USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 144 HIS :FLIP no HD1:sc= -0.311 F(o=-1.4,f=-0.2) USER MOD Set 1.2: A 148 CYS SG : rot 165:sc= 0.11 USER MOD Set 2.1: A 86 ASN : amide:sc= -2.05! C(o=-3.5!,f=-5.1!) USER MOD Set 2.2: A 95 THR OG1 : rot 31:sc= -1.45! USER MOD Set 3.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 42 HIS : no HE2:sc= 0.417 K(o=0.74,f=-1.5) USER MOD Set 4.2: A 44 THR OG1 : rot -143:sc= 0.324 USER MOD Single : A 11 CYS SG : rot 28:sc= -1.36 USER MOD Single : A 35 GLN : amide:sc= -0.125 K(o=-0.13,f=-3.1!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 59 THR OG1 : rot 83:sc= -3.71! USER MOD Single : A 64 THR OG1 : rot 81:sc= -6.32! USER MOD Single : A 65 GLN : amide:sc= -1.02 K(o=-1,f=-5.5!) USER MOD Single : A 74 GLN : amide:sc= -1.47! C(o=-1.5!,f=-7.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 173:sc= -1.37 USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= -0.0824 (180deg=-0.679) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 94:sc=0.000489 USER MOD Single : A 114 HIS : no HD1:sc= 0.135 K(o=0.14,f=-1.1) USER MOD Single : A 116 HIS : +bothHN:sc= -1.24 K(o=-1.2,f=-4.2!) USER MOD Single : A 117 GLN : amide:sc= -0.117 K(o=-0.12,f=-1) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.37 USER MOD Single : A 129 GLN : amide:sc= -7.25! C(o=-7.2!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -5.14! C(o=-8!,f=-5.1!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -152:sc= -0.703 (180deg=-2.84) USER MOD Single : A 137 LYS NZ :NH3+ 175:sc= -5.03! (180deg=-5.6!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.56 F(o=-3.6!,f=-0.56) USER MOD Single : A 145 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.744 -7.955 5.157 1.00 0.00 N ATOM 87 CA LEU A 8 6.503 -8.394 4.454 1.00 0.00 C ATOM 88 C LEU A 8 5.791 -7.177 3.856 1.00 0.00 C ATOM 89 O LEU A 8 5.702 -6.135 4.474 1.00 0.00 O ATOM 90 CB LEU A 8 5.562 -9.079 5.451 1.00 0.00 C ATOM 91 CG LEU A 8 6.379 -9.809 6.522 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.034 -8.788 7.450 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.454 -10.704 7.347 1.00 0.00 C ATOM 0 HA LEU A 8 6.772 -9.091 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.912 -8.339 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.917 -9.786 4.929 1.00 0.00 H new ATOM 0 HG LEU A 8 7.146 -10.414 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.615 -9.308 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.692 -8.140 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.263 -8.186 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.035 -11.224 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.690 -10.093 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.977 -11.435 6.694 1.00 0.00 H new ATOM 105 N ARG A 9 5.273 -7.304 2.665 1.00 0.00 N ATOM 106 CA ARG A 9 4.557 -6.155 2.042 1.00 0.00 C ATOM 107 C ARG A 9 3.113 -6.136 2.547 1.00 0.00 C ATOM 108 O ARG A 9 2.481 -7.164 2.676 1.00 0.00 O ATOM 109 CB ARG A 9 4.557 -6.310 0.519 1.00 0.00 C ATOM 110 CG ARG A 9 4.149 -4.985 -0.124 1.00 0.00 C ATOM 111 CD ARG A 9 4.032 -5.164 -1.641 1.00 0.00 C ATOM 112 NE ARG A 9 3.752 -3.845 -2.273 1.00 0.00 N ATOM 113 CZ ARG A 9 4.717 -2.983 -2.436 1.00 0.00 C ATOM 114 NH1 ARG A 9 5.932 -3.283 -2.064 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.469 -1.822 -2.974 1.00 0.00 N ATOM 0 H ARG A 9 5.314 -8.151 2.098 1.00 0.00 H new ATOM 0 HA ARG A 9 5.058 -5.225 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.547 -6.606 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.866 -7.099 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.197 -4.648 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.886 -4.216 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.955 -5.583 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.234 -5.869 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 9 2.806 -3.616 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.127 -4.192 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.686 -2.608 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.521 -1.588 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.223 -1.147 -3.102 1.00 0.00 H new ATOM 129 N ALA A 10 2.581 -4.981 2.840 1.00 0.00 N ATOM 130 CA ALA A 10 1.178 -4.922 3.338 1.00 0.00 C ATOM 131 C ALA A 10 0.531 -3.604 2.923 1.00 0.00 C ATOM 132 O ALA A 10 1.199 -2.611 2.711 1.00 0.00 O ATOM 133 CB ALA A 10 1.175 -5.011 4.861 1.00 0.00 C ATOM 0 H ALA A 10 3.054 -4.081 2.757 1.00 0.00 H new ATOM 0 HA ALA A 10 0.618 -5.754 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.149 -4.968 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.631 -5.951 5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.743 -4.178 5.275 1.00 0.00 H new ATOM 139 N CYS A 11 -0.767 -3.584 2.816 1.00 0.00 N ATOM 140 CA CYS A 11 -1.454 -2.325 2.430 1.00 0.00 C ATOM 141 C CYS A 11 -2.786 -2.218 3.171 1.00 0.00 C ATOM 142 O CYS A 11 -3.635 -3.082 3.077 1.00 0.00 O ATOM 143 CB CYS A 11 -1.713 -2.329 0.924 1.00 0.00 C ATOM 144 SG CYS A 11 -0.347 -1.500 0.073 1.00 0.00 S ATOM 0 H CYS A 11 -1.379 -4.383 2.979 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.824 -1.475 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.811 -3.353 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.653 -1.822 0.705 1.00 0.00 H new ATOM 0 HG CYS A 11 0.740 -1.623 0.775 1.00 0.00 H new ATOM 150 N GLY A 12 -2.981 -1.151 3.892 1.00 0.00 N ATOM 151 CA GLY A 12 -4.262 -0.960 4.628 1.00 0.00 C ATOM 152 C GLY A 12 -4.938 0.297 4.090 1.00 0.00 C ATOM 153 O GLY A 12 -4.398 0.974 3.238 1.00 0.00 O ATOM 0 H GLY A 12 -2.303 -0.397 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.910 -1.827 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.075 -0.863 5.697 1.00 0.00 H new ATOM 157 N LEU A 13 -6.110 0.624 4.563 1.00 0.00 N ATOM 158 CA LEU A 13 -6.778 1.846 4.038 1.00 0.00 C ATOM 159 C LEU A 13 -7.148 2.792 5.178 1.00 0.00 C ATOM 160 O LEU A 13 -7.973 2.477 6.013 1.00 0.00 O ATOM 161 CB LEU A 13 -8.074 1.450 3.309 1.00 0.00 C ATOM 162 CG LEU A 13 -8.009 1.874 1.837 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.386 1.723 1.187 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.572 3.336 1.734 1.00 0.00 C ATOM 0 H LEU A 13 -6.625 0.108 5.277 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.087 2.345 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.223 0.372 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.930 1.921 3.793 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.289 1.237 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.330 2.026 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.704 0.682 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.106 2.353 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.528 3.630 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.289 3.968 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.587 3.454 2.185 1.00 0.00 H new ATOM 176 N ILE A 14 -6.598 3.977 5.189 1.00 0.00 N ATOM 177 CA ILE A 14 -6.996 4.943 6.240 1.00 0.00 C ATOM 178 C ILE A 14 -8.255 5.626 5.732 1.00 0.00 C ATOM 179 O ILE A 14 -8.230 6.405 4.802 1.00 0.00 O ATOM 180 CB ILE A 14 -5.883 5.964 6.500 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.718 5.257 7.196 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.408 7.082 7.402 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.545 6.224 7.364 1.00 0.00 C ATOM 0 H ILE A 14 -5.900 4.310 4.523 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.177 4.439 7.189 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.550 6.393 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.037 4.886 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.406 4.391 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.614 7.806 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.247 7.579 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.738 6.659 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.720 5.713 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.219 6.574 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.859 7.076 7.967 1.00 0.00 H new ATOM 195 N ILE A 15 -9.365 5.281 6.300 1.00 0.00 N ATOM 196 CA ILE A 15 -10.657 5.832 5.832 1.00 0.00 C ATOM 197 C ILE A 15 -11.073 7.025 6.681 1.00 0.00 C ATOM 198 O ILE A 15 -10.903 7.036 7.882 1.00 0.00 O ATOM 199 CB ILE A 15 -11.686 4.715 5.947 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.314 3.604 4.964 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.092 5.224 5.642 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.017 2.308 5.358 1.00 0.00 C ATOM 0 H ILE A 15 -9.435 4.630 7.082 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.574 6.181 4.803 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.683 4.336 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.600 3.890 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.234 3.456 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.804 4.403 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.355 6.012 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.123 5.621 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.748 1.520 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.709 2.018 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.096 2.459 5.339 1.00 0.00 H new ATOM 214 N PHE A 16 -11.615 8.032 6.056 1.00 0.00 N ATOM 215 CA PHE A 16 -12.046 9.232 6.811 1.00 0.00 C ATOM 216 C PHE A 16 -13.385 9.733 6.268 1.00 0.00 C ATOM 217 O PHE A 16 -13.503 10.071 5.108 1.00 0.00 O ATOM 218 CB PHE A 16 -10.994 10.325 6.642 1.00 0.00 C ATOM 219 CG PHE A 16 -10.954 10.767 5.197 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.172 10.062 4.274 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.696 11.880 4.781 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.133 10.470 2.933 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.659 12.286 3.440 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.878 11.581 2.517 1.00 0.00 C ATOM 0 H PHE A 16 -11.777 8.072 5.050 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.159 8.979 7.865 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.228 11.173 7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.016 9.953 6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.599 9.204 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.297 12.425 5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.529 9.928 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.233 13.143 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.850 11.894 1.484 1.00 0.00 H new ATOM 234 N ARG A 17 -14.391 9.811 7.097 1.00 0.00 N ATOM 235 CA ARG A 17 -15.706 10.319 6.612 1.00 0.00 C ATOM 236 C ARG A 17 -15.675 11.845 6.642 1.00 0.00 C ATOM 237 O ARG A 17 -15.559 12.452 7.688 1.00 0.00 O ATOM 238 CB ARG A 17 -16.828 9.812 7.523 1.00 0.00 C ATOM 239 CG ARG A 17 -18.182 10.342 7.025 1.00 0.00 C ATOM 240 CD ARG A 17 -18.677 9.498 5.848 1.00 0.00 C ATOM 241 NE ARG A 17 -19.938 10.081 5.311 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.899 11.140 4.547 1.00 0.00 C ATOM 243 NH1 ARG A 17 -18.752 11.691 4.260 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.002 11.645 4.072 1.00 0.00 N ATOM 0 H ARG A 17 -14.360 9.547 8.082 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.889 9.965 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.835 8.722 7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.653 10.140 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.912 10.315 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.083 11.384 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.918 9.465 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.848 8.471 6.170 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.835 9.652 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.889 11.295 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.718 12.518 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.899 11.214 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.969 12.472 3.476 1.00 0.00 H new ATOM 258 N ARG A 18 -15.772 12.472 5.505 1.00 0.00 N ATOM 259 CA ARG A 18 -15.741 13.958 5.471 1.00 0.00 C ATOM 260 C ARG A 18 -17.166 14.509 5.454 1.00 0.00 C ATOM 261 O ARG A 18 -18.031 14.006 4.765 1.00 0.00 O ATOM 262 CB ARG A 18 -14.992 14.419 4.220 1.00 0.00 C ATOM 263 CG ARG A 18 -14.897 15.944 4.207 1.00 0.00 C ATOM 264 CD ARG A 18 -13.956 16.380 3.087 1.00 0.00 C ATOM 265 NE ARG A 18 -14.482 15.897 1.780 1.00 0.00 N ATOM 266 CZ ARG A 18 -13.750 16.001 0.703 1.00 0.00 C ATOM 267 NH1 ARG A 18 -12.561 16.531 0.773 1.00 0.00 N ATOM 268 NH2 ARG A 18 -14.208 15.575 -0.441 1.00 0.00 N ATOM 0 H ARG A 18 -15.872 12.019 4.597 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.230 14.330 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.993 13.983 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.509 14.070 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.885 16.380 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.530 16.305 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.866 17.466 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.957 15.979 3.260 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.414 15.485 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.203 16.864 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.989 16.613 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.138 15.160 -0.495 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.636 15.656 -1.282 1.00 0.00 H new ATOM 434 N ILE A 29 -13.935 15.583 10.691 1.00 0.00 N ATOM 435 CA ILE A 29 -13.584 14.311 10.000 1.00 0.00 C ATOM 436 C ILE A 29 -13.376 13.183 11.011 1.00 0.00 C ATOM 437 O ILE A 29 -12.790 13.365 12.057 1.00 0.00 O ATOM 438 CB ILE A 29 -12.301 14.508 9.196 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.610 15.352 7.960 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.753 13.148 8.765 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.336 16.044 7.477 1.00 0.00 C ATOM 0 HA ILE A 29 -14.405 14.039 9.337 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.557 15.016 9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.015 14.721 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.372 16.095 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.837 13.290 8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.538 12.546 9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.492 12.637 8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.560 16.645 6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.950 16.688 8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.588 15.293 7.223 1.00 0.00 H new ATOM 453 N GLU A 30 -13.840 12.011 10.679 1.00 0.00 N ATOM 454 CA GLU A 30 -13.663 10.839 11.584 1.00 0.00 C ATOM 455 C GLU A 30 -13.009 9.712 10.786 1.00 0.00 C ATOM 456 O GLU A 30 -13.071 9.698 9.574 1.00 0.00 O ATOM 457 CB GLU A 30 -15.024 10.379 12.114 1.00 0.00 C ATOM 458 CG GLU A 30 -15.656 11.503 12.935 1.00 0.00 C ATOM 459 CD GLU A 30 -16.962 11.007 13.556 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.512 11.718 14.380 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.391 9.923 13.196 1.00 0.00 O ATOM 0 H GLU A 30 -14.339 11.812 9.812 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.035 11.112 12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.677 10.108 11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.904 9.487 12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.969 11.827 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.848 12.368 12.300 1.00 0.00 H new ATOM 469 N PHE A 31 -12.373 8.779 11.440 1.00 0.00 N ATOM 470 CA PHE A 31 -11.708 7.677 10.687 1.00 0.00 C ATOM 471 C PHE A 31 -12.327 6.329 11.055 1.00 0.00 C ATOM 472 O PHE A 31 -12.835 6.142 12.142 1.00 0.00 O ATOM 473 CB PHE A 31 -10.216 7.655 11.030 1.00 0.00 C ATOM 474 CG PHE A 31 -9.585 8.971 10.641 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.137 9.177 9.330 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.450 9.987 11.593 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.557 10.399 8.974 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.867 11.209 11.236 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.422 11.414 9.926 1.00 0.00 C ATOM 0 H PHE A 31 -12.285 8.731 12.455 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.844 7.850 9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.081 7.477 12.097 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.724 6.836 10.505 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.239 8.393 8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.796 9.829 12.604 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.213 10.559 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.761 11.993 11.972 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.974 12.357 9.650 1.00 0.00 H new ATOM 489 N LEU A 32 -12.273 5.378 10.157 1.00 0.00 N ATOM 490 CA LEU A 32 -12.840 4.033 10.460 1.00 0.00 C ATOM 491 C LEU A 32 -11.802 3.232 11.240 1.00 0.00 C ATOM 492 O LEU A 32 -10.667 3.098 10.828 1.00 0.00 O ATOM 493 CB LEU A 32 -13.177 3.297 9.158 1.00 0.00 C ATOM 494 CG LEU A 32 -13.604 1.861 9.480 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.780 1.880 10.455 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.030 1.153 8.192 1.00 0.00 C ATOM 0 H LEU A 32 -11.861 5.476 9.229 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.752 4.145 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.977 3.816 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.311 3.291 8.496 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.765 1.330 9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.081 0.857 10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.482 2.383 11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.617 2.413 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.334 0.132 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.867 1.688 7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.194 1.135 7.493 1.00 0.00 H new ATOM 508 N LEU A 33 -12.183 2.704 12.367 1.00 0.00 N ATOM 509 CA LEU A 33 -11.220 1.915 13.183 1.00 0.00 C ATOM 510 C LEU A 33 -11.817 0.553 13.524 1.00 0.00 C ATOM 511 O LEU A 33 -12.960 0.443 13.913 1.00 0.00 O ATOM 512 CB LEU A 33 -10.909 2.676 14.471 1.00 0.00 C ATOM 513 CG LEU A 33 -9.739 3.631 14.231 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.716 4.699 15.324 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.427 2.842 14.264 1.00 0.00 C ATOM 0 H LEU A 33 -13.121 2.784 12.760 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.303 1.766 12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.787 3.234 14.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.662 1.976 15.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.855 4.111 13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.881 5.379 15.151 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.651 5.260 15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.600 4.221 16.297 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.591 3.520 14.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.314 2.364 15.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.441 2.080 13.485 1.00 0.00 H new ATOM 527 N LEU A 34 -11.043 -0.487 13.382 1.00 0.00 N ATOM 528 CA LEU A 34 -11.554 -1.849 13.698 1.00 0.00 C ATOM 529 C LEU A 34 -10.893 -2.346 14.989 1.00 0.00 C ATOM 530 O LEU A 34 -9.725 -2.119 15.226 1.00 0.00 O ATOM 531 CB LEU A 34 -11.217 -2.787 12.538 1.00 0.00 C ATOM 532 CG LEU A 34 -11.747 -2.180 11.235 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.446 -3.120 10.067 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.258 -1.987 11.346 1.00 0.00 C ATOM 0 H LEU A 34 -10.076 -0.452 13.060 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.635 -1.825 13.838 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.139 -2.934 12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.663 -3.768 12.705 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.262 -1.219 11.062 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.825 -2.684 9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.369 -3.265 9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.930 -4.081 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.639 -1.555 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.736 -2.951 11.520 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.479 -1.317 12.177 1.00 0.00 H new ATOM 546 N GLN A 35 -11.635 -3.018 15.830 1.00 0.00 N ATOM 547 CA GLN A 35 -11.049 -3.520 17.108 1.00 0.00 C ATOM 548 C GLN A 35 -10.246 -4.793 16.835 1.00 0.00 C ATOM 549 O GLN A 35 -10.634 -5.622 16.039 1.00 0.00 O ATOM 550 CB GLN A 35 -12.177 -3.823 18.095 1.00 0.00 C ATOM 551 CG GLN A 35 -11.591 -4.069 19.487 1.00 0.00 C ATOM 552 CD GLN A 35 -12.721 -4.370 20.474 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.881 -4.199 20.158 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.427 -4.817 21.663 1.00 0.00 N ATOM 0 H GLN A 35 -12.620 -3.241 15.687 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.389 -2.763 17.532 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.879 -2.990 18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.737 -4.698 17.765 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.890 -4.903 19.455 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.030 -3.194 19.816 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.452 -4.960 21.927 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.172 -5.023 22.329 1.00 0.00 H new ATOM 641 N HIS A 42 -5.928 -3.112 20.514 1.00 0.00 N ATOM 642 CA HIS A 42 -5.547 -1.833 19.858 1.00 0.00 C ATOM 643 C HIS A 42 -6.448 -1.609 18.646 1.00 0.00 C ATOM 644 O HIS A 42 -6.999 -2.540 18.092 1.00 0.00 O ATOM 645 CB HIS A 42 -4.086 -1.903 19.403 1.00 0.00 C ATOM 646 CG HIS A 42 -3.988 -2.739 18.159 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.253 -4.101 18.161 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.655 -2.423 16.865 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.075 -4.551 16.905 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.710 -3.566 16.079 1.00 0.00 N ATOM 0 HA HIS A 42 -5.664 -1.010 20.563 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.706 -0.900 19.211 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.468 -2.332 20.192 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.532 -4.660 18.968 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.391 -1.437 16.513 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.210 -5.579 16.603 1.00 0.00 H new ATOM 659 N TRP A 43 -6.617 -0.385 18.234 1.00 0.00 N ATOM 660 CA TRP A 43 -7.501 -0.110 17.067 1.00 0.00 C ATOM 661 C TRP A 43 -6.655 0.231 15.839 1.00 0.00 C ATOM 662 O TRP A 43 -5.690 0.963 15.918 1.00 0.00 O ATOM 663 CB TRP A 43 -8.411 1.067 17.401 1.00 0.00 C ATOM 664 CG TRP A 43 -9.239 0.726 18.599 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.786 0.699 19.873 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.647 0.363 18.658 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.828 0.346 20.711 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.995 0.126 20.010 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.646 0.215 17.681 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.289 -0.242 20.378 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.949 -0.157 18.049 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.270 -0.385 19.395 1.00 0.00 C ATOM 0 H TRP A 43 -6.182 0.437 18.654 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.101 -0.994 16.849 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.815 1.958 17.598 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.055 1.296 16.552 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.775 0.917 20.185 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.744 0.259 21.724 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.410 0.388 16.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.530 -0.415 21.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.709 -0.268 17.290 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.274 -0.671 19.671 1.00 0.00 H new ATOM 683 N THR A 44 -7.020 -0.291 14.700 1.00 0.00 N ATOM 684 CA THR A 44 -6.248 0.005 13.460 1.00 0.00 C ATOM 685 C THR A 44 -7.169 -0.150 12.246 1.00 0.00 C ATOM 686 O THR A 44 -8.114 -0.915 12.271 1.00 0.00 O ATOM 687 CB THR A 44 -5.079 -0.978 13.340 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.309 -2.088 14.194 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.776 -0.285 13.740 1.00 0.00 C ATOM 0 H THR A 44 -7.821 -0.910 14.575 1.00 0.00 H new ATOM 0 HA THR A 44 -5.862 1.024 13.502 1.00 0.00 H new ATOM 0 HB THR A 44 -4.999 -1.321 12.308 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.459 -2.385 14.581 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.948 -0.989 13.653 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.600 0.566 13.082 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.850 0.062 14.771 1.00 0.00 H new ATOM 697 N PRO A 45 -6.892 0.562 11.187 1.00 0.00 N ATOM 698 CA PRO A 45 -7.703 0.493 9.938 1.00 0.00 C ATOM 699 C PRO A 45 -7.561 -0.865 9.243 1.00 0.00 C ATOM 700 O PRO A 45 -6.680 -1.636 9.556 1.00 0.00 O ATOM 701 CB PRO A 45 -7.136 1.613 9.059 1.00 0.00 C ATOM 702 CG PRO A 45 -5.766 1.890 9.586 1.00 0.00 C ATOM 703 CD PRO A 45 -5.774 1.511 11.065 1.00 0.00 C ATOM 0 HA PRO A 45 -8.768 0.609 10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.098 1.308 8.013 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.762 2.504 9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.019 1.311 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.509 2.941 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.830 1.056 11.365 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.922 2.385 11.700 1.00 0.00 H new ATOM 711 N PRO A 46 -8.428 -1.160 8.313 1.00 0.00 N ATOM 712 CA PRO A 46 -8.393 -2.451 7.569 1.00 0.00 C ATOM 713 C PRO A 46 -6.987 -2.811 7.076 1.00 0.00 C ATOM 714 O PRO A 46 -6.577 -2.417 6.003 1.00 0.00 O ATOM 715 CB PRO A 46 -9.325 -2.206 6.381 1.00 0.00 C ATOM 716 CG PRO A 46 -10.277 -1.153 6.837 1.00 0.00 C ATOM 717 CD PRO A 46 -9.535 -0.299 7.867 1.00 0.00 C ATOM 0 HA PRO A 46 -8.693 -3.286 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.766 -1.878 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.852 -3.118 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.609 -0.543 5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.168 -1.602 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.167 0.628 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.184 -0.021 8.697 1.00 0.00 H new ATOM 725 N LYS A 47 -6.247 -3.566 7.845 1.00 0.00 N ATOM 726 CA LYS A 47 -4.875 -3.954 7.406 1.00 0.00 C ATOM 727 C LYS A 47 -4.924 -5.328 6.734 1.00 0.00 C ATOM 728 O LYS A 47 -5.584 -6.235 7.201 1.00 0.00 O ATOM 729 CB LYS A 47 -3.932 -4.016 8.613 1.00 0.00 C ATOM 730 CG LYS A 47 -3.722 -2.612 9.179 1.00 0.00 C ATOM 731 CD LYS A 47 -2.562 -2.629 10.179 1.00 0.00 C ATOM 732 CE LYS A 47 -2.967 -3.420 11.426 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.164 -4.673 11.501 1.00 0.00 N ATOM 0 H LYS A 47 -6.532 -3.929 8.754 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.506 -3.210 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.350 -4.668 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.975 -4.445 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.509 -1.912 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.632 -2.266 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.681 -3.079 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.292 -1.610 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.806 -2.818 12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.030 -3.658 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.438 -5.211 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.339 -5.249 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.153 -4.435 11.555 1.00 0.00 H new ATOM 747 N GLY A 48 -4.227 -5.489 5.643 1.00 0.00 N ATOM 748 CA GLY A 48 -4.224 -6.805 4.943 1.00 0.00 C ATOM 749 C GLY A 48 -2.874 -7.002 4.254 1.00 0.00 C ATOM 750 O GLY A 48 -2.006 -6.155 4.319 1.00 0.00 O ATOM 0 H GLY A 48 -3.658 -4.764 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.404 -7.610 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.030 -6.843 4.210 1.00 0.00 H new ATOM 754 N HIS A 49 -2.688 -8.112 3.592 1.00 0.00 N ATOM 755 CA HIS A 49 -1.392 -8.359 2.899 1.00 0.00 C ATOM 756 C HIS A 49 -1.611 -8.350 1.387 1.00 0.00 C ATOM 757 O HIS A 49 -2.605 -8.841 0.891 1.00 0.00 O ATOM 758 CB HIS A 49 -0.826 -9.714 3.334 1.00 0.00 C ATOM 759 CG HIS A 49 -0.392 -9.632 4.770 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.235 -9.966 5.821 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.794 -9.247 5.347 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.552 -9.776 6.966 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.687 -9.339 6.730 1.00 0.00 N ATOM 0 H HIS A 49 -3.378 -8.858 3.501 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.684 -7.574 3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.580 -10.492 3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.018 -9.988 2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.673 -8.923 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.956 -9.955 7.952 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.405 -9.119 7.420 1.00 0.00 H new ATOM 772 N VAL A 50 -0.697 -7.779 0.652 1.00 0.00 N ATOM 773 CA VAL A 50 -0.856 -7.719 -0.827 1.00 0.00 C ATOM 774 C VAL A 50 -0.250 -8.967 -1.474 1.00 0.00 C ATOM 775 O VAL A 50 0.860 -9.361 -1.179 1.00 0.00 O ATOM 776 CB VAL A 50 -0.155 -6.461 -1.359 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.687 -5.835 -0.247 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.750 -6.822 -2.542 1.00 0.00 C ATOM 0 H VAL A 50 0.155 -7.350 1.014 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.917 -7.679 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.910 -5.749 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.184 -4.942 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.042 -5.564 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.436 -6.552 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.242 -5.922 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.503 -7.541 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.149 -7.260 -3.339 1.00 0.00 H new ATOM 788 N GLU A 51 -0.977 -9.581 -2.370 1.00 0.00 N ATOM 789 CA GLU A 51 -0.462 -10.793 -3.066 1.00 0.00 C ATOM 790 C GLU A 51 0.775 -10.388 -3.885 1.00 0.00 C ATOM 791 O GLU A 51 1.236 -9.267 -3.784 1.00 0.00 O ATOM 792 CB GLU A 51 -1.569 -11.328 -3.986 1.00 0.00 C ATOM 793 CG GLU A 51 -1.885 -12.797 -3.662 1.00 0.00 C ATOM 794 CD GLU A 51 -3.064 -12.862 -2.691 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.852 -12.612 -1.516 1.00 0.00 O ATOM 796 OE2 GLU A 51 -4.159 -13.162 -3.140 1.00 0.00 O ATOM 0 H GLU A 51 -1.914 -9.291 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.182 -11.571 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.469 -10.724 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.258 -11.239 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.123 -13.339 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.012 -13.280 -3.223 1.00 0.00 H new ATOM 804 N PRO A 52 1.321 -11.270 -4.684 1.00 0.00 N ATOM 805 CA PRO A 52 2.526 -10.953 -5.504 1.00 0.00 C ATOM 806 C PRO A 52 2.180 -10.086 -6.718 1.00 0.00 C ATOM 807 O PRO A 52 2.575 -8.940 -6.807 1.00 0.00 O ATOM 808 CB PRO A 52 3.036 -12.322 -5.947 1.00 0.00 C ATOM 809 CG PRO A 52 1.835 -13.211 -5.948 1.00 0.00 C ATOM 810 CD PRO A 52 0.868 -12.656 -4.899 1.00 0.00 C ATOM 0 HA PRO A 52 3.264 -10.380 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.488 -12.271 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.801 -12.696 -5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.368 -13.228 -6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.114 -14.237 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.163 -12.687 -5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.907 -13.235 -3.976 1.00 0.00 H new ATOM 818 N GLY A 53 1.438 -10.619 -7.648 1.00 0.00 N ATOM 819 CA GLY A 53 1.059 -9.822 -8.848 1.00 0.00 C ATOM 820 C GLY A 53 -0.145 -8.942 -8.507 1.00 0.00 C ATOM 821 O GLY A 53 -0.846 -8.465 -9.374 1.00 0.00 O ATOM 0 H GLY A 53 1.077 -11.573 -7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.897 -9.204 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.816 -10.485 -9.678 1.00 0.00 H new ATOM 825 N GLU A 54 -0.391 -8.734 -7.242 1.00 0.00 N ATOM 826 CA GLU A 54 -1.553 -7.894 -6.829 1.00 0.00 C ATOM 827 C GLU A 54 -1.119 -6.432 -6.702 1.00 0.00 C ATOM 828 O GLU A 54 0.024 -6.137 -6.411 1.00 0.00 O ATOM 829 CB GLU A 54 -2.075 -8.384 -5.481 1.00 0.00 C ATOM 830 CG GLU A 54 -3.367 -7.645 -5.134 1.00 0.00 C ATOM 831 CD GLU A 54 -3.816 -8.031 -3.724 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.898 -7.620 -3.335 1.00 0.00 O ATOM 833 OE2 GLU A 54 -3.073 -8.726 -3.053 1.00 0.00 O ATOM 0 H GLU A 54 0.164 -9.111 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.338 -7.972 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.257 -9.458 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.327 -8.214 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.209 -6.568 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.145 -7.894 -5.855 1.00 0.00 H new ATOM 841 N ASP A 55 -2.023 -5.516 -6.922 1.00 0.00 N ATOM 842 CA ASP A 55 -1.667 -4.072 -6.817 1.00 0.00 C ATOM 843 C ASP A 55 -1.517 -3.671 -5.355 1.00 0.00 C ATOM 844 O ASP A 55 -1.982 -4.345 -4.455 1.00 0.00 O ATOM 845 CB ASP A 55 -2.765 -3.216 -7.435 1.00 0.00 C ATOM 846 CG ASP A 55 -2.276 -1.770 -7.545 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.705 -1.437 -8.570 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.472 -1.025 -6.599 1.00 0.00 O ATOM 0 H ASP A 55 -2.994 -5.706 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.726 -3.915 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.029 -3.599 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.666 -3.262 -6.823 1.00 0.00 H new ATOM 854 N ASP A 56 -0.875 -2.566 -5.116 1.00 0.00 N ATOM 855 CA ASP A 56 -0.694 -2.092 -3.717 1.00 0.00 C ATOM 856 C ASP A 56 -2.020 -1.534 -3.188 1.00 0.00 C ATOM 857 O ASP A 56 -2.492 -1.916 -2.135 1.00 0.00 O ATOM 858 CB ASP A 56 0.363 -0.988 -3.695 1.00 0.00 C ATOM 859 CG ASP A 56 1.708 -1.559 -4.142 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.859 -2.769 -4.105 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.564 -0.776 -4.520 1.00 0.00 O ATOM 0 H ASP A 56 -0.465 -1.966 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.374 -2.923 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.065 -0.172 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.448 -0.572 -2.691 1.00 0.00 H new ATOM 867 N LEU A 57 -2.617 -0.624 -3.911 1.00 0.00 N ATOM 868 CA LEU A 57 -3.904 -0.026 -3.453 1.00 0.00 C ATOM 869 C LEU A 57 -5.021 -1.074 -3.476 1.00 0.00 C ATOM 870 O LEU A 57 -5.814 -1.159 -2.562 1.00 0.00 O ATOM 871 CB LEU A 57 -4.276 1.140 -4.372 1.00 0.00 C ATOM 872 CG LEU A 57 -5.634 1.713 -3.961 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.581 2.184 -2.507 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.976 2.898 -4.864 1.00 0.00 C ATOM 0 H LEU A 57 -2.268 -0.269 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.783 0.332 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.512 1.916 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.313 0.801 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.396 0.940 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.551 2.591 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.336 1.342 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.819 2.956 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.943 3.309 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.210 3.666 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.019 2.565 -5.901 1.00 0.00 H new ATOM 886 N GLU A 58 -5.094 -1.870 -4.506 1.00 0.00 N ATOM 887 CA GLU A 58 -6.175 -2.897 -4.570 1.00 0.00 C ATOM 888 C GLU A 58 -6.122 -3.754 -3.310 1.00 0.00 C ATOM 889 O GLU A 58 -7.139 -4.095 -2.741 1.00 0.00 O ATOM 890 CB GLU A 58 -5.975 -3.783 -5.799 1.00 0.00 C ATOM 891 CG GLU A 58 -6.362 -3.008 -7.064 1.00 0.00 C ATOM 892 CD GLU A 58 -5.889 -1.555 -6.959 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.719 -1.347 -6.688 1.00 0.00 O ATOM 894 OE2 GLU A 58 -6.709 -0.673 -7.155 1.00 0.00 O ATOM 0 H GLU A 58 -4.457 -1.856 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.144 -2.403 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.935 -4.105 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.583 -4.684 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.917 -3.481 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.443 -3.037 -7.201 1.00 0.00 H new ATOM 902 N THR A 59 -4.949 -4.083 -2.846 1.00 0.00 N ATOM 903 CA THR A 59 -4.862 -4.889 -1.602 1.00 0.00 C ATOM 904 C THR A 59 -5.551 -4.104 -0.492 1.00 0.00 C ATOM 905 O THR A 59 -6.292 -4.649 0.302 1.00 0.00 O ATOM 906 CB THR A 59 -3.394 -5.144 -1.254 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.813 -5.938 -2.277 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.295 -5.873 0.089 1.00 0.00 C ATOM 0 H THR A 59 -4.057 -3.831 -3.271 1.00 0.00 H new ATOM 0 HA THR A 59 -5.349 -5.856 -1.730 1.00 0.00 H new ATOM 0 HB THR A 59 -2.864 -4.195 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.535 -5.362 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.247 -6.051 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.748 -5.261 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.820 -6.826 0.025 1.00 0.00 H new ATOM 916 N ALA A 60 -5.340 -2.817 -0.452 1.00 0.00 N ATOM 917 CA ALA A 60 -6.016 -1.991 0.580 1.00 0.00 C ATOM 918 C ALA A 60 -7.516 -2.000 0.283 1.00 0.00 C ATOM 919 O ALA A 60 -8.338 -2.119 1.169 1.00 0.00 O ATOM 920 CB ALA A 60 -5.487 -0.557 0.520 1.00 0.00 C ATOM 0 H ALA A 60 -4.730 -2.305 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.823 -2.393 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.985 0.047 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.413 -0.557 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.686 -0.137 -0.466 1.00 0.00 H new ATOM 926 N LEU A 61 -7.872 -1.890 -0.971 1.00 0.00 N ATOM 927 CA LEU A 61 -9.314 -1.906 -1.352 1.00 0.00 C ATOM 928 C LEU A 61 -9.937 -3.231 -0.918 1.00 0.00 C ATOM 929 O LEU A 61 -10.953 -3.270 -0.254 1.00 0.00 O ATOM 930 CB LEU A 61 -9.417 -1.800 -2.871 1.00 0.00 C ATOM 931 CG LEU A 61 -8.789 -0.495 -3.347 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.858 -0.443 -4.872 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.554 0.689 -2.753 1.00 0.00 C ATOM 0 H LEU A 61 -7.222 -1.789 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.832 -1.076 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.914 -2.647 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.462 -1.843 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.749 -0.443 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.412 0.487 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.313 -1.289 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.899 -0.489 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.104 1.621 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.594 0.649 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.510 0.642 -1.665 1.00 0.00 H new ATOM 945 N ARG A 62 -9.326 -4.319 -1.296 1.00 0.00 N ATOM 946 CA ARG A 62 -9.866 -5.654 -0.918 1.00 0.00 C ATOM 947 C ARG A 62 -9.875 -5.795 0.604 1.00 0.00 C ATOM 948 O ARG A 62 -10.825 -6.270 1.189 1.00 0.00 O ATOM 949 CB ARG A 62 -8.980 -6.742 -1.529 1.00 0.00 C ATOM 950 CG ARG A 62 -9.588 -8.118 -1.253 1.00 0.00 C ATOM 951 CD ARG A 62 -8.643 -9.202 -1.769 1.00 0.00 C ATOM 952 NE ARG A 62 -9.291 -10.535 -1.624 1.00 0.00 N ATOM 953 CZ ARG A 62 -10.059 -10.994 -2.573 1.00 0.00 C ATOM 954 NH1 ARG A 62 -10.260 -10.290 -3.653 1.00 0.00 N ATOM 955 NH2 ARG A 62 -10.627 -12.165 -2.443 1.00 0.00 N ATOM 0 H ARG A 62 -8.472 -4.341 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.885 -5.756 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.884 -6.585 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.976 -6.686 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.757 -8.246 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.559 -8.204 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.397 -9.017 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.706 -9.178 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.134 -11.089 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.816 -9.378 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.861 -10.652 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.469 -12.718 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.228 -12.525 -3.184 1.00 0.00 H new ATOM 969 N ALA A 63 -8.819 -5.384 1.250 1.00 0.00 N ATOM 970 CA ALA A 63 -8.769 -5.494 2.735 1.00 0.00 C ATOM 971 C ALA A 63 -9.805 -4.553 3.350 1.00 0.00 C ATOM 972 O ALA A 63 -10.384 -4.837 4.379 1.00 0.00 O ATOM 973 CB ALA A 63 -7.372 -5.105 3.230 1.00 0.00 C ATOM 0 H ALA A 63 -7.991 -4.978 0.815 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.987 -6.520 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.335 -5.185 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.631 -5.774 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.154 -4.079 2.935 1.00 0.00 H new ATOM 979 N THR A 64 -10.035 -3.431 2.728 1.00 0.00 N ATOM 980 CA THR A 64 -11.021 -2.456 3.273 1.00 0.00 C ATOM 981 C THR A 64 -12.405 -3.100 3.372 1.00 0.00 C ATOM 982 O THR A 64 -13.076 -3.003 4.381 1.00 0.00 O ATOM 983 CB THR A 64 -11.093 -1.252 2.336 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.790 -0.713 2.171 1.00 0.00 O ATOM 985 CG2 THR A 64 -12.015 -0.192 2.929 1.00 0.00 C ATOM 0 H THR A 64 -9.580 -3.146 1.861 1.00 0.00 H new ATOM 0 HA THR A 64 -10.705 -2.144 4.268 1.00 0.00 H new ATOM 0 HB THR A 64 -11.486 -1.565 1.369 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.298 -1.243 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.063 0.665 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.014 -0.609 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.628 0.127 3.897 1.00 0.00 H new ATOM 993 N GLN A 65 -12.846 -3.750 2.331 1.00 0.00 N ATOM 994 CA GLN A 65 -14.191 -4.388 2.368 1.00 0.00 C ATOM 995 C GLN A 65 -14.125 -5.726 3.111 1.00 0.00 C ATOM 996 O GLN A 65 -15.038 -6.093 3.823 1.00 0.00 O ATOM 997 CB GLN A 65 -14.692 -4.594 0.935 1.00 0.00 C ATOM 998 CG GLN A 65 -15.348 -5.971 0.803 1.00 0.00 C ATOM 999 CD GLN A 65 -16.104 -6.050 -0.527 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.203 -5.071 -1.240 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.650 -7.179 -0.889 1.00 0.00 N ATOM 0 H GLN A 65 -12.333 -3.867 1.457 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.885 -3.738 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.408 -3.814 0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.861 -4.509 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.590 -6.753 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.033 -6.141 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.567 -8.001 -0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.160 -7.239 -1.770 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.061 -6.464 2.952 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.961 -7.776 3.652 1.00 0.00 C ATOM 1012 C GLU A 66 -12.960 -7.565 5.171 1.00 0.00 C ATOM 1013 O GLU A 66 -13.547 -8.329 5.910 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.668 -8.477 3.235 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.780 -8.941 1.782 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.861 -10.018 1.671 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.303 -10.275 0.564 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.227 -10.567 2.697 1.00 0.00 O ATOM 0 H GLU A 66 -12.260 -6.217 2.371 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.818 -8.391 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.823 -7.798 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.479 -9.331 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.025 -8.097 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.823 -9.335 1.440 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.301 -6.543 5.647 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.266 -6.307 7.119 1.00 0.00 C ATOM 1028 C GLU A 67 -13.233 -5.184 7.501 1.00 0.00 C ATOM 1029 O GLU A 67 -13.304 -4.782 8.646 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.847 -5.918 7.542 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.884 -7.059 7.207 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.483 -6.709 7.713 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.619 -7.568 7.648 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.298 -5.587 8.157 1.00 0.00 O ATOM 0 H GLU A 67 -11.788 -5.865 5.084 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.566 -7.223 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.540 -5.006 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.820 -5.707 8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.227 -7.986 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.862 -7.226 6.130 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.980 -4.669 6.563 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.932 -3.573 6.899 1.00 0.00 C ATOM 1044 C ALA A 68 -16.182 -3.677 6.024 1.00 0.00 C ATOM 1045 O ALA A 68 -17.246 -3.234 6.396 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.263 -2.218 6.660 1.00 0.00 C ATOM 0 H ALA A 68 -13.973 -4.957 5.585 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.216 -3.663 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.962 -1.419 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.378 -2.133 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.972 -2.135 5.613 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.063 -4.249 4.862 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.253 -4.368 3.975 1.00 0.00 C ATOM 1054 C GLY A 69 -17.327 -3.156 3.051 1.00 0.00 C ATOM 1055 O GLY A 69 -18.154 -3.089 2.166 1.00 0.00 O ATOM 0 H GLY A 69 -15.198 -4.638 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.190 -5.283 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.161 -4.436 4.575 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.470 -2.191 3.249 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.509 -0.991 2.375 1.00 0.00 C ATOM 1061 C ILE A 70 -15.474 -1.153 1.257 1.00 0.00 C ATOM 1062 O ILE A 70 -14.331 -1.485 1.498 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.194 0.260 3.193 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.998 0.253 4.499 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.601 1.484 2.375 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.326 1.161 5.533 1.00 0.00 C ATOM 0 H ILE A 70 -15.751 -2.184 3.973 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.504 -0.887 1.943 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.130 0.284 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -18.016 0.594 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.069 -0.763 4.887 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.384 2.389 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.042 1.499 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.668 1.439 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.904 1.150 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.317 0.801 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.279 2.179 5.147 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.875 -0.931 0.033 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.927 -1.085 -1.110 1.00 0.00 C ATOM 1080 C GLU A 71 -14.674 0.269 -1.776 1.00 0.00 C ATOM 1081 O GLU A 71 -15.353 1.240 -1.516 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.519 -2.073 -2.122 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.928 -1.837 -3.514 1.00 0.00 C ATOM 1084 CD GLU A 71 -15.527 -2.842 -4.498 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.127 -2.824 -5.650 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -16.378 -3.612 -4.084 1.00 0.00 O ATOM 0 H GLU A 71 -16.821 -0.649 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.975 -1.468 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.315 -3.095 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.603 -1.960 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.139 -0.819 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.844 -1.944 -3.483 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.690 0.334 -2.632 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.375 1.620 -3.322 1.00 0.00 C ATOM 1096 C ALA A 72 -14.655 2.217 -3.898 1.00 0.00 C ATOM 1097 O ALA A 72 -14.872 3.409 -3.842 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.368 1.364 -4.442 1.00 0.00 C ATOM 0 H ALA A 72 -13.088 -0.450 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.944 2.322 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.138 2.303 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.454 0.945 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.792 0.662 -5.159 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.516 1.400 -4.426 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.789 1.932 -4.976 1.00 0.00 C ATOM 1106 C GLY A 73 -17.576 2.581 -3.840 1.00 0.00 C ATOM 1107 O GLY A 73 -18.452 3.395 -4.059 1.00 0.00 O ATOM 0 H GLY A 73 -15.395 0.390 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.587 2.661 -5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.371 1.129 -5.429 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.277 2.212 -2.620 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.013 2.790 -1.464 1.00 0.00 C ATOM 1113 C GLN A 74 -17.176 3.871 -0.766 1.00 0.00 C ATOM 1114 O GLN A 74 -17.673 4.584 0.080 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.368 1.669 -0.488 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.353 0.713 -1.168 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.703 -0.435 -0.222 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.831 -1.092 0.302 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.957 -0.703 0.020 1.00 0.00 N ATOM 0 H GLN A 74 -16.554 1.535 -2.378 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.927 3.263 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.468 1.132 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.810 2.084 0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.258 1.251 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.916 0.319 -2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.691 -0.149 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -21.203 -1.466 0.651 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.927 4.039 -1.130 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.122 5.129 -0.492 1.00 0.00 C ATOM 1130 C LEU A 75 -14.477 5.971 -1.585 1.00 0.00 C ATOM 1131 O LEU A 75 -14.778 5.835 -2.753 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.007 4.610 0.441 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.972 3.082 0.511 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.727 2.573 -0.214 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.893 2.644 1.971 1.00 0.00 C ATOM 0 H LEU A 75 -15.437 3.480 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.812 5.709 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.043 4.977 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.157 5.014 1.442 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.871 2.678 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.698 1.484 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.758 2.890 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.836 2.981 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.868 1.556 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.989 3.050 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.766 3.013 2.509 1.00 0.00 H new ATOM 1147 N THR A 76 -13.586 6.836 -1.207 1.00 0.00 N ATOM 1148 CA THR A 76 -12.898 7.691 -2.208 1.00 0.00 C ATOM 1149 C THR A 76 -11.418 7.759 -1.852 1.00 0.00 C ATOM 1150 O THR A 76 -11.025 8.442 -0.930 1.00 0.00 O ATOM 1151 CB THR A 76 -13.499 9.099 -2.175 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.812 9.065 -2.715 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.628 10.052 -2.994 1.00 0.00 C ATOM 0 H THR A 76 -13.301 6.990 -0.240 1.00 0.00 H new ATOM 0 HA THR A 76 -13.022 7.273 -3.207 1.00 0.00 H new ATOM 0 HB THR A 76 -13.540 9.451 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.198 9.965 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.059 11.053 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.623 10.079 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.580 9.705 -4.026 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.594 7.051 -2.570 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.142 7.073 -2.257 1.00 0.00 C ATOM 1163 C ILE A 77 -8.571 8.424 -2.673 1.00 0.00 C ATOM 1164 O ILE A 77 -8.733 8.859 -3.795 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.430 5.958 -3.029 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.289 4.684 -3.026 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.088 5.666 -2.357 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.337 4.082 -1.620 1.00 0.00 C ATOM 0 H ILE A 77 -10.863 6.460 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.993 6.918 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.271 6.276 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.299 4.917 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.877 3.958 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.574 4.873 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.474 6.567 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.258 5.350 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.949 3.180 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.327 3.831 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.770 4.805 -0.929 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.914 9.101 -1.773 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.346 10.431 -2.122 1.00 0.00 C ATOM 1182 C ILE A 78 -5.966 10.254 -2.750 1.00 0.00 C ATOM 1183 O ILE A 78 -5.162 9.458 -2.310 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.250 11.295 -0.864 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.225 12.467 -0.990 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.825 11.834 -0.698 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.663 11.943 -0.947 1.00 0.00 C ATOM 0 H ILE A 78 -7.747 8.792 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.998 10.927 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.501 10.690 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.062 13.178 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.049 13.001 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.770 12.447 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.128 11.000 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.561 12.438 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.357 12.778 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.822 11.249 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.835 11.429 -0.002 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.700 10.992 -3.789 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.387 10.878 -4.479 1.00 0.00 C ATOM 1201 C GLU A 79 -3.463 12.018 -4.045 1.00 0.00 C ATOM 1202 O GLU A 79 -3.908 13.092 -3.692 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.605 10.944 -5.989 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.508 9.786 -6.421 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.675 9.808 -7.941 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.269 10.785 -8.549 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.205 8.846 -8.470 1.00 0.00 O ATOM 0 H GLU A 79 -6.341 11.675 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.924 9.928 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.060 11.896 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.649 10.888 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.075 8.837 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.481 9.869 -5.936 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.178 11.790 -4.076 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.216 12.855 -3.672 1.00 0.00 C ATOM 1217 C GLY A 80 -0.676 12.553 -2.277 1.00 0.00 C ATOM 1218 O GLY A 80 0.385 13.009 -1.901 1.00 0.00 O ATOM 0 H GLY A 80 -1.752 10.909 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.395 12.908 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.709 13.827 -3.680 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.393 11.781 -1.506 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.912 11.446 -0.136 1.00 0.00 C ATOM 1224 C PHE A 81 -0.523 9.972 -0.055 1.00 0.00 C ATOM 1225 O PHE A 81 -1.306 9.095 -0.365 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.020 11.709 0.880 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.564 11.210 2.229 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.676 9.850 2.546 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.025 12.100 3.160 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.247 9.383 3.793 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.597 11.635 4.406 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.708 10.277 4.724 1.00 0.00 C ATOM 0 H PHE A 81 -2.289 11.369 -1.765 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.044 12.067 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.245 12.774 0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.937 11.202 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.094 9.161 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.939 13.149 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.332 8.334 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.180 12.325 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.378 9.919 5.688 1.00 0.00 H new ATOM 1242 N LYS A 82 0.668 9.684 0.393 1.00 0.00 N ATOM 1243 CA LYS A 82 1.076 8.262 0.527 1.00 0.00 C ATOM 1244 C LYS A 82 2.200 8.148 1.554 1.00 0.00 C ATOM 1245 O LYS A 82 3.137 8.921 1.563 1.00 0.00 O ATOM 1246 CB LYS A 82 1.560 7.704 -0.807 1.00 0.00 C ATOM 1247 CG LYS A 82 1.463 6.176 -0.757 1.00 0.00 C ATOM 1248 CD LYS A 82 1.860 5.582 -2.109 1.00 0.00 C ATOM 1249 CE LYS A 82 3.367 5.728 -2.319 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.627 6.762 -3.361 1.00 0.00 N ATOM 0 H LYS A 82 1.371 10.369 0.670 1.00 0.00 H new ATOM 0 HA LYS A 82 0.209 7.687 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.954 8.096 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.588 8.013 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.115 5.787 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.446 5.876 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.579 4.530 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.322 6.088 -2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.849 6.010 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.796 4.774 -2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.652 6.861 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.179 6.475 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.231 7.673 -3.053 1.00 0.00 H new ATOM 1264 N ARG A 83 2.103 7.183 2.411 1.00 0.00 N ATOM 1265 CA ARG A 83 3.149 6.979 3.447 1.00 0.00 C ATOM 1266 C ARG A 83 3.051 5.539 3.939 1.00 0.00 C ATOM 1267 O ARG A 83 1.972 4.984 4.007 1.00 0.00 O ATOM 1268 CB ARG A 83 2.907 7.941 4.614 1.00 0.00 C ATOM 1269 CG ARG A 83 4.007 7.779 5.669 1.00 0.00 C ATOM 1270 CD ARG A 83 5.273 8.512 5.218 1.00 0.00 C ATOM 1271 NE ARG A 83 6.346 8.301 6.231 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.600 8.306 5.867 1.00 0.00 C ATOM 1273 NH1 ARG A 83 7.919 8.516 4.618 1.00 0.00 N ATOM 1274 NH2 ARG A 83 8.537 8.103 6.752 1.00 0.00 N ATOM 0 H ARG A 83 1.333 6.514 2.442 1.00 0.00 H new ATOM 0 HA ARG A 83 4.139 7.170 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.890 8.968 4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.932 7.745 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.667 8.177 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.223 6.722 5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.596 8.141 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.070 9.577 5.102 1.00 0.00 H new ATOM 0 HE ARG A 83 6.100 8.153 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.188 8.676 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.899 8.520 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.290 7.940 7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.517 8.107 6.468 1.00 0.00 H new ATOM 1288 N GLU A 84 4.147 4.921 4.277 1.00 0.00 N ATOM 1289 CA GLU A 84 4.058 3.514 4.753 1.00 0.00 C ATOM 1290 C GLU A 84 4.667 3.382 6.144 1.00 0.00 C ATOM 1291 O GLU A 84 5.690 3.963 6.449 1.00 0.00 O ATOM 1292 CB GLU A 84 4.782 2.585 3.777 1.00 0.00 C ATOM 1293 CG GLU A 84 6.294 2.728 3.932 1.00 0.00 C ATOM 1294 CD GLU A 84 6.662 4.208 4.069 1.00 0.00 C ATOM 1295 OE1 GLU A 84 7.348 4.542 5.023 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.251 4.982 3.220 1.00 0.00 O ATOM 0 H GLU A 84 5.085 5.320 4.246 1.00 0.00 H new ATOM 0 HA GLU A 84 3.007 3.230 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.487 1.552 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.490 2.823 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.633 2.177 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.800 2.296 3.069 1.00 0.00 H new ATOM 1304 N LEU A 85 4.046 2.611 6.991 1.00 0.00 N ATOM 1305 CA LEU A 85 4.589 2.430 8.360 1.00 0.00 C ATOM 1306 C LEU A 85 5.403 1.135 8.378 1.00 0.00 C ATOM 1307 O LEU A 85 4.930 0.090 7.978 1.00 0.00 O ATOM 1308 CB LEU A 85 3.429 2.342 9.360 1.00 0.00 C ATOM 1309 CG LEU A 85 2.418 3.463 9.074 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.479 3.637 10.271 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.156 4.778 8.820 1.00 0.00 C ATOM 0 H LEU A 85 3.186 2.099 6.792 1.00 0.00 H new ATOM 0 HA LEU A 85 5.224 3.271 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.942 1.370 9.283 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.806 2.429 10.379 1.00 0.00 H new ATOM 0 HG LEU A 85 1.837 3.194 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.765 4.433 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.941 2.706 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.061 3.896 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.433 5.568 8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.744 5.041 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.818 4.664 7.961 1.00 0.00 H new ATOM 1323 N ASN A 86 6.631 1.198 8.818 1.00 0.00 N ATOM 1324 CA ASN A 86 7.477 -0.029 8.836 1.00 0.00 C ATOM 1325 C ASN A 86 7.899 -0.360 10.264 1.00 0.00 C ATOM 1326 O ASN A 86 8.474 0.453 10.960 1.00 0.00 O ATOM 1327 CB ASN A 86 8.728 0.212 7.986 1.00 0.00 C ATOM 1328 CG ASN A 86 8.651 -0.628 6.712 1.00 0.00 C ATOM 1329 OD1 ASN A 86 8.322 -1.797 6.759 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.941 -0.077 5.564 1.00 0.00 N ATOM 0 H ASN A 86 7.084 2.044 9.165 1.00 0.00 H new ATOM 0 HA ASN A 86 6.903 -0.863 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.810 1.269 7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.621 -0.050 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.891 -0.628 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.217 0.904 5.524 1.00 0.00 H new ATOM 1337 N TYR A 87 7.624 -1.557 10.703 1.00 0.00 N ATOM 1338 CA TYR A 87 8.015 -1.957 12.078 1.00 0.00 C ATOM 1339 C TYR A 87 7.895 -3.470 12.219 1.00 0.00 C ATOM 1340 O TYR A 87 7.117 -4.108 11.539 1.00 0.00 O ATOM 1341 CB TYR A 87 7.101 -1.281 13.096 1.00 0.00 C ATOM 1342 CG TYR A 87 5.660 -1.525 12.718 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.040 -2.731 13.062 1.00 0.00 C ATOM 1344 CD2 TYR A 87 4.945 -0.544 12.021 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.703 -2.957 12.710 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.609 -0.768 11.670 1.00 0.00 C ATOM 1347 CZ TYR A 87 2.987 -1.973 12.013 1.00 0.00 C ATOM 1348 OH TYR A 87 1.670 -2.195 11.668 1.00 0.00 O ATOM 0 H TYR A 87 7.143 -2.277 10.164 1.00 0.00 H new ATOM 0 HA TYR A 87 9.045 -1.650 12.260 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.298 -1.673 14.094 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.304 -0.210 13.128 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.592 -3.488 13.599 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.425 0.386 11.754 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.224 -3.888 12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.058 -0.010 11.134 1.00 0.00 H new ATOM 0 HH TYR A 87 1.321 -1.414 11.190 1.00 0.00 H new ATOM 1444 N PRO A 93 9.271 -7.481 10.105 1.00 0.00 N ATOM 1445 CA PRO A 93 9.011 -6.064 9.708 1.00 0.00 C ATOM 1446 C PRO A 93 7.970 -5.955 8.607 1.00 0.00 C ATOM 1447 O PRO A 93 8.085 -6.573 7.574 1.00 0.00 O ATOM 1448 CB PRO A 93 10.357 -5.578 9.193 1.00 0.00 C ATOM 1449 CG PRO A 93 11.037 -6.807 8.696 1.00 0.00 C ATOM 1450 CD PRO A 93 10.550 -7.963 9.560 1.00 0.00 C ATOM 0 HA PRO A 93 8.620 -5.482 10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.235 -4.843 8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.934 -5.098 9.984 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.799 -6.982 7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.120 -6.703 8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.417 -8.872 8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.260 -8.196 10.353 1.00 0.00 H new ATOM 1458 N LYS A 94 6.964 -5.165 8.815 1.00 0.00 N ATOM 1459 CA LYS A 94 5.911 -5.024 7.776 1.00 0.00 C ATOM 1460 C LYS A 94 5.846 -3.594 7.259 1.00 0.00 C ATOM 1461 O LYS A 94 5.644 -2.658 8.006 1.00 0.00 O ATOM 1462 CB LYS A 94 4.552 -5.382 8.384 1.00 0.00 C ATOM 1463 CG LYS A 94 3.458 -5.212 7.325 1.00 0.00 C ATOM 1464 CD LYS A 94 2.130 -4.855 8.004 1.00 0.00 C ATOM 1465 CE LYS A 94 1.522 -6.100 8.637 1.00 0.00 C ATOM 1466 NZ LYS A 94 0.103 -5.829 9.007 1.00 0.00 N ATOM 0 H LYS A 94 6.822 -4.609 9.658 1.00 0.00 H new ATOM 0 HA LYS A 94 6.153 -5.692 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.564 -6.409 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.345 -4.742 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.739 -4.429 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.348 -6.132 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.294 -4.092 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.440 -4.433 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.574 -6.937 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.091 -6.386 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.312 -6.679 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.065 -5.042 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.436 -5.576 8.154 1.00 0.00 H new ATOM 1480 N THR A 95 5.957 -3.423 5.971 1.00 0.00 N ATOM 1481 CA THR A 95 5.835 -2.063 5.400 1.00 0.00 C ATOM 1482 C THR A 95 4.357 -1.856 5.108 1.00 0.00 C ATOM 1483 O THR A 95 3.778 -2.548 4.294 1.00 0.00 O ATOM 1484 CB THR A 95 6.636 -1.963 4.098 1.00 0.00 C ATOM 1485 OG1 THR A 95 8.021 -1.872 4.398 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.195 -0.720 3.316 1.00 0.00 C ATOM 0 H THR A 95 6.127 -4.167 5.295 1.00 0.00 H new ATOM 0 HA THR A 95 6.220 -1.310 6.088 1.00 0.00 H new ATOM 0 HB THR A 95 6.455 -2.851 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.208 -2.358 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.766 -0.651 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.133 -0.795 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.372 0.171 3.919 1.00 0.00 H new ATOM 1494 N VAL A 96 3.730 -0.938 5.776 1.00 0.00 N ATOM 1495 CA VAL A 96 2.281 -0.733 5.542 1.00 0.00 C ATOM 1496 C VAL A 96 2.070 0.563 4.779 1.00 0.00 C ATOM 1497 O VAL A 96 2.454 1.618 5.226 1.00 0.00 O ATOM 1498 CB VAL A 96 1.565 -0.655 6.889 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.057 -0.563 6.660 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.877 -1.910 7.707 1.00 0.00 C ATOM 0 H VAL A 96 4.155 -0.323 6.470 1.00 0.00 H new ATOM 0 HA VAL A 96 1.880 -1.563 4.960 1.00 0.00 H new ATOM 0 HB VAL A 96 1.907 0.227 7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.454 -0.507 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.169 0.330 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.283 -1.446 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.366 -1.854 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.535 -2.792 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.952 -1.979 7.871 1.00 0.00 H new ATOM 1510 N ILE A 97 1.443 0.488 3.639 1.00 0.00 N ATOM 1511 CA ILE A 97 1.186 1.716 2.840 1.00 0.00 C ATOM 1512 C ILE A 97 -0.255 2.141 3.100 1.00 0.00 C ATOM 1513 O ILE A 97 -1.172 1.351 2.980 1.00 0.00 O ATOM 1514 CB ILE A 97 1.383 1.397 1.355 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.755 0.727 1.160 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.297 2.685 0.530 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.805 1.747 0.708 1.00 0.00 C ATOM 0 H ILE A 97 1.096 -0.377 3.225 1.00 0.00 H new ATOM 0 HA ILE A 97 1.870 2.518 3.118 1.00 0.00 H new ATOM 0 HB ILE A 97 0.600 0.717 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.073 0.262 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.673 -0.069 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.438 2.451 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.319 3.144 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.073 3.378 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.765 1.247 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.496 2.192 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.902 2.528 1.462 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.468 3.368 3.490 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.858 3.806 3.795 1.00 0.00 C ATOM 1531 C TYR A 98 -2.334 4.886 2.825 1.00 0.00 C ATOM 1532 O TYR A 98 -1.656 5.860 2.565 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.908 4.378 5.210 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.909 3.260 6.225 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -2.989 2.368 6.286 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.835 3.119 7.109 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.991 1.339 7.235 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.838 2.091 8.058 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.917 1.201 8.120 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.923 0.189 9.058 1.00 0.00 O ATOM 0 H TYR A 98 0.253 4.080 3.610 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.509 2.937 3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.050 5.030 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.802 4.990 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.818 2.475 5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.002 3.805 7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.822 0.651 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.009 1.984 8.742 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.057 0.163 9.517 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.528 4.725 2.332 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.121 5.737 1.424 1.00 0.00 C ATOM 1552 C TRP A 99 -5.348 6.317 2.129 1.00 0.00 C ATOM 1553 O TRP A 99 -6.073 5.606 2.797 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.540 5.080 0.108 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.407 5.120 -0.868 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.976 6.230 -1.507 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.563 4.027 -1.328 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.919 5.887 -2.334 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.628 4.540 -2.258 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.520 2.652 -1.032 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.683 3.717 -2.873 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.570 1.823 -1.651 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.654 2.353 -2.569 1.00 0.00 C ATOM 0 H TRP A 99 -4.126 3.921 2.524 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.398 6.520 1.197 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -4.840 4.048 0.287 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.406 5.596 -0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.388 7.222 -1.392 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.417 6.549 -2.926 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.221 2.232 -0.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.021 4.132 -3.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.545 0.769 -1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.073 1.709 -3.041 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.593 7.589 2.012 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.777 8.163 2.708 1.00 0.00 C ATOM 1576 C LEU A 100 -8.041 7.811 1.919 1.00 0.00 C ATOM 1577 O LEU A 100 -8.054 7.847 0.706 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.628 9.683 2.803 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.146 10.057 2.723 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.973 11.538 3.049 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.346 9.226 3.728 1.00 0.00 C ATOM 0 H LEU A 100 -5.034 8.250 1.472 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.850 7.750 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.179 10.164 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.055 10.043 3.739 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.783 9.857 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.917 11.802 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.536 12.136 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.342 11.734 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.292 9.497 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.713 9.422 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.463 8.167 3.499 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.101 7.457 2.598 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.355 7.088 1.879 1.00 0.00 C ATOM 1595 C ALA A 101 -11.563 7.707 2.584 1.00 0.00 C ATOM 1596 O ALA A 101 -11.530 7.982 3.766 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.503 5.566 1.868 1.00 0.00 C ATOM 0 H ALA A 101 -9.152 7.408 3.616 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.305 7.463 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.419 5.293 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.647 5.121 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.549 5.197 2.893 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.630 7.928 1.864 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.846 8.528 2.487 1.00 0.00 C ATOM 1605 C GLU A 102 -15.077 7.703 2.114 1.00 0.00 C ATOM 1606 O GLU A 102 -15.434 7.601 0.959 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.021 9.956 1.963 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.249 10.602 2.607 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.516 11.951 1.940 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.662 12.400 1.194 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.573 12.509 2.183 1.00 0.00 O ATOM 0 H GLU A 102 -12.712 7.719 0.869 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.733 8.538 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.131 10.545 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.133 9.943 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.116 9.951 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.085 10.738 3.676 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.742 7.126 3.082 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.954 6.321 2.772 1.00 0.00 C ATOM 1621 C VAL A 103 -18.137 7.269 2.530 1.00 0.00 C ATOM 1622 O VAL A 103 -18.309 8.257 3.213 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.236 5.357 3.927 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.934 4.677 4.320 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.771 6.110 5.142 1.00 0.00 C ATOM 0 H VAL A 103 -15.496 7.179 4.071 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.797 5.729 1.870 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.980 4.629 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.118 3.986 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.539 4.127 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.211 5.430 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.964 5.405 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.034 6.844 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.697 6.620 4.876 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.919 6.994 1.525 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.064 7.893 1.184 1.00 0.00 C ATOM 1637 C LYS A 104 -21.088 7.969 2.319 1.00 0.00 C ATOM 1638 O LYS A 104 -21.689 9.000 2.543 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.769 7.360 -0.069 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.799 6.515 -0.903 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.476 7.262 -1.084 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.178 7.417 -2.575 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.276 8.192 -3.219 1.00 0.00 N ATOM 0 H LYS A 104 -18.816 6.180 0.919 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.661 8.891 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.632 6.759 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.144 8.192 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.622 5.559 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.239 6.296 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.531 8.242 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.668 6.717 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.226 7.928 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.086 6.437 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.885 8.778 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.980 7.535 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.730 8.804 -2.511 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.327 6.895 3.012 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.359 6.937 4.093 1.00 0.00 C ATOM 1659 C ASP A 105 -21.726 6.971 5.481 1.00 0.00 C ATOM 1660 O ASP A 105 -20.848 6.201 5.796 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.251 5.705 3.988 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.718 6.133 4.041 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.479 5.488 4.745 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.057 7.099 3.378 1.00 0.00 O ATOM 0 H ASP A 105 -20.861 5.997 2.883 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.942 7.849 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -23.049 5.175 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.033 5.014 4.802 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.208 7.836 6.327 1.00 0.00 N ATOM 1671 CA TYR A 106 -21.679 7.895 7.717 1.00 0.00 C ATOM 1672 C TYR A 106 -22.013 6.573 8.403 1.00 0.00 C ATOM 1673 O TYR A 106 -21.228 6.023 9.150 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.347 9.051 8.467 1.00 0.00 C ATOM 1675 CG TYR A 106 -21.950 9.014 9.926 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -20.622 9.248 10.300 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -22.917 8.750 10.904 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.260 9.219 11.652 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.555 8.720 12.257 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.225 8.954 12.631 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.867 8.925 13.964 1.00 0.00 O ATOM 0 H TYR A 106 -22.947 8.506 6.116 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.601 8.056 7.711 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.052 10.002 8.025 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.431 8.979 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -19.876 9.451 9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -23.942 8.570 10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.235 9.401 11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.301 8.517 13.011 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.656 8.729 14.511 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.181 6.057 8.135 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.591 4.764 8.742 1.00 0.00 C ATOM 1693 C ASP A 107 -23.281 3.639 7.755 1.00 0.00 C ATOM 1694 O ASP A 107 -23.781 2.538 7.880 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.093 4.791 9.035 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.376 5.808 10.140 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -26.531 6.162 10.310 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -24.433 6.216 10.798 1.00 0.00 O ATOM 0 H ASP A 107 -23.873 6.481 7.516 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.049 4.600 9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.646 5.054 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.433 3.801 9.340 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.462 3.914 6.775 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.111 2.868 5.772 1.00 0.00 C ATOM 1706 C VAL A 108 -21.982 1.527 6.487 1.00 0.00 C ATOM 1707 O VAL A 108 -21.555 1.458 7.622 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.783 3.230 5.106 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.747 3.528 6.187 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.291 2.066 4.243 1.00 0.00 C ATOM 0 H VAL A 108 -22.020 4.821 6.626 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.887 2.804 5.009 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.927 4.106 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.797 3.787 5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.089 4.362 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.614 2.648 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.345 2.335 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.148 1.185 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -21.029 1.848 3.471 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.367 0.467 5.846 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.290 -0.859 6.504 1.00 0.00 C ATOM 1722 C GLU A 109 -20.845 -1.198 6.851 1.00 0.00 C ATOM 1723 O GLU A 109 -19.914 -0.865 6.144 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.862 -1.935 5.580 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.740 -2.854 5.089 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.280 -3.782 3.999 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -23.491 -3.884 3.883 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.474 -4.368 3.297 1.00 0.00 O ATOM 0 H GLU A 109 -22.732 0.461 4.894 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.875 -0.824 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.615 -2.518 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.360 -1.469 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.914 -2.260 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.347 -3.441 5.919 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.669 -1.874 7.937 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.307 -2.283 8.373 1.00 0.00 C ATOM 1738 C ILE A 110 -19.269 -3.802 8.533 1.00 0.00 C ATOM 1739 O ILE A 110 -19.936 -4.362 9.379 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.970 -1.601 9.699 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.798 -0.093 9.473 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.678 -2.185 10.263 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.665 0.160 8.475 1.00 0.00 C ATOM 0 H ILE A 110 -21.422 -2.170 8.558 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.571 -1.983 7.627 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.781 -1.770 10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.727 0.335 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.578 0.402 10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.440 -1.697 11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.804 -3.255 10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.865 -2.021 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.549 1.233 8.320 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.735 -0.252 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.902 -0.320 7.526 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.494 -4.476 7.729 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.419 -5.959 7.839 1.00 0.00 C ATOM 1757 C ARG A 111 -17.097 -6.340 8.488 1.00 0.00 C ATOM 1758 O ARG A 111 -16.035 -6.160 7.928 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.520 -6.576 6.445 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.933 -6.336 5.918 1.00 0.00 C ATOM 1761 CD ARG A 111 -20.042 -6.799 4.465 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.434 -6.563 3.985 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.846 -7.100 2.870 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -21.036 -7.837 2.161 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -23.069 -6.897 2.458 1.00 0.00 N ATOM 0 H ARG A 111 -17.910 -4.064 7.001 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.241 -6.332 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.784 -6.128 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.306 -7.644 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.654 -6.874 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.180 -5.277 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -19.331 -6.256 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.791 -7.857 4.387 1.00 0.00 H new ATOM 0 HE ARG A 111 -22.067 -5.979 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.079 -7.994 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.359 -8.256 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.703 -6.318 3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.390 -7.318 1.586 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.166 -6.848 9.679 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.925 -7.228 10.402 1.00 0.00 C ATOM 1781 C LEU A 112 -15.716 -8.738 10.329 1.00 0.00 C ATOM 1782 O LEU A 112 -16.655 -9.504 10.247 1.00 0.00 O ATOM 1783 CB LEU A 112 -16.049 -6.818 11.868 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.583 -5.389 11.968 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.447 -4.905 13.411 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.788 -4.464 11.039 1.00 0.00 C ATOM 0 H LEU A 112 -18.033 -7.018 10.188 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.077 -6.722 9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.718 -7.502 12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.077 -6.887 12.357 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.631 -5.373 11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.826 -3.886 13.490 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -17.020 -5.558 14.069 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.397 -4.926 13.704 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.176 -3.448 11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.737 -4.474 11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.885 -4.811 10.010 1.00 0.00 H new ATOM 1798 N SER A 113 -14.489 -9.167 10.381 1.00 0.00 N ATOM 1799 CA SER A 113 -14.199 -10.623 10.340 1.00 0.00 C ATOM 1800 C SER A 113 -13.809 -11.074 11.749 1.00 0.00 C ATOM 1801 O SER A 113 -13.503 -10.265 12.602 1.00 0.00 O ATOM 1802 CB SER A 113 -13.044 -10.893 9.377 1.00 0.00 C ATOM 1803 OG SER A 113 -13.427 -10.503 8.065 1.00 0.00 O ATOM 0 H SER A 113 -13.668 -8.566 10.451 1.00 0.00 H new ATOM 0 HA SER A 113 -15.077 -11.171 9.997 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.158 -10.340 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.782 -11.951 9.393 1.00 0.00 H new ATOM 0 HG SER A 113 -13.134 -9.583 7.899 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.823 -12.349 12.008 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.457 -12.824 13.370 1.00 0.00 C ATOM 1811 C HIS A 114 -12.205 -12.084 13.843 1.00 0.00 C ATOM 1812 O HIS A 114 -12.011 -11.864 15.023 1.00 0.00 O ATOM 1813 CB HIS A 114 -13.184 -14.328 13.327 1.00 0.00 C ATOM 1814 CG HIS A 114 -14.458 -15.052 12.992 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.873 -15.250 11.683 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -15.422 -15.627 13.784 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -16.040 -15.918 11.725 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -16.416 -16.172 12.979 1.00 0.00 N ATOM 0 H HIS A 114 -14.070 -13.080 11.341 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.276 -12.627 14.061 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -12.419 -14.550 12.583 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.801 -14.668 14.289 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -15.410 -15.652 14.864 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.603 -16.212 10.851 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -17.256 -16.663 13.284 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.356 -11.696 12.932 1.00 0.00 N ATOM 1828 CA GLU A 115 -10.119 -10.964 13.328 1.00 0.00 C ATOM 1829 C GLU A 115 -10.492 -9.631 13.987 1.00 0.00 C ATOM 1830 O GLU A 115 -9.790 -9.142 14.850 1.00 0.00 O ATOM 1831 CB GLU A 115 -9.267 -10.701 12.086 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.791 -12.033 11.504 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.909 -11.773 10.283 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.848 -10.633 9.850 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.307 -12.719 9.799 1.00 0.00 O ATOM 0 H GLU A 115 -11.465 -11.854 11.930 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.554 -11.567 14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.847 -10.154 11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.411 -10.078 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.233 -12.591 12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.648 -12.645 11.223 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.588 -9.035 13.590 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.991 -7.734 14.201 1.00 0.00 C ATOM 1845 C HIS A 116 -13.257 -7.925 15.045 1.00 0.00 C ATOM 1846 O HIS A 116 -14.277 -8.380 14.563 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.253 -6.713 13.095 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.951 -6.325 12.450 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.016 -5.526 13.095 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.410 -6.619 11.222 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.972 -5.368 12.258 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -9.164 -6.013 11.107 1.00 0.00 N ATOM 0 H HIS A 116 -12.218 -9.392 12.872 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.189 -7.372 14.844 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.929 -7.134 12.350 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.743 -5.831 13.508 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -10.104 -5.131 14.031 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.880 -7.227 10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.089 -4.791 12.491 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.530 -6.053 10.309 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.188 -7.589 16.304 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.369 -7.751 17.203 1.00 0.00 C ATOM 1863 C GLN A 117 -15.382 -6.618 17.003 1.00 0.00 C ATOM 1864 O GLN A 117 -16.576 -6.828 17.088 1.00 0.00 O ATOM 1865 CB GLN A 117 -13.887 -7.772 18.656 1.00 0.00 C ATOM 1866 CG GLN A 117 -15.082 -7.789 19.606 1.00 0.00 C ATOM 1867 CD GLN A 117 -15.949 -9.017 19.326 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -15.442 -10.070 18.993 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -17.244 -8.925 19.448 1.00 0.00 N ATOM 0 H GLN A 117 -12.357 -7.205 16.754 1.00 0.00 H new ATOM 0 HA GLN A 117 -14.869 -8.688 16.960 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.264 -8.650 18.828 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.268 -6.897 18.854 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.736 -7.805 20.640 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.671 -6.880 19.481 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -17.668 -8.041 19.728 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -17.833 -9.737 19.264 1.00 0.00 H new ATOM 1878 N ALA A 118 -14.932 -5.417 16.754 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.900 -4.292 16.576 1.00 0.00 C ATOM 1880 C ALA A 118 -15.194 -3.073 15.972 1.00 0.00 C ATOM 1881 O ALA A 118 -13.989 -3.053 15.819 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.487 -3.915 17.936 1.00 0.00 C ATOM 0 H ALA A 118 -13.947 -5.166 16.667 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.695 -4.610 15.901 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.194 -3.095 17.812 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.002 -4.776 18.362 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.685 -3.605 18.605 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.942 -2.057 15.624 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.326 -0.838 15.028 1.00 0.00 C ATOM 1890 C TYR A 119 -15.953 0.418 15.642 1.00 0.00 C ATOM 1891 O TYR A 119 -17.024 0.374 16.213 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.566 -0.833 13.521 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.025 -0.555 13.246 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.944 -1.606 13.227 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.455 0.755 13.001 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.294 -1.355 12.963 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.806 1.008 12.738 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.726 -0.047 12.719 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.058 0.204 12.457 1.00 0.00 O ATOM 0 H TYR A 119 -16.956 -2.021 15.728 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.255 -0.843 15.232 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.944 -0.075 13.045 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.281 -1.794 13.093 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.611 -2.616 13.417 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.745 1.569 13.015 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.002 -2.170 12.947 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.139 2.018 12.550 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.187 1.164 12.311 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.292 1.542 15.525 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.850 2.802 16.097 1.00 0.00 C ATOM 1911 C ARG A 120 -15.551 3.980 15.168 1.00 0.00 C ATOM 1912 O ARG A 120 -14.555 4.000 14.470 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.205 3.086 17.456 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.624 2.021 18.467 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.034 2.369 19.835 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.271 1.245 20.782 1.00 0.00 N ATOM 1917 CZ ARG A 120 -14.816 1.318 22.002 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.149 2.370 22.391 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.026 0.336 22.834 1.00 0.00 N ATOM 0 H ARG A 120 -14.390 1.640 15.058 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.927 2.681 16.209 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.120 3.098 17.357 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.504 4.073 17.810 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.711 1.968 18.529 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.275 1.040 18.146 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.965 2.561 19.743 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.490 3.282 20.217 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.788 0.420 20.477 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.982 3.138 21.740 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.794 2.425 23.346 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.545 -0.488 22.530 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.671 0.392 23.789 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.392 4.976 15.185 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.152 6.179 14.340 1.00 0.00 C ATOM 1935 C TRP A 121 -15.780 7.335 15.263 1.00 0.00 C ATOM 1936 O TRP A 121 -16.602 7.840 16.002 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.420 6.523 13.558 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.506 5.643 12.357 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.245 4.518 12.268 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.839 5.801 11.074 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -18.070 3.966 11.011 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.211 4.724 10.237 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.953 6.764 10.562 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.721 4.608 8.935 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.458 6.652 9.254 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.842 5.577 8.442 1.00 0.00 C ATOM 0 H TRP A 121 -17.240 5.009 15.751 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.348 5.990 13.628 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.299 6.387 14.188 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.403 7.570 13.256 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.871 4.114 13.050 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.519 3.107 10.695 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.651 7.597 11.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.019 3.776 8.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.778 7.398 8.871 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.459 5.497 7.435 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.539 7.738 15.258 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.116 8.837 16.169 1.00 0.00 C ATOM 1959 C LEU A 122 -13.337 9.901 15.395 1.00 0.00 C ATOM 1960 O LEU A 122 -13.020 9.738 14.235 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.219 8.271 17.276 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.538 6.787 17.515 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.402 5.924 16.971 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.704 6.531 19.016 1.00 0.00 C ATOM 0 H LEU A 122 -13.803 7.355 14.665 1.00 0.00 H new ATOM 0 HA LEU A 122 -15.007 9.289 16.604 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.171 8.384 16.998 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.367 8.835 18.197 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.464 6.531 17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.630 4.872 17.142 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.290 6.102 15.902 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.474 6.181 17.481 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.930 5.478 19.183 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.780 6.790 19.534 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.520 7.143 19.401 1.00 0.00 H new ATOM 1976 N GLY A 123 -13.021 10.992 16.043 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.258 12.074 15.364 1.00 0.00 C ATOM 1978 C GLY A 123 -10.764 11.749 15.417 1.00 0.00 C ATOM 1979 O GLY A 123 -10.362 10.717 15.915 1.00 0.00 O ATOM 0 H GLY A 123 -13.261 11.178 17.017 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.584 12.170 14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.451 13.031 15.849 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.940 12.619 14.903 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.474 12.355 14.921 1.00 0.00 C ATOM 1985 C LEU A 124 -7.991 12.180 16.363 1.00 0.00 C ATOM 1986 O LEU A 124 -7.160 11.344 16.648 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.738 13.533 14.279 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.226 13.309 14.360 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.880 11.908 13.854 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.514 14.346 13.488 1.00 0.00 C ATOM 0 H LEU A 124 -10.218 13.501 14.472 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.268 11.442 14.362 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.043 13.640 13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.005 14.460 14.787 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.904 13.409 15.396 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.802 11.755 13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.387 11.164 14.468 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.204 11.805 12.818 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.437 14.190 13.543 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.844 14.240 12.454 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.754 15.348 13.845 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.497 12.969 17.269 1.00 0.00 N ATOM 2003 CA GLU A 125 -8.059 12.861 18.693 1.00 0.00 C ATOM 2004 C GLU A 125 -8.300 11.447 19.220 1.00 0.00 C ATOM 2005 O GLU A 125 -7.400 10.797 19.715 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.850 13.862 19.540 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.326 13.447 19.587 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.146 14.555 20.250 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.547 15.511 20.715 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.358 14.428 20.282 1.00 0.00 O ATOM 0 H GLU A 125 -9.198 13.687 17.086 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.993 13.081 18.754 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.441 13.902 20.550 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.757 14.863 19.119 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.695 13.261 18.578 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.436 12.516 20.143 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.503 10.963 19.121 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.796 9.594 19.618 1.00 0.00 C ATOM 2020 C GLU A 126 -9.151 8.579 18.687 1.00 0.00 C ATOM 2021 O GLU A 126 -8.517 7.637 19.115 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.305 9.378 19.637 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.838 9.494 21.068 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.221 10.706 21.770 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -10.181 10.544 22.389 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -11.807 11.774 21.691 1.00 0.00 O ATOM 0 H GLU A 126 -10.298 11.458 18.716 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.399 9.473 20.626 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.793 10.114 18.999 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.544 8.395 19.231 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.924 9.589 21.052 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.605 8.586 21.624 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.286 8.769 17.409 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.654 7.817 16.469 1.00 0.00 C ATOM 2036 C ALA A 127 -7.176 7.742 16.828 1.00 0.00 C ATOM 2037 O ALA A 127 -6.539 6.717 16.699 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.830 8.322 15.040 1.00 0.00 C ATOM 0 H ALA A 127 -9.803 9.536 16.979 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.111 6.830 16.539 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.365 7.621 14.347 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.893 8.406 14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.359 9.300 14.939 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.640 8.829 17.308 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.215 8.850 17.719 1.00 0.00 C ATOM 2046 C CYS A 128 -5.095 8.218 19.109 1.00 0.00 C ATOM 2047 O CYS A 128 -4.170 7.479 19.389 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.725 10.299 17.768 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.016 10.749 16.165 1.00 0.00 S ATOM 0 H CYS A 128 -7.136 9.711 17.433 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.610 8.290 17.006 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.552 10.966 18.012 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.979 10.416 18.554 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.601 11.980 16.204 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.028 8.497 19.981 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.970 7.911 21.351 1.00 0.00 C ATOM 2057 C GLN A 129 -6.095 6.389 21.257 1.00 0.00 C ATOM 2058 O GLN A 129 -5.331 5.656 21.856 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.104 8.499 22.209 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.355 7.615 22.161 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.172 6.400 23.077 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.088 6.150 23.565 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.197 5.632 23.337 1.00 0.00 N ATOM 0 H GLN A 129 -6.827 9.105 19.803 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.017 8.155 21.821 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.767 8.600 23.241 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.350 9.500 21.854 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.228 8.188 22.473 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.539 7.286 21.138 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.108 5.841 22.928 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.086 4.824 23.949 1.00 0.00 H new ATOM 2072 N LEU A 130 -7.037 5.908 20.502 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.200 4.432 20.360 1.00 0.00 C ATOM 2074 C LEU A 130 -5.992 3.861 19.619 1.00 0.00 C ATOM 2075 O LEU A 130 -5.414 2.871 20.022 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.462 4.141 19.552 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.695 4.540 20.360 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.756 5.102 19.421 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.260 3.310 21.069 1.00 0.00 C ATOM 0 H LEU A 130 -7.704 6.471 19.975 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.279 3.976 21.347 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.438 4.691 18.612 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.508 3.081 19.300 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.416 5.294 21.096 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.637 5.387 19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.360 5.977 18.906 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -11.031 4.344 18.688 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.140 3.595 21.646 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.538 2.559 20.329 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.505 2.897 21.739 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.597 4.489 18.546 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.417 3.993 17.791 1.00 0.00 C ATOM 2093 C ALA A 131 -3.168 4.394 18.568 1.00 0.00 C ATOM 2094 O ALA A 131 -2.294 5.074 18.070 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.398 4.615 16.395 1.00 0.00 C ATOM 0 H ALA A 131 -6.041 5.323 18.161 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.458 2.910 17.678 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.531 4.248 15.845 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.308 4.341 15.862 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.341 5.700 16.481 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.102 3.978 19.800 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.943 4.326 20.672 1.00 0.00 C ATOM 2103 C GLN A 132 -0.649 4.328 19.858 1.00 0.00 C ATOM 2104 O GLN A 132 0.256 5.094 20.122 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.819 3.290 21.792 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.860 2.178 21.602 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.169 2.558 22.300 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -4.282 3.727 22.869 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -5.104 1.781 22.325 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.814 3.401 20.249 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.107 5.318 21.093 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.816 2.863 21.793 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.962 3.771 22.760 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.039 2.015 20.539 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.481 1.241 22.009 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.019 0.867 21.881 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.973 2.044 22.790 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.544 3.476 18.881 1.00 0.00 N ATOM 2119 CA PHE A 133 0.706 3.440 18.074 1.00 0.00 C ATOM 2120 C PHE A 133 0.962 4.810 17.444 1.00 0.00 C ATOM 2121 O PHE A 133 0.140 5.345 16.727 1.00 0.00 O ATOM 2122 CB PHE A 133 0.567 2.385 16.978 1.00 0.00 C ATOM 2123 CG PHE A 133 0.628 1.014 17.608 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.488 0.504 18.285 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.802 0.258 17.525 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.430 -0.762 18.876 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.860 -1.009 18.117 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.745 -1.520 18.793 1.00 0.00 C ATOM 0 H PHE A 133 -1.263 2.807 18.606 1.00 0.00 H new ATOM 0 HA PHE A 133 1.547 3.188 18.720 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.376 2.514 16.448 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.364 2.498 16.243 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.393 1.089 18.350 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.663 0.651 17.005 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.291 -1.155 19.396 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.766 -1.593 18.052 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.791 -2.498 19.250 1.00 0.00 H new ATOM 2138 N LYS A 134 2.112 5.373 17.703 1.00 0.00 N ATOM 2139 CA LYS A 134 2.451 6.703 17.124 1.00 0.00 C ATOM 2140 C LYS A 134 2.366 6.629 15.601 1.00 0.00 C ATOM 2141 O LYS A 134 1.997 7.578 14.939 1.00 0.00 O ATOM 2142 CB LYS A 134 3.875 7.078 17.535 1.00 0.00 C ATOM 2143 CG LYS A 134 4.243 8.440 16.945 1.00 0.00 C ATOM 2144 CD LYS A 134 5.699 8.766 17.292 1.00 0.00 C ATOM 2145 CE LYS A 134 6.028 10.187 16.836 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.522 10.978 17.997 1.00 0.00 N ATOM 0 H LYS A 134 2.835 4.965 18.295 1.00 0.00 H new ATOM 0 HA LYS A 134 1.751 7.454 17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.953 7.109 18.622 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.576 6.319 17.186 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.109 8.429 15.863 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.582 9.211 17.340 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.857 8.672 18.366 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.367 8.054 16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.784 10.163 16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.142 10.659 16.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.746 11.945 17.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.787 11.011 18.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 7.378 10.531 18.383 1.00 0.00 H new ATOM 2160 N GLU A 135 2.719 5.508 15.046 1.00 0.00 N ATOM 2161 CA GLU A 135 2.681 5.356 13.566 1.00 0.00 C ATOM 2162 C GLU A 135 1.277 5.659 13.064 1.00 0.00 C ATOM 2163 O GLU A 135 1.085 6.354 12.084 1.00 0.00 O ATOM 2164 CB GLU A 135 3.007 3.907 13.214 1.00 0.00 C ATOM 2165 CG GLU A 135 4.189 3.438 14.055 1.00 0.00 C ATOM 2166 CD GLU A 135 4.496 1.977 13.726 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.698 1.373 13.029 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.518 1.488 14.178 1.00 0.00 O ATOM 0 H GLU A 135 3.035 4.683 15.556 1.00 0.00 H new ATOM 0 HA GLU A 135 3.400 6.037 13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.140 3.272 13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.244 3.823 12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.062 4.059 13.854 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.960 3.543 15.115 1.00 0.00 H new ATOM 2176 N MET A 136 0.292 5.126 13.724 1.00 0.00 N ATOM 2177 CA MET A 136 -1.104 5.356 13.289 1.00 0.00 C ATOM 2178 C MET A 136 -1.556 6.737 13.745 1.00 0.00 C ATOM 2179 O MET A 136 -2.124 7.494 12.981 1.00 0.00 O ATOM 2180 CB MET A 136 -1.989 4.276 13.897 1.00 0.00 C ATOM 2181 CG MET A 136 -1.392 2.906 13.568 1.00 0.00 C ATOM 2182 SD MET A 136 -1.042 2.805 11.793 1.00 0.00 S ATOM 2183 CE MET A 136 -2.687 3.263 11.192 1.00 0.00 C ATOM 0 H MET A 136 0.397 4.538 14.551 1.00 0.00 H new ATOM 0 HA MET A 136 -1.175 5.310 12.202 1.00 0.00 H new ATOM 0 HB2 MET A 136 -2.058 4.408 14.977 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.002 4.351 13.501 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.476 2.751 14.139 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.086 2.117 13.857 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.858 2.808 10.216 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.442 2.910 11.894 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.753 4.347 11.103 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.279 7.100 14.967 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.671 8.457 15.419 1.00 0.00 C ATOM 2195 C LYS A 137 -1.043 9.444 14.449 1.00 0.00 C ATOM 2196 O LYS A 137 -1.595 10.484 14.154 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.162 8.702 16.837 1.00 0.00 C ATOM 2198 CG LYS A 137 -2.106 8.025 17.834 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.310 7.266 18.893 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.592 8.240 19.832 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.440 9.564 19.167 1.00 0.00 N ATOM 0 H LYS A 137 -0.805 6.522 15.661 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.755 8.570 15.434 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.152 8.306 16.947 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.109 9.772 17.037 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.737 8.774 18.312 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.769 7.339 17.308 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.979 6.625 19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.581 6.615 18.410 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.157 8.351 20.757 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.387 7.844 20.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.029 10.244 19.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.187 9.469 18.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.372 9.905 18.855 1.00 0.00 H new ATOM 2215 N ALA A 138 0.105 9.098 13.926 1.00 0.00 N ATOM 2216 CA ALA A 138 0.782 9.977 12.939 1.00 0.00 C ATOM 2217 C ALA A 138 0.100 9.809 11.578 1.00 0.00 C ATOM 2218 O ALA A 138 -0.268 10.768 10.932 1.00 0.00 O ATOM 2219 CB ALA A 138 2.250 9.579 12.817 1.00 0.00 C ATOM 0 H ALA A 138 0.603 8.235 14.146 1.00 0.00 H new ATOM 0 HA ALA A 138 0.716 11.015 13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.743 10.226 12.092 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.737 9.683 13.787 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.320 8.543 12.485 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.083 8.583 11.147 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.755 8.349 9.836 1.00 0.00 C ATOM 2227 C ALA A 139 -2.119 9.022 9.872 1.00 0.00 C ATOM 2228 O ALA A 139 -2.482 9.776 8.989 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.941 6.847 9.616 1.00 0.00 C ATOM 0 H ALA A 139 0.203 7.741 11.646 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.150 8.757 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.432 6.678 8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.032 6.356 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.556 6.435 10.416 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.865 8.774 10.908 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.194 9.412 11.038 1.00 0.00 C ATOM 2237 C LEU A 140 -3.970 10.923 11.144 1.00 0.00 C ATOM 2238 O LEU A 140 -4.807 11.723 10.779 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.876 8.896 12.310 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.953 7.362 12.261 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.877 6.797 13.681 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.274 6.922 11.625 1.00 0.00 C ATOM 0 H LEU A 140 -2.607 8.152 11.674 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.827 9.181 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.318 9.215 13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.877 9.319 12.396 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.119 6.989 11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.932 5.709 13.643 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.936 7.097 14.142 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.709 7.182 14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.319 5.833 11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.107 7.303 12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.338 7.316 10.611 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.826 11.304 11.653 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.500 12.750 11.814 1.00 0.00 C ATOM 2256 C GLN A 141 -2.131 13.376 10.466 1.00 0.00 C ATOM 2257 O GLN A 141 -2.672 14.394 10.079 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.296 12.873 12.746 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.740 13.390 14.113 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.841 14.916 14.067 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.517 15.488 13.107 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.288 15.598 14.909 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.096 10.665 11.967 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.370 13.266 12.220 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.811 11.903 12.856 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.560 13.551 12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.704 12.958 14.383 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.028 13.084 14.879 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -0.760 15.153 15.659 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.353 16.615 14.865 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.203 12.793 9.758 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.801 13.378 8.449 1.00 0.00 C ATOM 2273 C GLU A 142 -1.978 13.310 7.478 1.00 0.00 C ATOM 2274 O GLU A 142 -2.204 14.214 6.701 1.00 0.00 O ATOM 2275 CB GLU A 142 0.387 12.603 7.877 1.00 0.00 C ATOM 2276 CG GLU A 142 1.585 12.728 8.818 1.00 0.00 C ATOM 2277 CD GLU A 142 2.797 12.031 8.193 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.615 11.353 7.195 1.00 0.00 O ATOM 2279 OE2 GLU A 142 3.883 12.189 8.723 1.00 0.00 O ATOM 0 H GLU A 142 -0.709 11.942 10.027 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.510 14.419 8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.121 11.554 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.645 12.989 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.810 13.779 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.351 12.279 9.784 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.740 12.251 7.520 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.904 12.150 6.598 1.00 0.00 C ATOM 2289 C GLY A 143 -4.800 13.367 6.814 1.00 0.00 C ATOM 2290 O GLY A 143 -5.203 14.029 5.880 1.00 0.00 O ATOM 0 H GLY A 143 -2.608 11.458 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.565 12.108 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.460 11.232 6.789 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.101 13.675 8.045 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.956 14.861 8.326 1.00 0.00 C ATOM 2296 C HIS A 144 -5.219 16.120 7.869 1.00 0.00 C ATOM 2297 O HIS A 144 -5.791 17.009 7.270 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.224 14.952 9.830 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.233 16.035 10.096 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.601 16.006 10.216 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.865 17.361 10.279 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -9.072 17.289 10.467 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.990 18.069 10.496 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.792 13.157 8.868 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.903 14.768 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.594 13.997 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.297 15.165 10.363 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.859 17.754 10.252 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -10.099 17.591 10.609 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -8.012 19.075 10.662 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.950 16.199 8.160 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.155 17.393 7.761 1.00 0.00 C ATOM 2314 C GLN A 145 -3.173 17.559 6.242 1.00 0.00 C ATOM 2315 O GLN A 145 -3.345 18.646 5.728 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.707 17.203 8.224 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.924 18.499 8.006 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.356 19.539 9.041 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.154 19.354 10.224 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.948 20.630 8.642 1.00 0.00 N ATOM 0 H GLN A 145 -3.426 15.481 8.661 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.589 18.281 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.685 16.926 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.242 16.388 7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.146 18.308 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.101 18.878 6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -2.117 20.784 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -2.242 21.329 9.324 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.981 16.492 5.518 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.967 16.587 4.031 1.00 0.00 C ATOM 2331 C PHE A 146 -4.371 16.866 3.483 1.00 0.00 C ATOM 2332 O PHE A 146 -4.566 17.745 2.670 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.447 15.275 3.450 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.433 15.365 1.945 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.604 15.109 1.227 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.258 15.712 1.268 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.606 15.196 -0.167 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.257 15.800 -0.131 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.431 15.541 -0.847 1.00 0.00 C ATOM 0 H PHE A 146 -2.833 15.555 5.893 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.316 17.412 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.443 15.072 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.079 14.447 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.510 14.843 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.353 15.912 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.512 14.998 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.352 16.067 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.431 15.607 -1.925 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.352 16.114 3.903 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.730 16.335 3.379 1.00 0.00 C ATOM 2351 C LEU A 147 -7.149 17.788 3.611 1.00 0.00 C ATOM 2352 O LEU A 147 -7.846 18.376 2.809 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.708 15.389 4.081 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.373 13.945 3.707 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.355 12.996 4.385 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.490 13.767 2.192 1.00 0.00 C ATOM 0 H LEU A 147 -5.260 15.360 4.583 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.743 16.131 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.646 15.520 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.732 15.624 3.789 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.357 13.722 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.112 11.968 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.287 13.113 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.369 13.227 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.251 12.737 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.508 13.996 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.795 14.441 1.692 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.725 18.377 4.689 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.096 19.795 4.950 1.00 0.00 C ATOM 2370 C CYS A 148 -6.318 20.703 3.994 1.00 0.00 C ATOM 2371 O CYS A 148 -6.630 21.865 3.833 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.751 20.160 6.395 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.911 19.342 7.518 1.00 0.00 S ATOM 0 H CYS A 148 -6.139 17.941 5.401 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.166 19.927 4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.730 19.855 6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.799 21.241 6.530 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.439 19.375 8.729 1.00 0.00 H new ATOM 2379 N SER A 149 -5.293 20.181 3.371 1.00 0.00 N ATOM 2380 CA SER A 149 -4.474 21.009 2.435 1.00 0.00 C ATOM 2381 C SER A 149 -5.045 20.955 1.017 1.00 0.00 C ATOM 2382 O SER A 149 -4.595 21.663 0.138 1.00 0.00 O ATOM 2383 CB SER A 149 -3.046 20.472 2.405 1.00 0.00 C ATOM 2384 OG SER A 149 -2.279 21.121 3.408 1.00 0.00 O ATOM 0 H SER A 149 -4.987 19.213 3.471 1.00 0.00 H new ATOM 0 HA SER A 149 -4.490 22.041 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.047 19.395 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.602 20.642 1.424 1.00 0.00 H new ATOM 0 HG SER A 149 -1.362 20.777 3.392 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.012 20.119 0.770 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.566 20.035 -0.609 1.00 0.00 C ATOM 2392 C ILE A 150 -7.541 21.188 -0.852 1.00 0.00 C ATOM 2393 O ILE A 150 -7.214 22.344 -0.674 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.292 18.701 -0.802 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.603 17.604 0.014 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.246 18.319 -2.279 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.437 16.325 -0.064 1.00 0.00 C ATOM 0 H ILE A 150 -6.440 19.496 1.455 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.744 20.103 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.324 18.804 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.600 17.423 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.494 17.919 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.761 17.370 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.736 19.093 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.208 18.222 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.952 15.539 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.431 16.514 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.523 16.009 -1.104 1.00 0.00 H new