USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HE2:sc= -3.08! C(o=-4.6!,f=-17!) USER MOD Set 1.2: A 92 SER OG : rot 138:sc= -2.19! USER MOD Set 1.3: A 108 CYS SG : rot 106:sc= 0.653 USER MOD Set 2.1: A 14 SER OG : rot -108:sc= 0.161 USER MOD Set 2.2: A 90 THR OG1 : rot 3:sc= -1 USER MOD Set 2.3: A 110 ASN : amide:sc= 1.59 X(o=0.75,f=0.3) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.404 K(o=-0.4,f=-6.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 27 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.4) USER MOD Single : A 29 CYS SG : rot 84:sc= -0.0855 USER MOD Single : A 32 THR OG1 : rot 85:sc= 0.822 USER MOD Single : A 35 TYR OH : rot -128:sc= 1.43 USER MOD Single : A 36 GLN : amide:sc= -2.63 K(o=-2.6,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.28) USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= 1.01 (180deg=-0.0787) USER MOD Single : A 44 ASN : amide:sc= -0.569 K(o=-0.57,f=-12!) USER MOD Single : A 49 CYS SG : rot 90:sc= -3.35! USER MOD Single : A 50 HIS : no HD1:sc= -1.61! C(o=-1.6!,f=-4.1!) USER MOD Single : A 54 GLN : amide:sc= 0.0745 K(o=0.074,f=-0.45) USER MOD Single : A 55 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.03) USER MOD Single : A 60 SER OG : rot 78:sc= 1.07 USER MOD Single : A 62 GLN : amide:sc= -0.935 K(o=-0.93,f=-0.023) USER MOD Single : A 63 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.67) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc=-0.00883 (180deg=-0.14) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.21) USER MOD Single : A 73 SER OG : rot 33:sc= 0.0637 USER MOD Single : A 75 MET CE :methyl -133:sc= -0.409 (180deg=-3.55!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.158 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= -0.0918 (180deg=-0.389) USER MOD Single : A 82 ASN : amide:sc= 1.14 K(o=1.1,f=-0.19) USER MOD Single : A 83 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.39) USER MOD Single : A 88 MET CE :methyl 175:sc= -1.39 (180deg=-1.58) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -127:sc= -2.42! USER MOD Single : A 96 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.37) USER MOD Single : A 105 TYR OH : rot 180:sc= 0.638 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.294 11.191 -10.270 1.00 0.00 N ATOM 108 CA PRO A 9 -2.205 9.864 -10.900 1.00 0.00 C ATOM 109 C PRO A 9 -2.826 8.765 -10.033 1.00 0.00 C ATOM 110 O PRO A 9 -3.049 8.958 -8.838 1.00 0.00 O ATOM 111 CB PRO A 9 -0.699 9.644 -11.052 1.00 0.00 C ATOM 112 CG PRO A 9 -0.107 11.008 -11.047 1.00 0.00 C ATOM 113 CD PRO A 9 -0.976 11.831 -10.142 1.00 0.00 C ATOM 0 HA PRO A 9 -2.751 9.822 -11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.304 9.040 -10.235 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.469 9.117 -11.978 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.921 10.986 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.083 11.427 -12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.617 11.812 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.004 12.876 -10.451 1.00 0.00 H new ATOM 121 N THR A 10 -3.088 7.607 -10.635 1.00 0.00 N ATOM 122 CA THR A 10 -3.843 6.555 -9.965 1.00 0.00 C ATOM 123 C THR A 10 -2.925 5.487 -9.372 1.00 0.00 C ATOM 124 O THR A 10 -3.354 4.365 -9.088 1.00 0.00 O ATOM 125 CB THR A 10 -4.842 5.902 -10.938 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.120 6.805 -12.017 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.145 5.565 -10.229 1.00 0.00 C ATOM 0 H THR A 10 -2.789 7.375 -11.582 1.00 0.00 H new ATOM 0 HA THR A 10 -4.390 7.022 -9.146 1.00 0.00 H new ATOM 0 HB THR A 10 -4.398 4.983 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.754 6.388 -12.637 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.835 5.105 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.946 4.871 -9.412 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.589 6.477 -9.830 1.00 0.00 H new ATOM 135 N GLU A 11 -1.657 5.823 -9.219 1.00 0.00 N ATOM 136 CA GLU A 11 -0.739 4.987 -8.468 1.00 0.00 C ATOM 137 C GLU A 11 0.076 5.855 -7.514 1.00 0.00 C ATOM 138 O GLU A 11 0.540 6.932 -7.889 1.00 0.00 O ATOM 139 CB GLU A 11 0.189 4.174 -9.393 1.00 0.00 C ATOM 140 CG GLU A 11 1.263 4.986 -10.110 1.00 0.00 C ATOM 141 CD GLU A 11 0.741 5.740 -11.317 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.107 6.794 -11.141 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.992 5.286 -12.452 1.00 0.00 O ATOM 0 H GLU A 11 -1.239 6.670 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.325 4.268 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.676 3.398 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.422 3.668 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.700 5.696 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.063 4.317 -10.427 1.00 0.00 H new ATOM 150 N PHE A 12 0.232 5.405 -6.277 1.00 0.00 N ATOM 151 CA PHE A 12 0.985 6.175 -5.298 1.00 0.00 C ATOM 152 C PHE A 12 2.060 5.327 -4.639 1.00 0.00 C ATOM 153 O PHE A 12 1.929 4.107 -4.529 1.00 0.00 O ATOM 154 CB PHE A 12 0.060 6.796 -4.236 1.00 0.00 C ATOM 155 CG PHE A 12 -0.594 5.827 -3.281 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.771 5.176 -3.619 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.047 5.598 -2.026 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.385 4.313 -2.731 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.661 4.739 -1.129 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.831 4.094 -1.483 1.00 0.00 C ATOM 0 H PHE A 12 -0.147 4.523 -5.931 1.00 0.00 H new ATOM 0 HA PHE A 12 1.474 6.988 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.638 7.514 -3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.723 7.356 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.214 5.346 -4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.869 6.096 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.298 3.809 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.226 4.574 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.311 3.421 -0.787 1.00 0.00 H new ATOM 170 N ILE A 13 3.129 5.985 -4.219 1.00 0.00 N ATOM 171 CA ILE A 13 4.215 5.321 -3.523 1.00 0.00 C ATOM 172 C ILE A 13 4.064 5.516 -2.025 1.00 0.00 C ATOM 173 O ILE A 13 4.032 6.649 -1.537 1.00 0.00 O ATOM 174 CB ILE A 13 5.592 5.859 -3.965 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.750 5.748 -5.483 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.710 5.105 -3.255 1.00 0.00 C ATOM 177 CD1 ILE A 13 7.041 6.338 -6.005 1.00 0.00 C ATOM 0 H ILE A 13 3.266 6.987 -4.351 1.00 0.00 H new ATOM 0 HA ILE A 13 4.165 4.261 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 13 5.656 6.912 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.699 4.697 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.911 6.250 -5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.675 5.496 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.608 5.233 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.648 4.045 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.082 6.222 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.086 7.397 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.887 5.820 -5.553 1.00 0.00 H new ATOM 189 N SER A 14 3.956 4.420 -1.304 1.00 0.00 N ATOM 190 CA SER A 14 3.825 4.476 0.132 1.00 0.00 C ATOM 191 C SER A 14 5.003 3.780 0.799 1.00 0.00 C ATOM 192 O SER A 14 5.302 2.623 0.511 1.00 0.00 O ATOM 193 CB SER A 14 2.499 3.845 0.563 1.00 0.00 C ATOM 194 OG SER A 14 2.374 2.515 0.078 1.00 0.00 O ATOM 0 H SER A 14 3.957 3.477 -1.693 1.00 0.00 H new ATOM 0 HA SER A 14 3.827 5.519 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.431 3.845 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.670 4.448 0.192 1.00 0.00 H new ATOM 0 HG SER A 14 1.702 2.489 -0.635 1.00 0.00 H new ATOM 200 N ARG A 15 5.685 4.489 1.677 1.00 0.00 N ATOM 201 CA ARG A 15 6.773 3.906 2.437 1.00 0.00 C ATOM 202 C ARG A 15 6.275 3.700 3.852 1.00 0.00 C ATOM 203 O ARG A 15 5.787 4.642 4.480 1.00 0.00 O ATOM 204 CB ARG A 15 8.000 4.821 2.426 1.00 0.00 C ATOM 205 CG ARG A 15 8.452 5.212 1.027 1.00 0.00 C ATOM 206 CD ARG A 15 9.709 6.062 1.069 1.00 0.00 C ATOM 207 NE ARG A 15 9.995 6.686 -0.223 1.00 0.00 N ATOM 208 CZ ARG A 15 11.177 7.207 -0.556 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.228 7.057 0.242 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.313 7.845 -1.709 1.00 0.00 N ATOM 0 H ARG A 15 5.504 5.472 1.882 1.00 0.00 H new ATOM 0 HA ARG A 15 7.078 2.958 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.775 5.725 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.822 4.320 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.638 4.314 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.655 5.762 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.597 6.836 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.555 5.443 1.367 1.00 0.00 H new ATOM 0 HE ARG A 15 9.244 6.725 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.135 6.540 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.128 7.458 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.516 7.936 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.215 8.245 -1.967 1.00 0.00 H new ATOM 224 N HIS A 16 6.352 2.482 4.348 1.00 0.00 N ATOM 225 CA HIS A 16 5.698 2.175 5.606 1.00 0.00 C ATOM 226 C HIS A 16 6.463 1.171 6.446 1.00 0.00 C ATOM 227 O HIS A 16 7.276 0.390 5.943 1.00 0.00 O ATOM 228 CB HIS A 16 4.256 1.691 5.363 1.00 0.00 C ATOM 229 CG HIS A 16 4.105 0.442 4.548 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.043 -0.420 4.708 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.851 -0.071 3.544 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.146 -1.407 3.842 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.233 -1.221 3.121 1.00 0.00 N ATOM 0 H HIS A 16 6.848 1.704 3.913 1.00 0.00 H new ATOM 0 HA HIS A 16 5.675 3.103 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.782 1.528 6.331 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.705 2.491 4.869 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.293 -0.311 5.391 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.765 0.347 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.455 -2.231 3.740 1.00 0.00 H new ATOM 242 N ASN A 17 6.163 1.212 7.735 1.00 0.00 N ATOM 243 CA ASN A 17 6.708 0.297 8.719 1.00 0.00 C ATOM 244 C ASN A 17 6.341 -1.129 8.340 1.00 0.00 C ATOM 245 O ASN A 17 5.255 -1.370 7.811 1.00 0.00 O ATOM 246 CB ASN A 17 6.146 0.668 10.099 1.00 0.00 C ATOM 247 CG ASN A 17 6.074 -0.499 11.064 1.00 0.00 C ATOM 248 OD1 ASN A 17 5.101 -1.247 11.070 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.084 -0.655 11.900 1.00 0.00 N ATOM 0 H ASN A 17 5.520 1.897 8.132 1.00 0.00 H new ATOM 0 HA ASN A 17 7.795 0.369 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.767 1.451 10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.147 1.086 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.071 -1.416 12.579 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.877 -0.014 11.867 1.00 0.00 H new ATOM 256 N ILE A 18 7.261 -2.054 8.619 1.00 0.00 N ATOM 257 CA ILE A 18 7.188 -3.441 8.144 1.00 0.00 C ATOM 258 C ILE A 18 5.869 -4.136 8.478 1.00 0.00 C ATOM 259 O ILE A 18 5.483 -5.084 7.799 1.00 0.00 O ATOM 260 CB ILE A 18 8.349 -4.282 8.710 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.370 -4.208 10.241 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.673 -3.808 8.128 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.457 -5.047 10.877 1.00 0.00 C ATOM 0 H ILE A 18 8.087 -1.862 9.186 1.00 0.00 H new ATOM 0 HA ILE A 18 7.260 -3.375 7.058 1.00 0.00 H new ATOM 0 HB ILE A 18 8.199 -5.323 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.502 -3.169 10.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.402 -4.532 10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.486 -4.410 8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.652 -3.913 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.831 -2.761 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.409 -4.944 11.961 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.315 -6.093 10.605 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.431 -4.709 10.523 1.00 0.00 H new ATOM 275 N GLU A 19 5.187 -3.672 9.515 1.00 0.00 N ATOM 276 CA GLU A 19 3.911 -4.254 9.912 1.00 0.00 C ATOM 277 C GLU A 19 2.790 -3.775 9.003 1.00 0.00 C ATOM 278 O GLU A 19 1.693 -4.333 9.011 1.00 0.00 O ATOM 279 CB GLU A 19 3.602 -3.893 11.360 1.00 0.00 C ATOM 280 CG GLU A 19 4.633 -4.424 12.331 1.00 0.00 C ATOM 281 CD GLU A 19 4.433 -3.926 13.743 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.395 -3.293 14.022 1.00 0.00 O ATOM 283 OE2 GLU A 19 5.328 -4.160 14.584 1.00 0.00 O ATOM 0 H GLU A 19 5.495 -2.894 10.098 1.00 0.00 H new ATOM 0 HA GLU A 19 3.985 -5.338 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.545 -2.809 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.622 -4.288 11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.598 -5.513 12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.627 -4.136 11.989 1.00 0.00 H new ATOM 290 N GLY A 20 3.082 -2.755 8.203 1.00 0.00 N ATOM 291 CA GLY A 20 2.090 -2.206 7.310 1.00 0.00 C ATOM 292 C GLY A 20 1.717 -0.781 7.658 1.00 0.00 C ATOM 293 O GLY A 20 0.862 -0.190 6.998 1.00 0.00 O ATOM 0 H GLY A 20 3.994 -2.300 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.468 -2.239 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.196 -2.829 7.339 1.00 0.00 H new ATOM 297 N ILE A 21 2.391 -0.211 8.654 1.00 0.00 N ATOM 298 CA ILE A 21 2.010 1.103 9.185 1.00 0.00 C ATOM 299 C ILE A 21 2.574 2.225 8.318 1.00 0.00 C ATOM 300 O ILE A 21 3.783 2.433 8.276 1.00 0.00 O ATOM 301 CB ILE A 21 2.511 1.302 10.636 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.081 0.130 11.530 1.00 0.00 C ATOM 303 CG2 ILE A 21 1.995 2.619 11.205 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.583 -0.081 11.592 1.00 0.00 C ATOM 0 H ILE A 21 3.200 -0.633 9.110 1.00 0.00 H new ATOM 0 HA ILE A 21 0.921 1.139 9.177 1.00 0.00 H new ATOM 0 HB ILE A 21 3.600 1.334 10.615 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.551 -0.783 11.165 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.456 0.300 12.539 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.358 2.741 12.226 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.353 3.446 10.591 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.905 2.613 11.205 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.361 -0.927 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.105 0.816 11.986 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.202 -0.284 10.591 1.00 0.00 H new ATOM 316 N PHE A 22 1.696 2.940 7.625 1.00 0.00 N ATOM 317 CA PHE A 22 2.117 4.006 6.720 1.00 0.00 C ATOM 318 C PHE A 22 2.803 5.143 7.467 1.00 0.00 C ATOM 319 O PHE A 22 2.203 5.783 8.336 1.00 0.00 O ATOM 320 CB PHE A 22 0.922 4.547 5.934 1.00 0.00 C ATOM 321 CG PHE A 22 0.322 3.549 4.988 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.886 3.333 3.741 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.806 2.832 5.342 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.333 2.419 2.866 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.362 1.920 4.472 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.794 1.712 3.232 1.00 0.00 C ATOM 0 H PHE A 22 0.686 2.802 7.672 1.00 0.00 H new ATOM 0 HA PHE A 22 2.838 3.575 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.155 4.876 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.236 5.425 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.767 3.885 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.256 2.989 6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.782 2.258 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.244 1.367 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.230 0.998 2.550 1.00 0.00 H new ATOM 336 N THR A 23 4.066 5.383 7.131 1.00 0.00 N ATOM 337 CA THR A 23 4.833 6.453 7.742 1.00 0.00 C ATOM 338 C THR A 23 5.069 7.600 6.757 1.00 0.00 C ATOM 339 O THR A 23 5.174 8.761 7.157 1.00 0.00 O ATOM 340 CB THR A 23 6.182 5.928 8.268 1.00 0.00 C ATOM 341 OG1 THR A 23 6.788 5.078 7.285 1.00 0.00 O ATOM 342 CG2 THR A 23 5.995 5.154 9.565 1.00 0.00 C ATOM 0 H THR A 23 4.580 4.845 6.433 1.00 0.00 H new ATOM 0 HA THR A 23 4.251 6.834 8.581 1.00 0.00 H new ATOM 0 HB THR A 23 6.829 6.783 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.647 4.748 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.962 4.794 9.916 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.556 5.808 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.333 4.306 9.390 1.00 0.00 H new ATOM 350 N PHE A 24 5.147 7.271 5.472 1.00 0.00 N ATOM 351 CA PHE A 24 5.290 8.276 4.425 1.00 0.00 C ATOM 352 C PHE A 24 4.422 7.917 3.221 1.00 0.00 C ATOM 353 O PHE A 24 4.557 6.835 2.649 1.00 0.00 O ATOM 354 CB PHE A 24 6.759 8.400 3.998 1.00 0.00 C ATOM 355 CG PHE A 24 6.971 9.324 2.831 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.801 10.691 2.972 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.343 8.824 1.592 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.994 11.542 1.899 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.538 9.668 0.517 1.00 0.00 C ATOM 360 CZ PHE A 24 7.364 11.030 0.671 1.00 0.00 C ATOM 0 H PHE A 24 5.113 6.311 5.129 1.00 0.00 H new ATOM 0 HA PHE A 24 4.959 9.236 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.346 8.757 4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.139 7.411 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.514 11.097 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.482 7.760 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.855 12.606 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.826 9.264 -0.442 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.517 11.693 -0.168 1.00 0.00 H new ATOM 370 N VAL A 25 3.528 8.825 2.846 1.00 0.00 N ATOM 371 CA VAL A 25 2.635 8.607 1.714 1.00 0.00 C ATOM 372 C VAL A 25 2.679 9.794 0.757 1.00 0.00 C ATOM 373 O VAL A 25 2.670 10.949 1.186 1.00 0.00 O ATOM 374 CB VAL A 25 1.174 8.389 2.174 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.234 8.330 0.978 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.057 7.123 3.009 1.00 0.00 C ATOM 0 H VAL A 25 3.402 9.723 3.312 1.00 0.00 H new ATOM 0 HA VAL A 25 2.981 7.708 1.204 1.00 0.00 H new ATOM 0 HB VAL A 25 0.884 9.237 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.788 8.176 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.292 9.267 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.524 7.505 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.022 6.988 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.371 6.265 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.694 7.207 3.889 1.00 0.00 H new ATOM 386 N ASP A 26 2.734 9.505 -0.539 1.00 0.00 N ATOM 387 CA ASP A 26 2.704 10.539 -1.563 1.00 0.00 C ATOM 388 C ASP A 26 1.266 10.940 -1.891 1.00 0.00 C ATOM 389 O ASP A 26 0.343 10.133 -1.807 1.00 0.00 O ATOM 390 CB ASP A 26 3.405 10.054 -2.831 1.00 0.00 C ATOM 391 CG ASP A 26 3.399 11.109 -3.914 1.00 0.00 C ATOM 392 OD1 ASP A 26 4.320 11.949 -3.940 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.465 11.115 -4.736 1.00 0.00 O ATOM 0 H ASP A 26 2.800 8.555 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 26 3.230 11.411 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.434 9.780 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.912 9.154 -3.198 1.00 0.00 H new ATOM 398 N HIS A 27 1.114 12.208 -2.275 1.00 0.00 N ATOM 399 CA HIS A 27 -0.187 12.855 -2.508 1.00 0.00 C ATOM 400 C HIS A 27 -1.056 12.097 -3.507 1.00 0.00 C ATOM 401 O HIS A 27 -2.272 12.277 -3.525 1.00 0.00 O ATOM 402 CB HIS A 27 0.033 14.272 -3.038 1.00 0.00 C ATOM 403 CG HIS A 27 1.077 15.058 -2.302 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.334 15.305 -2.822 1.00 0.00 N ATOM 405 CD2 HIS A 27 1.054 15.647 -1.085 1.00 0.00 C ATOM 406 CE1 HIS A 27 3.035 16.010 -1.953 1.00 0.00 C ATOM 407 NE2 HIS A 27 2.282 16.231 -0.894 1.00 0.00 N ATOM 0 H HIS A 27 1.905 12.831 -2.437 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.708 12.866 -1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.315 14.213 -4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.911 14.814 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.225 15.656 -0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.052 16.348 -2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.566 16.753 -0.065 1.00 0.00 H new ATOM 416 N ARG A 28 -0.437 11.262 -4.335 1.00 0.00 N ATOM 417 CA ARG A 28 -1.167 10.474 -5.329 1.00 0.00 C ATOM 418 C ARG A 28 -2.138 9.487 -4.672 1.00 0.00 C ATOM 419 O ARG A 28 -2.953 8.857 -5.350 1.00 0.00 O ATOM 420 CB ARG A 28 -0.181 9.733 -6.234 1.00 0.00 C ATOM 421 CG ARG A 28 0.530 10.645 -7.223 1.00 0.00 C ATOM 422 CD ARG A 28 1.694 9.948 -7.909 1.00 0.00 C ATOM 423 NE ARG A 28 2.881 9.894 -7.058 1.00 0.00 N ATOM 424 CZ ARG A 28 4.020 9.293 -7.404 1.00 0.00 C ATOM 425 NH1 ARG A 28 4.110 8.643 -8.558 1.00 0.00 N ATOM 426 NH2 ARG A 28 5.074 9.335 -6.594 1.00 0.00 N ATOM 0 H ARG A 28 0.572 11.111 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.761 11.162 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.562 9.230 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.715 8.958 -6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.181 10.988 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.894 11.530 -6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.399 8.935 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.935 10.471 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 28 2.835 10.344 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.306 8.602 -9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.983 8.185 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.013 9.829 -5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.943 8.874 -6.863 1.00 0.00 H new ATOM 440 N CYS A 29 -2.056 9.362 -3.350 1.00 0.00 N ATOM 441 CA CYS A 29 -2.953 8.497 -2.596 1.00 0.00 C ATOM 442 C CYS A 29 -4.400 8.957 -2.706 1.00 0.00 C ATOM 443 O CYS A 29 -5.316 8.139 -2.731 1.00 0.00 O ATOM 444 CB CYS A 29 -2.526 8.455 -1.134 1.00 0.00 C ATOM 445 SG CYS A 29 -2.470 10.078 -0.352 1.00 0.00 S ATOM 0 H CYS A 29 -1.371 9.854 -2.777 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.890 7.496 -3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.216 7.818 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.541 7.993 -1.065 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.660 10.405 0.056 1.00 0.00 H new ATOM 451 N VAL A 30 -4.598 10.264 -2.806 1.00 0.00 N ATOM 452 CA VAL A 30 -5.937 10.830 -2.800 1.00 0.00 C ATOM 453 C VAL A 30 -6.711 10.410 -4.041 1.00 0.00 C ATOM 454 O VAL A 30 -7.924 10.229 -3.997 1.00 0.00 O ATOM 455 CB VAL A 30 -5.900 12.374 -2.686 1.00 0.00 C ATOM 456 CG1 VAL A 30 -4.945 12.787 -1.580 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.506 13.033 -4.001 1.00 0.00 C ATOM 0 H VAL A 30 -3.849 10.951 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.451 10.440 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.906 12.715 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.924 13.874 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.281 12.364 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.944 12.419 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.493 14.116 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.515 12.690 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.228 12.766 -4.773 1.00 0.00 H new ATOM 467 N ALA A 31 -6.007 10.231 -5.146 1.00 0.00 N ATOM 468 CA ALA A 31 -6.663 9.798 -6.368 1.00 0.00 C ATOM 469 C ALA A 31 -6.897 8.293 -6.349 1.00 0.00 C ATOM 470 O ALA A 31 -8.020 7.827 -6.550 1.00 0.00 O ATOM 471 CB ALA A 31 -5.837 10.191 -7.576 1.00 0.00 C ATOM 0 H ALA A 31 -5.000 10.375 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.632 10.293 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.341 9.860 -8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.720 11.274 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.855 9.721 -7.514 1.00 0.00 H new ATOM 477 N THR A 32 -5.831 7.549 -6.097 1.00 0.00 N ATOM 478 CA THR A 32 -5.889 6.097 -6.002 1.00 0.00 C ATOM 479 C THR A 32 -6.919 5.614 -4.980 1.00 0.00 C ATOM 480 O THR A 32 -7.817 4.838 -5.311 1.00 0.00 O ATOM 481 CB THR A 32 -4.508 5.544 -5.607 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.482 6.275 -6.298 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.390 4.070 -5.951 1.00 0.00 C ATOM 0 H THR A 32 -4.898 7.936 -5.952 1.00 0.00 H new ATOM 0 HA THR A 32 -6.190 5.730 -6.983 1.00 0.00 H new ATOM 0 HB THR A 32 -4.390 5.659 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.267 7.090 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.404 3.706 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.156 3.509 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.525 3.935 -7.024 1.00 0.00 H new ATOM 491 N VAL A 33 -6.806 6.079 -3.741 1.00 0.00 N ATOM 492 CA VAL A 33 -7.593 5.508 -2.657 1.00 0.00 C ATOM 493 C VAL A 33 -8.355 6.572 -1.877 1.00 0.00 C ATOM 494 O VAL A 33 -8.886 6.299 -0.805 1.00 0.00 O ATOM 495 CB VAL A 33 -6.705 4.701 -1.686 1.00 0.00 C ATOM 496 CG1 VAL A 33 -5.972 3.605 -2.435 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.718 5.606 -0.959 1.00 0.00 C ATOM 0 H VAL A 33 -6.185 6.840 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.317 4.840 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.350 4.244 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.349 3.043 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.696 2.934 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.344 4.049 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.107 5.009 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.075 6.102 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.265 6.356 -0.387 1.00 0.00 H new ATOM 507 N GLY A 34 -8.395 7.788 -2.407 1.00 0.00 N ATOM 508 CA GLY A 34 -9.170 8.845 -1.784 1.00 0.00 C ATOM 509 C GLY A 34 -8.531 9.427 -0.533 1.00 0.00 C ATOM 510 O GLY A 34 -8.745 10.595 -0.213 1.00 0.00 O ATOM 0 H GLY A 34 -7.904 8.062 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.321 9.646 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.156 8.456 -1.529 1.00 0.00 H new ATOM 514 N TYR A 35 -7.752 8.622 0.176 1.00 0.00 N ATOM 515 CA TYR A 35 -7.142 9.067 1.418 1.00 0.00 C ATOM 516 C TYR A 35 -6.068 10.089 1.132 1.00 0.00 C ATOM 517 O TYR A 35 -5.302 9.952 0.182 1.00 0.00 O ATOM 518 CB TYR A 35 -6.514 7.905 2.194 1.00 0.00 C ATOM 519 CG TYR A 35 -7.488 6.847 2.663 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.726 7.191 3.185 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.151 5.502 2.604 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.605 6.224 3.636 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.021 4.526 3.048 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.247 4.891 3.564 1.00 0.00 C ATOM 525 OH TYR A 35 -10.117 3.921 4.010 1.00 0.00 O ATOM 0 H TYR A 35 -7.529 7.662 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.934 9.505 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.762 7.431 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.993 8.308 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.008 8.232 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.190 5.213 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.565 6.508 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.743 3.484 2.992 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.655 3.333 4.643 1.00 0.00 H new ATOM 535 N GLN A 36 -6.017 11.116 1.953 1.00 0.00 N ATOM 536 CA GLN A 36 -4.947 12.085 1.861 1.00 0.00 C ATOM 537 C GLN A 36 -3.765 11.521 2.635 1.00 0.00 C ATOM 538 O GLN A 36 -3.969 10.717 3.543 1.00 0.00 O ATOM 539 CB GLN A 36 -5.359 13.464 2.421 1.00 0.00 C ATOM 540 CG GLN A 36 -6.833 13.609 2.808 1.00 0.00 C ATOM 541 CD GLN A 36 -7.772 13.888 1.639 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.764 14.600 1.792 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.499 13.302 0.487 1.00 0.00 N ATOM 0 H GLN A 36 -6.700 11.301 2.688 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.690 12.250 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.749 13.676 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.121 14.224 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.156 12.695 3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.927 14.417 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.667 12.718 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.120 13.433 -0.312 1.00 0.00 H new ATOM 552 N PRO A 37 -2.529 11.909 2.286 1.00 0.00 N ATOM 553 CA PRO A 37 -1.317 11.331 2.883 1.00 0.00 C ATOM 554 C PRO A 37 -1.403 11.216 4.405 1.00 0.00 C ATOM 555 O PRO A 37 -1.193 10.143 4.966 1.00 0.00 O ATOM 556 CB PRO A 37 -0.227 12.317 2.470 1.00 0.00 C ATOM 557 CG PRO A 37 -0.705 12.873 1.174 1.00 0.00 C ATOM 558 CD PRO A 37 -2.205 12.938 1.275 1.00 0.00 C ATOM 0 HA PRO A 37 -1.140 10.310 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.097 13.101 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.737 11.820 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.283 13.862 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.398 12.240 0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.544 13.926 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.681 12.724 0.318 1.00 0.00 H new ATOM 566 N GLN A 38 -1.773 12.317 5.050 1.00 0.00 N ATOM 567 CA GLN A 38 -1.867 12.367 6.507 1.00 0.00 C ATOM 568 C GLN A 38 -2.877 11.347 7.028 1.00 0.00 C ATOM 569 O GLN A 38 -2.618 10.659 8.013 1.00 0.00 O ATOM 570 CB GLN A 38 -2.258 13.773 6.970 1.00 0.00 C ATOM 571 CG GLN A 38 -1.329 14.863 6.457 1.00 0.00 C ATOM 572 CD GLN A 38 0.127 14.640 6.830 1.00 0.00 C ATOM 573 OE1 GLN A 38 1.031 14.996 6.073 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.373 14.088 8.008 1.00 0.00 N ATOM 0 H GLN A 38 -2.014 13.192 4.585 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.887 12.118 6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.274 13.987 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.267 13.798 8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.414 14.921 5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.655 15.824 6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.400 13.805 8.610 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.336 13.946 8.314 1.00 0.00 H new ATOM 583 N GLU A 39 -4.000 11.223 6.326 1.00 0.00 N ATOM 584 CA GLU A 39 -5.089 10.344 6.745 1.00 0.00 C ATOM 585 C GLU A 39 -4.640 8.894 6.790 1.00 0.00 C ATOM 586 O GLU A 39 -5.144 8.097 7.583 1.00 0.00 O ATOM 587 CB GLU A 39 -6.273 10.480 5.790 1.00 0.00 C ATOM 588 CG GLU A 39 -7.002 11.805 5.908 1.00 0.00 C ATOM 589 CD GLU A 39 -7.691 11.964 7.244 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.842 11.499 7.379 1.00 0.00 O ATOM 591 OE2 GLU A 39 -7.089 12.552 8.161 1.00 0.00 O ATOM 0 H GLU A 39 -4.181 11.725 5.457 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.391 10.644 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.918 10.360 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.977 9.670 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.293 12.621 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.740 11.883 5.110 1.00 0.00 H new ATOM 598 N LEU A 40 -3.698 8.554 5.929 1.00 0.00 N ATOM 599 CA LEU A 40 -3.207 7.196 5.843 1.00 0.00 C ATOM 600 C LEU A 40 -2.047 6.987 6.813 1.00 0.00 C ATOM 601 O LEU A 40 -1.800 5.871 7.273 1.00 0.00 O ATOM 602 CB LEU A 40 -2.781 6.901 4.404 1.00 0.00 C ATOM 603 CG LEU A 40 -2.641 5.424 4.042 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.923 4.671 4.363 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.302 5.283 2.567 1.00 0.00 C ATOM 0 H LEU A 40 -3.258 9.205 5.278 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.001 6.504 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.508 7.354 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.826 7.393 4.220 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.834 4.994 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.804 3.620 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.137 4.755 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.748 5.098 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.204 4.227 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.097 5.726 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.362 5.795 2.359 1.00 0.00 H new ATOM 617 N LEU A 41 -1.345 8.072 7.125 1.00 0.00 N ATOM 618 CA LEU A 41 -0.218 8.017 8.046 1.00 0.00 C ATOM 619 C LEU A 41 -0.675 7.612 9.443 1.00 0.00 C ATOM 620 O LEU A 41 -1.434 8.332 10.092 1.00 0.00 O ATOM 621 CB LEU A 41 0.502 9.366 8.109 1.00 0.00 C ATOM 622 CG LEU A 41 1.081 9.855 6.780 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.864 11.142 6.978 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.958 8.784 6.155 1.00 0.00 C ATOM 0 H LEU A 41 -1.538 9.001 6.752 1.00 0.00 H new ATOM 0 HA LEU A 41 0.476 7.265 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.196 10.116 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.311 9.295 8.836 1.00 0.00 H new ATOM 0 HG LEU A 41 0.254 10.061 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.268 11.473 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.204 11.911 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.683 10.966 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.361 9.149 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.779 8.545 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.365 7.888 5.974 1.00 0.00 H new ATOM 636 N GLY A 42 -0.211 6.457 9.894 1.00 0.00 N ATOM 637 CA GLY A 42 -0.575 5.973 11.209 1.00 0.00 C ATOM 638 C GLY A 42 -1.466 4.752 11.140 1.00 0.00 C ATOM 639 O GLY A 42 -1.688 4.073 12.146 1.00 0.00 O ATOM 0 H GLY A 42 0.414 5.844 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.329 5.731 11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.087 6.764 11.757 1.00 0.00 H new ATOM 643 N LYS A 43 -1.981 4.474 9.952 1.00 0.00 N ATOM 644 CA LYS A 43 -2.830 3.318 9.738 1.00 0.00 C ATOM 645 C LYS A 43 -2.037 2.176 9.117 1.00 0.00 C ATOM 646 O LYS A 43 -1.008 2.399 8.471 1.00 0.00 O ATOM 647 CB LYS A 43 -3.976 3.685 8.804 1.00 0.00 C ATOM 648 CG LYS A 43 -4.778 4.898 9.245 1.00 0.00 C ATOM 649 CD LYS A 43 -5.498 4.661 10.564 1.00 0.00 C ATOM 650 CE LYS A 43 -6.433 3.468 10.496 1.00 0.00 C ATOM 651 NZ LYS A 43 -7.107 3.208 11.796 1.00 0.00 N ATOM 0 H LYS A 43 -1.823 5.039 9.118 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.221 2.999 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.572 3.873 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.648 2.831 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.112 5.755 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.507 5.149 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.764 4.502 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.066 5.552 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.186 3.642 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.870 2.584 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.047 2.194 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.640 3.757 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.106 3.490 11.732 1.00 0.00 H new ATOM 665 N ASN A 44 -2.508 0.956 9.329 1.00 0.00 N ATOM 666 CA ASN A 44 -1.960 -0.208 8.648 1.00 0.00 C ATOM 667 C ASN A 44 -2.729 -0.439 7.352 1.00 0.00 C ATOM 668 O ASN A 44 -3.951 -0.277 7.306 1.00 0.00 O ATOM 669 CB ASN A 44 -2.071 -1.454 9.539 1.00 0.00 C ATOM 670 CG ASN A 44 -1.156 -2.582 9.093 1.00 0.00 C ATOM 671 OD1 ASN A 44 -0.925 -2.777 7.901 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.620 -3.331 10.046 1.00 0.00 N ATOM 0 H ASN A 44 -3.272 0.746 9.971 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.907 -0.028 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.830 -1.182 10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.102 -1.806 9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.006 -4.098 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.834 -3.141 11.025 1.00 0.00 H new ATOM 679 N ILE A 45 -2.002 -0.815 6.307 1.00 0.00 N ATOM 680 CA ILE A 45 -2.601 -1.139 5.016 1.00 0.00 C ATOM 681 C ILE A 45 -3.595 -2.294 5.153 1.00 0.00 C ATOM 682 O ILE A 45 -4.531 -2.417 4.369 1.00 0.00 O ATOM 683 CB ILE A 45 -1.510 -1.506 3.980 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.134 -1.810 2.614 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.679 -2.686 4.468 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.115 -2.086 1.531 1.00 0.00 C ATOM 0 H ILE A 45 -0.986 -0.904 6.329 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.135 -0.255 4.666 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.849 -0.647 3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.794 -2.673 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.754 -0.966 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.081 -2.927 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.196 -2.426 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.327 -3.550 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.629 -2.293 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.470 -1.216 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.510 -2.948 1.812 1.00 0.00 H new ATOM 698 N VAL A 46 -3.392 -3.119 6.175 1.00 0.00 N ATOM 699 CA VAL A 46 -4.264 -4.250 6.426 1.00 0.00 C ATOM 700 C VAL A 46 -5.613 -3.791 6.983 1.00 0.00 C ATOM 701 O VAL A 46 -6.632 -4.443 6.768 1.00 0.00 O ATOM 702 CB VAL A 46 -3.605 -5.249 7.400 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.512 -6.442 7.667 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.263 -5.717 6.855 1.00 0.00 C ATOM 0 H VAL A 46 -2.627 -3.021 6.842 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.434 -4.751 5.473 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.441 -4.733 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.019 -7.127 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.448 -6.096 8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.720 -6.958 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.812 -6.421 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.412 -6.207 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.603 -4.859 6.727 1.00 0.00 H new ATOM 714 N GLU A 47 -5.625 -2.648 7.668 1.00 0.00 N ATOM 715 CA GLU A 47 -6.862 -2.125 8.246 1.00 0.00 C ATOM 716 C GLU A 47 -7.882 -1.838 7.154 1.00 0.00 C ATOM 717 O GLU A 47 -9.076 -2.094 7.318 1.00 0.00 O ATOM 718 CB GLU A 47 -6.608 -0.845 9.037 1.00 0.00 C ATOM 719 CG GLU A 47 -5.662 -1.015 10.210 1.00 0.00 C ATOM 720 CD GLU A 47 -5.637 0.197 11.113 1.00 0.00 C ATOM 721 OE1 GLU A 47 -6.621 0.409 11.856 1.00 0.00 O ATOM 722 OE2 GLU A 47 -4.638 0.946 11.087 1.00 0.00 O ATOM 0 H GLU A 47 -4.800 -2.071 7.835 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.251 -2.886 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.202 -0.090 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.561 -0.464 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.959 -1.889 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.656 -1.207 9.837 1.00 0.00 H new ATOM 729 N PHE A 48 -7.400 -1.302 6.040 1.00 0.00 N ATOM 730 CA PHE A 48 -8.267 -0.977 4.919 1.00 0.00 C ATOM 731 C PHE A 48 -8.139 -2.036 3.836 1.00 0.00 C ATOM 732 O PHE A 48 -8.512 -1.810 2.684 1.00 0.00 O ATOM 733 CB PHE A 48 -7.932 0.405 4.361 1.00 0.00 C ATOM 734 CG PHE A 48 -7.831 1.458 5.425 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.968 1.953 6.049 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.594 1.938 5.815 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.864 2.906 7.045 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.488 2.892 6.803 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.621 3.377 7.420 1.00 0.00 C ATOM 0 H PHE A 48 -6.415 -1.084 5.890 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.299 -0.959 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.988 0.353 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.697 0.696 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.942 1.591 5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.701 1.561 5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.753 3.282 7.529 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.516 3.260 7.095 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.537 4.124 8.195 1.00 0.00 H new ATOM 749 N CYS A 49 -7.590 -3.181 4.216 1.00 0.00 N ATOM 750 CA CYS A 49 -7.552 -4.340 3.343 1.00 0.00 C ATOM 751 C CYS A 49 -8.801 -5.182 3.572 1.00 0.00 C ATOM 752 O CYS A 49 -9.196 -5.420 4.717 1.00 0.00 O ATOM 753 CB CYS A 49 -6.297 -5.171 3.610 1.00 0.00 C ATOM 754 SG CYS A 49 -6.197 -6.699 2.648 1.00 0.00 S ATOM 0 H CYS A 49 -7.163 -3.330 5.130 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.524 -4.007 2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.419 -4.562 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.259 -5.420 4.670 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.587 -6.465 1.524 1.00 0.00 H new ATOM 760 N HIS A 50 -9.433 -5.576 2.470 1.00 0.00 N ATOM 761 CA HIS A 50 -10.645 -6.396 2.492 1.00 0.00 C ATOM 762 C HIS A 50 -10.483 -7.576 3.461 1.00 0.00 C ATOM 763 O HIS A 50 -9.450 -8.228 3.458 1.00 0.00 O ATOM 764 CB HIS A 50 -10.924 -6.892 1.070 1.00 0.00 C ATOM 765 CG HIS A 50 -12.339 -7.298 0.811 1.00 0.00 C ATOM 766 ND1 HIS A 50 -12.817 -8.568 1.035 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.379 -6.590 0.320 1.00 0.00 C ATOM 768 CE1 HIS A 50 -14.090 -8.625 0.697 1.00 0.00 C ATOM 769 NE2 HIS A 50 -14.460 -7.436 0.259 1.00 0.00 N ATOM 0 H HIS A 50 -9.118 -5.335 1.530 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.487 -5.800 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.653 -6.105 0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.274 -7.742 0.863 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.364 -5.550 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.723 -9.497 0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.393 -7.187 -0.070 1.00 0.00 H new ATOM 778 N PRO A 51 -11.489 -7.855 4.311 1.00 0.00 N ATOM 779 CA PRO A 51 -11.371 -8.858 5.390 1.00 0.00 C ATOM 780 C PRO A 51 -10.796 -10.202 4.930 1.00 0.00 C ATOM 781 O PRO A 51 -9.815 -10.685 5.493 1.00 0.00 O ATOM 782 CB PRO A 51 -12.812 -9.027 5.868 1.00 0.00 C ATOM 783 CG PRO A 51 -13.458 -7.718 5.574 1.00 0.00 C ATOM 784 CD PRO A 51 -12.810 -7.200 4.318 1.00 0.00 C ATOM 0 HA PRO A 51 -10.675 -8.526 6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.311 -9.842 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.853 -9.260 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.533 -7.837 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.318 -7.021 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.390 -7.459 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.718 -6.114 4.333 1.00 0.00 H new ATOM 792 N GLU A 52 -11.391 -10.790 3.890 1.00 0.00 N ATOM 793 CA GLU A 52 -10.930 -12.075 3.346 1.00 0.00 C ATOM 794 C GLU A 52 -9.585 -11.935 2.635 1.00 0.00 C ATOM 795 O GLU A 52 -8.983 -12.921 2.220 1.00 0.00 O ATOM 796 CB GLU A 52 -11.943 -12.622 2.345 1.00 0.00 C ATOM 797 CG GLU A 52 -12.118 -11.707 1.153 1.00 0.00 C ATOM 798 CD GLU A 52 -12.800 -12.368 -0.025 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.970 -12.776 0.110 1.00 0.00 O ATOM 800 OE2 GLU A 52 -12.168 -12.466 -1.096 1.00 0.00 O ATOM 0 H GLU A 52 -12.197 -10.397 3.404 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.821 -12.757 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.619 -13.605 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.904 -12.758 2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.699 -10.836 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.140 -11.343 0.838 1.00 0.00 H new ATOM 807 N ASP A 53 -9.124 -10.706 2.515 1.00 0.00 N ATOM 808 CA ASP A 53 -8.046 -10.357 1.608 1.00 0.00 C ATOM 809 C ASP A 53 -6.799 -9.999 2.411 1.00 0.00 C ATOM 810 O ASP A 53 -5.707 -9.828 1.869 1.00 0.00 O ATOM 811 CB ASP A 53 -8.537 -9.169 0.771 1.00 0.00 C ATOM 812 CG ASP A 53 -7.715 -8.853 -0.451 1.00 0.00 C ATOM 813 OD1 ASP A 53 -7.558 -9.744 -1.307 1.00 0.00 O ATOM 814 OD2 ASP A 53 -7.322 -7.683 -0.601 1.00 0.00 O ATOM 0 H ASP A 53 -9.488 -9.916 3.047 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.781 -11.187 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.562 -9.367 0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.564 -8.285 1.408 1.00 0.00 H new ATOM 819 N GLN A 54 -6.977 -9.931 3.728 1.00 0.00 N ATOM 820 CA GLN A 54 -5.911 -9.539 4.639 1.00 0.00 C ATOM 821 C GLN A 54 -4.849 -10.623 4.732 1.00 0.00 C ATOM 822 O GLN A 54 -3.660 -10.330 4.837 1.00 0.00 O ATOM 823 CB GLN A 54 -6.480 -9.242 6.026 1.00 0.00 C ATOM 824 CG GLN A 54 -7.498 -8.115 6.035 1.00 0.00 C ATOM 825 CD GLN A 54 -8.003 -7.781 7.426 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.065 -8.638 8.307 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.367 -6.527 7.630 1.00 0.00 N ATOM 0 H GLN A 54 -7.861 -10.145 4.190 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.445 -8.635 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.946 -10.145 6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.661 -8.987 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.050 -7.225 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.343 -8.392 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.300 -5.847 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.715 -6.239 8.545 1.00 0.00 H new ATOM 836 N GLN A 55 -5.285 -11.875 4.698 1.00 0.00 N ATOM 837 CA GLN A 55 -4.368 -13.009 4.696 1.00 0.00 C ATOM 838 C GLN A 55 -3.520 -12.971 3.427 1.00 0.00 C ATOM 839 O GLN A 55 -2.329 -13.285 3.451 1.00 0.00 O ATOM 840 CB GLN A 55 -5.164 -14.314 4.769 1.00 0.00 C ATOM 841 CG GLN A 55 -4.490 -15.445 5.546 1.00 0.00 C ATOM 842 CD GLN A 55 -3.219 -15.964 4.900 1.00 0.00 C ATOM 843 OE1 GLN A 55 -3.261 -16.843 4.039 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.079 -15.460 5.344 1.00 0.00 N ATOM 0 H GLN A 55 -6.272 -12.133 4.671 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.710 -12.953 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.131 -14.106 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.360 -14.659 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.257 -15.093 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.195 -16.270 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.087 -14.732 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.192 -15.799 4.972 1.00 0.00 H new ATOM 853 N LEU A 56 -4.146 -12.559 2.328 1.00 0.00 N ATOM 854 CA LEU A 56 -3.469 -12.440 1.043 1.00 0.00 C ATOM 855 C LEU A 56 -2.320 -11.446 1.166 1.00 0.00 C ATOM 856 O LEU A 56 -1.173 -11.762 0.840 1.00 0.00 O ATOM 857 CB LEU A 56 -4.470 -11.976 -0.030 1.00 0.00 C ATOM 858 CG LEU A 56 -4.145 -12.358 -1.482 1.00 0.00 C ATOM 859 CD1 LEU A 56 -5.248 -11.878 -2.409 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.811 -11.782 -1.932 1.00 0.00 C ATOM 0 H LEU A 56 -5.132 -12.300 2.304 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.067 -13.409 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.450 -12.383 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.552 -10.891 0.027 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.075 -13.445 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.007 -12.154 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.192 -12.340 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.338 -10.794 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.618 -12.075 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.842 -10.695 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.016 -12.163 -1.292 1.00 0.00 H new ATOM 872 N LEU A 57 -2.633 -10.255 1.662 1.00 0.00 N ATOM 873 CA LEU A 57 -1.615 -9.247 1.910 1.00 0.00 C ATOM 874 C LEU A 57 -0.577 -9.762 2.889 1.00 0.00 C ATOM 875 O LEU A 57 0.616 -9.596 2.670 1.00 0.00 O ATOM 876 CB LEU A 57 -2.220 -7.949 2.448 1.00 0.00 C ATOM 877 CG LEU A 57 -2.700 -6.962 1.386 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.061 -5.634 2.028 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.630 -6.758 0.326 1.00 0.00 C ATOM 0 H LEU A 57 -3.582 -9.966 1.899 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.139 -9.034 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.062 -8.200 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.477 -7.453 3.072 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.588 -7.374 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.402 -4.939 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.856 -5.787 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.185 -5.221 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.989 -6.052 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.727 -6.365 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.406 -7.711 -0.153 1.00 0.00 H new ATOM 891 N ARG A 58 -1.044 -10.399 3.956 1.00 0.00 N ATOM 892 CA ARG A 58 -0.167 -10.901 5.003 1.00 0.00 C ATOM 893 C ARG A 58 0.930 -11.783 4.419 1.00 0.00 C ATOM 894 O ARG A 58 2.115 -11.504 4.593 1.00 0.00 O ATOM 895 CB ARG A 58 -0.979 -11.690 6.031 1.00 0.00 C ATOM 896 CG ARG A 58 -0.156 -12.205 7.196 1.00 0.00 C ATOM 897 CD ARG A 58 -1.025 -12.952 8.189 1.00 0.00 C ATOM 898 NE ARG A 58 -0.272 -13.376 9.365 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.701 -13.223 10.614 1.00 0.00 C ATOM 900 NH1 ARG A 58 -1.895 -12.690 10.850 1.00 0.00 N ATOM 901 NH2 ARG A 58 0.059 -13.616 11.628 1.00 0.00 N ATOM 0 H ARG A 58 -2.035 -10.581 4.118 1.00 0.00 H new ATOM 0 HA ARG A 58 0.304 -10.048 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.777 -11.055 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.455 -12.535 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.630 -12.864 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.337 -11.370 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.852 -12.313 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.461 -13.825 7.704 1.00 0.00 H new ATOM 0 HE ARG A 58 0.637 -13.816 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.485 -12.397 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.221 -12.574 11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.972 -14.035 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.269 -13.499 12.587 1.00 0.00 H new ATOM 915 N ASP A 59 0.526 -12.825 3.702 1.00 0.00 N ATOM 916 CA ASP A 59 1.475 -13.771 3.128 1.00 0.00 C ATOM 917 C ASP A 59 2.386 -13.086 2.130 1.00 0.00 C ATOM 918 O ASP A 59 3.596 -13.276 2.145 1.00 0.00 O ATOM 919 CB ASP A 59 0.748 -14.914 2.427 1.00 0.00 C ATOM 920 CG ASP A 59 1.709 -15.991 1.955 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.232 -16.740 2.805 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.949 -16.090 0.736 1.00 0.00 O ATOM 0 H ASP A 59 -0.452 -13.036 3.504 1.00 0.00 H new ATOM 0 HA ASP A 59 2.071 -14.169 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.018 -15.352 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.194 -14.523 1.574 1.00 0.00 H new ATOM 927 N SER A 60 1.793 -12.261 1.290 1.00 0.00 N ATOM 928 CA SER A 60 2.515 -11.601 0.219 1.00 0.00 C ATOM 929 C SER A 60 3.546 -10.616 0.773 1.00 0.00 C ATOM 930 O SER A 60 4.617 -10.428 0.193 1.00 0.00 O ATOM 931 CB SER A 60 1.518 -10.899 -0.694 1.00 0.00 C ATOM 932 OG SER A 60 0.595 -11.826 -1.238 1.00 0.00 O ATOM 0 H SER A 60 0.800 -12.029 1.330 1.00 0.00 H new ATOM 0 HA SER A 60 3.064 -12.347 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.983 -10.132 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.050 -10.393 -1.500 1.00 0.00 H new ATOM 0 HG SER A 60 -0.082 -12.047 -0.565 1.00 0.00 H new ATOM 938 N PHE A 61 3.222 -9.998 1.902 1.00 0.00 N ATOM 939 CA PHE A 61 4.161 -9.124 2.583 1.00 0.00 C ATOM 940 C PHE A 61 5.299 -9.943 3.168 1.00 0.00 C ATOM 941 O PHE A 61 6.457 -9.541 3.109 1.00 0.00 O ATOM 942 CB PHE A 61 3.467 -8.317 3.685 1.00 0.00 C ATOM 943 CG PHE A 61 2.864 -7.027 3.202 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.669 -6.036 2.664 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.498 -6.799 3.288 1.00 0.00 C ATOM 946 CE1 PHE A 61 3.127 -4.846 2.220 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.949 -5.608 2.847 1.00 0.00 C ATOM 948 CZ PHE A 61 1.766 -4.632 2.313 1.00 0.00 C ATOM 0 H PHE A 61 2.316 -10.087 2.363 1.00 0.00 H new ATOM 0 HA PHE A 61 4.563 -8.420 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.684 -8.929 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.189 -8.098 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.735 -6.196 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.855 -7.561 3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.767 -4.084 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.116 -5.442 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.341 -3.701 1.968 1.00 0.00 H new ATOM 958 N GLN A 62 4.960 -11.111 3.699 1.00 0.00 N ATOM 959 CA GLN A 62 5.957 -12.019 4.242 1.00 0.00 C ATOM 960 C GLN A 62 6.897 -12.462 3.131 1.00 0.00 C ATOM 961 O GLN A 62 8.108 -12.566 3.325 1.00 0.00 O ATOM 962 CB GLN A 62 5.286 -13.246 4.864 1.00 0.00 C ATOM 963 CG GLN A 62 4.340 -12.926 6.011 1.00 0.00 C ATOM 964 CD GLN A 62 5.038 -12.345 7.226 1.00 0.00 C ATOM 965 OE1 GLN A 62 4.459 -11.544 7.957 1.00 0.00 O ATOM 966 NE2 GLN A 62 6.275 -12.762 7.470 1.00 0.00 N ATOM 0 H GLN A 62 4.000 -11.450 3.764 1.00 0.00 H new ATOM 0 HA GLN A 62 6.520 -11.499 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.732 -13.775 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.059 -13.925 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.585 -12.220 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.815 -13.836 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.722 -13.428 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.778 -12.417 8.288 1.00 0.00 H new ATOM 975 N GLN A 63 6.317 -12.703 1.960 1.00 0.00 N ATOM 976 CA GLN A 63 7.067 -13.135 0.791 1.00 0.00 C ATOM 977 C GLN A 63 8.168 -12.140 0.433 1.00 0.00 C ATOM 978 O GLN A 63 9.319 -12.524 0.256 1.00 0.00 O ATOM 979 CB GLN A 63 6.141 -13.314 -0.403 1.00 0.00 C ATOM 980 CG GLN A 63 5.084 -14.381 -0.209 1.00 0.00 C ATOM 981 CD GLN A 63 5.655 -15.765 0.018 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.748 -16.087 -0.450 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.902 -16.598 0.718 1.00 0.00 N ATOM 0 H GLN A 63 5.315 -12.604 1.797 1.00 0.00 H new ATOM 0 HA GLN A 63 7.530 -14.090 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.649 -12.364 -0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.739 -13.565 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.459 -14.111 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.437 -14.403 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.003 -16.286 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.220 -17.552 0.890 1.00 0.00 H new ATOM 992 N VAL A 64 7.815 -10.858 0.341 1.00 0.00 N ATOM 993 CA VAL A 64 8.781 -9.832 -0.049 1.00 0.00 C ATOM 994 C VAL A 64 9.778 -9.563 1.082 1.00 0.00 C ATOM 995 O VAL A 64 10.894 -9.089 0.846 1.00 0.00 O ATOM 996 CB VAL A 64 8.091 -8.518 -0.492 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.389 -7.831 0.668 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.093 -7.578 -1.148 1.00 0.00 C ATOM 0 H VAL A 64 6.876 -10.508 0.529 1.00 0.00 H new ATOM 0 HA VAL A 64 9.326 -10.218 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 64 7.329 -8.780 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.918 -6.913 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.628 -8.495 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.117 -7.591 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.587 -6.661 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.885 -7.338 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.525 -8.061 -2.024 1.00 0.00 H new ATOM 1008 N VAL A 65 9.385 -9.883 2.307 1.00 0.00 N ATOM 1009 CA VAL A 65 10.301 -9.805 3.440 1.00 0.00 C ATOM 1010 C VAL A 65 11.336 -10.921 3.338 1.00 0.00 C ATOM 1011 O VAL A 65 12.492 -10.749 3.708 1.00 0.00 O ATOM 1012 CB VAL A 65 9.558 -9.889 4.796 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.538 -10.019 5.954 1.00 0.00 C ATOM 1014 CG2 VAL A 65 8.676 -8.666 5.000 1.00 0.00 C ATOM 0 H VAL A 65 8.444 -10.198 2.543 1.00 0.00 H new ATOM 0 HA VAL A 65 10.797 -8.835 3.403 1.00 0.00 H new ATOM 0 HB VAL A 65 8.931 -10.780 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.987 -10.076 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.133 -10.923 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.197 -9.151 5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.162 -8.744 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.292 -7.767 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.940 -8.610 4.198 1.00 0.00 H new ATOM 1024 N LYS A 66 10.906 -12.062 2.823 1.00 0.00 N ATOM 1025 CA LYS A 66 11.814 -13.164 2.546 1.00 0.00 C ATOM 1026 C LYS A 66 12.683 -12.831 1.338 1.00 0.00 C ATOM 1027 O LYS A 66 13.862 -13.179 1.290 1.00 0.00 O ATOM 1028 CB LYS A 66 11.028 -14.448 2.278 1.00 0.00 C ATOM 1029 CG LYS A 66 10.159 -14.897 3.443 1.00 0.00 C ATOM 1030 CD LYS A 66 9.276 -16.075 3.058 1.00 0.00 C ATOM 1031 CE LYS A 66 10.096 -17.327 2.789 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.731 -17.852 4.026 1.00 0.00 N ATOM 0 H LYS A 66 9.931 -12.249 2.588 1.00 0.00 H new ATOM 0 HA LYS A 66 12.451 -13.317 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.395 -14.298 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.729 -15.246 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.793 -15.176 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.536 -14.067 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.563 -16.272 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.697 -15.821 2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.454 -18.095 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.867 -17.104 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.122 -18.798 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.496 -17.213 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.020 -17.914 4.782 1.00 0.00 H new ATOM 1046 N LEU A 67 12.083 -12.148 0.367 1.00 0.00 N ATOM 1047 CA LEU A 67 12.788 -11.736 -0.838 1.00 0.00 C ATOM 1048 C LEU A 67 13.942 -10.800 -0.511 1.00 0.00 C ATOM 1049 O LEU A 67 15.095 -11.108 -0.807 1.00 0.00 O ATOM 1050 CB LEU A 67 11.830 -11.047 -1.815 1.00 0.00 C ATOM 1051 CG LEU A 67 10.803 -11.964 -2.473 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.968 -11.180 -3.465 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.488 -13.136 -3.162 1.00 0.00 C ATOM 0 H LEU A 67 11.103 -11.868 0.394 1.00 0.00 H new ATOM 0 HA LEU A 67 13.192 -12.635 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.300 -10.257 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.418 -10.566 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 67 10.148 -12.363 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.238 -11.843 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.449 -10.374 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.616 -10.759 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.736 -13.776 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.166 -12.761 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.052 -13.711 -2.427 1.00 0.00 H new ATOM 1065 N LYS A 68 13.611 -9.680 0.126 1.00 0.00 N ATOM 1066 CA LYS A 68 14.592 -8.647 0.461 1.00 0.00 C ATOM 1067 C LYS A 68 15.349 -8.164 -0.769 1.00 0.00 C ATOM 1068 O LYS A 68 16.362 -8.744 -1.167 1.00 0.00 O ATOM 1069 CB LYS A 68 15.567 -9.143 1.524 1.00 0.00 C ATOM 1070 CG LYS A 68 14.947 -9.203 2.903 1.00 0.00 C ATOM 1071 CD LYS A 68 15.873 -9.849 3.912 1.00 0.00 C ATOM 1072 CE LYS A 68 15.263 -9.804 5.298 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.102 -10.505 6.305 1.00 0.00 N ATOM 0 H LYS A 68 12.660 -9.462 0.424 1.00 0.00 H new ATOM 0 HA LYS A 68 14.039 -7.799 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.925 -10.135 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.436 -8.486 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.698 -8.194 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.013 -9.763 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.066 -10.883 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.834 -9.334 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.128 -8.765 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.273 -10.260 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.645 -10.448 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.210 -11.503 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.039 -10.055 6.350 1.00 0.00 H new ATOM 1087 N GLY A 69 14.845 -7.100 -1.364 1.00 0.00 N ATOM 1088 CA GLY A 69 15.506 -6.506 -2.506 1.00 0.00 C ATOM 1089 C GLY A 69 14.759 -6.727 -3.801 1.00 0.00 C ATOM 1090 O GLY A 69 15.047 -6.077 -4.805 1.00 0.00 O ATOM 0 H GLY A 69 13.985 -6.633 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.620 -5.435 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.509 -6.923 -2.596 1.00 0.00 H new ATOM 1094 N GLN A 70 13.798 -7.640 -3.791 1.00 0.00 N ATOM 1095 CA GLN A 70 13.045 -7.946 -4.990 1.00 0.00 C ATOM 1096 C GLN A 70 11.658 -7.332 -4.927 1.00 0.00 C ATOM 1097 O GLN A 70 10.999 -7.366 -3.886 1.00 0.00 O ATOM 1098 CB GLN A 70 12.938 -9.457 -5.179 1.00 0.00 C ATOM 1099 CG GLN A 70 14.275 -10.150 -5.371 1.00 0.00 C ATOM 1100 CD GLN A 70 15.060 -9.594 -6.543 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.868 -8.676 -6.389 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.819 -10.137 -7.722 1.00 0.00 N ATOM 0 H GLN A 70 13.525 -8.177 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 70 13.575 -7.519 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.438 -9.887 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.307 -9.661 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.867 -10.047 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.108 -11.216 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.142 -10.895 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.310 -9.798 -8.549 1.00 0.00 H new ATOM 1111 N VAL A 71 11.233 -6.762 -6.046 1.00 0.00 N ATOM 1112 CA VAL A 71 9.907 -6.176 -6.153 1.00 0.00 C ATOM 1113 C VAL A 71 8.865 -7.271 -6.338 1.00 0.00 C ATOM 1114 O VAL A 71 8.983 -8.111 -7.233 1.00 0.00 O ATOM 1115 CB VAL A 71 9.826 -5.179 -7.331 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.432 -4.581 -7.442 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.865 -4.081 -7.171 1.00 0.00 C ATOM 0 H VAL A 71 11.792 -6.694 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 71 9.707 -5.632 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 71 10.035 -5.724 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.401 -3.883 -8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.707 -5.378 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.188 -4.054 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.794 -3.388 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.686 -3.544 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.861 -4.523 -7.149 1.00 0.00 H new ATOM 1127 N LEU A 72 7.851 -7.267 -5.488 1.00 0.00 N ATOM 1128 CA LEU A 72 6.831 -8.304 -5.521 1.00 0.00 C ATOM 1129 C LEU A 72 5.466 -7.701 -5.835 1.00 0.00 C ATOM 1130 O LEU A 72 5.113 -6.655 -5.303 1.00 0.00 O ATOM 1131 CB LEU A 72 6.772 -9.034 -4.177 1.00 0.00 C ATOM 1132 CG LEU A 72 6.151 -10.424 -4.238 1.00 0.00 C ATOM 1133 CD1 LEU A 72 7.007 -11.342 -5.096 1.00 0.00 C ATOM 1134 CD2 LEU A 72 5.983 -10.994 -2.844 1.00 0.00 C ATOM 0 H LEU A 72 7.712 -6.559 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 72 7.093 -9.015 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.783 -9.119 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.203 -8.427 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 72 5.163 -10.346 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.554 -12.333 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.076 -10.937 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.006 -11.416 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.538 -11.987 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.957 -11.063 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.333 -10.342 -2.260 1.00 0.00 H new ATOM 1146 N SER A 73 4.699 -8.356 -6.690 1.00 0.00 N ATOM 1147 CA SER A 73 3.380 -7.866 -7.051 1.00 0.00 C ATOM 1148 C SER A 73 2.292 -8.600 -6.272 1.00 0.00 C ATOM 1149 O SER A 73 2.184 -9.823 -6.339 1.00 0.00 O ATOM 1150 CB SER A 73 3.164 -8.046 -8.555 1.00 0.00 C ATOM 1151 OG SER A 73 3.576 -9.337 -8.976 1.00 0.00 O ATOM 0 H SER A 73 4.967 -9.228 -7.147 1.00 0.00 H new ATOM 0 HA SER A 73 3.319 -6.808 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.111 -7.900 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.724 -7.286 -9.100 1.00 0.00 H new ATOM 0 HG SER A 73 3.417 -9.982 -8.256 1.00 0.00 H new ATOM 1157 N VAL A 74 1.498 -7.848 -5.526 1.00 0.00 N ATOM 1158 CA VAL A 74 0.351 -8.406 -4.823 1.00 0.00 C ATOM 1159 C VAL A 74 -0.897 -7.646 -5.190 1.00 0.00 C ATOM 1160 O VAL A 74 -0.926 -6.420 -5.202 1.00 0.00 O ATOM 1161 CB VAL A 74 0.549 -8.419 -3.285 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.993 -7.055 -2.777 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.724 -8.859 -2.577 1.00 0.00 C ATOM 0 H VAL A 74 1.627 -6.845 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 74 0.248 -9.445 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 74 1.336 -9.139 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.124 -7.094 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.938 -6.782 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.236 -6.311 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.559 -8.860 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.532 -8.169 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.993 -9.863 -2.904 1.00 0.00 H new ATOM 1173 N MET A 75 -1.917 -8.400 -5.520 1.00 0.00 N ATOM 1174 CA MET A 75 -3.143 -7.833 -6.004 1.00 0.00 C ATOM 1175 C MET A 75 -4.246 -8.040 -4.977 1.00 0.00 C ATOM 1176 O MET A 75 -4.559 -9.171 -4.613 1.00 0.00 O ATOM 1177 CB MET A 75 -3.500 -8.476 -7.339 1.00 0.00 C ATOM 1178 CG MET A 75 -4.602 -7.751 -8.053 1.00 0.00 C ATOM 1179 SD MET A 75 -5.078 -8.546 -9.601 1.00 0.00 S ATOM 1180 CE MET A 75 -6.445 -7.502 -10.108 1.00 0.00 C ATOM 0 H MET A 75 -1.917 -9.418 -5.460 1.00 0.00 H new ATOM 0 HA MET A 75 -3.025 -6.760 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.615 -8.500 -7.975 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.800 -9.510 -7.171 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.472 -7.689 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.284 -6.729 -8.258 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.286 -8.126 -10.411 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.746 -6.866 -9.275 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.135 -6.879 -10.947 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.833 -6.942 -4.530 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.748 -6.974 -3.400 1.00 0.00 C ATOM 1192 C PHE A 76 -6.764 -5.848 -3.514 1.00 0.00 C ATOM 1193 O PHE A 76 -6.719 -5.058 -4.460 1.00 0.00 O ATOM 1194 CB PHE A 76 -4.966 -6.867 -2.082 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.341 -5.521 -1.828 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.166 -5.156 -2.465 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -4.927 -4.620 -0.946 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.588 -3.925 -2.232 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.352 -3.388 -0.709 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.181 -3.042 -1.354 1.00 0.00 C ATOM 0 H PHE A 76 -4.692 -6.016 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.284 -7.923 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.638 -7.102 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.181 -7.623 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.697 -5.844 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.843 -4.887 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.673 -3.653 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.816 -2.697 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.729 -2.078 -1.171 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.676 -5.778 -2.559 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.739 -4.792 -2.593 1.00 0.00 C ATOM 1212 C ARG A 77 -8.557 -3.758 -1.490 1.00 0.00 C ATOM 1213 O ARG A 77 -8.647 -4.076 -0.301 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.094 -5.486 -2.458 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.484 -6.302 -3.680 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.283 -7.539 -3.301 1.00 0.00 C ATOM 1217 NE ARG A 77 -10.442 -8.563 -2.673 1.00 0.00 N ATOM 1218 CZ ARG A 77 -10.868 -9.779 -2.324 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -12.140 -10.123 -2.494 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -10.018 -10.653 -1.793 1.00 0.00 N ATOM 0 H ARG A 77 -7.700 -6.396 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.700 -4.271 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.073 -6.140 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.861 -4.734 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.072 -5.683 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.585 -6.601 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.084 -7.258 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.755 -7.953 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.466 -8.330 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.800 -9.456 -2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.457 -11.054 -2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.041 -10.394 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.343 -11.582 -1.526 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.317 -2.522 -1.905 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.059 -1.419 -0.992 1.00 0.00 C ATOM 1236 C PHE A 78 -9.346 -0.638 -0.755 1.00 0.00 C ATOM 1237 O PHE A 78 -10.106 -0.391 -1.694 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.004 -0.493 -1.604 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.225 0.340 -0.617 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.762 1.493 -0.064 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.934 -0.022 -0.270 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.023 2.264 0.815 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.194 0.742 0.611 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.736 1.889 1.151 1.00 0.00 C ATOM 0 H PHE A 78 -8.296 -2.256 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.696 -1.810 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.302 -1.099 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.497 0.176 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.767 1.792 -0.322 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.500 -0.915 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.452 3.160 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.191 0.441 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.157 2.492 1.834 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.598 -0.268 0.487 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.755 0.548 0.806 1.00 0.00 C ATOM 1256 C ARG A 79 -10.459 2.018 0.555 1.00 0.00 C ATOM 1257 O ARG A 79 -9.736 2.657 1.314 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.167 0.349 2.252 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.461 1.052 2.644 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.616 0.980 4.141 1.00 0.00 C ATOM 1261 NE ARG A 79 -13.819 1.622 4.672 1.00 0.00 N ATOM 1262 CZ ARG A 79 -13.782 2.516 5.664 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -12.632 3.099 5.985 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -14.892 2.867 6.301 1.00 0.00 N ATOM 0 H ARG A 79 -9.019 -0.518 1.289 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.575 0.237 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.277 -0.719 2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.365 0.706 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.441 2.091 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.312 0.579 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.620 -0.068 4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.743 1.440 4.604 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.723 1.377 4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.781 2.864 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.600 3.782 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.785 2.453 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.852 3.551 7.057 1.00 0.00 H new ATOM 1278 N SER A 80 -11.001 2.518 -0.536 1.00 0.00 N ATOM 1279 CA SER A 80 -10.914 3.923 -0.891 1.00 0.00 C ATOM 1280 C SER A 80 -11.647 4.805 0.133 1.00 0.00 C ATOM 1281 O SER A 80 -12.335 4.312 1.032 1.00 0.00 O ATOM 1282 CB SER A 80 -11.529 4.110 -2.279 1.00 0.00 C ATOM 1283 OG SER A 80 -11.412 5.448 -2.738 1.00 0.00 O ATOM 0 H SER A 80 -11.521 1.956 -1.210 1.00 0.00 H new ATOM 0 HA SER A 80 -9.867 4.226 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.039 3.440 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.581 3.828 -2.250 1.00 0.00 H new ATOM 0 HG SER A 80 -11.815 5.525 -3.628 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.525 6.117 -0.055 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.102 7.124 0.834 1.00 0.00 C ATOM 1291 C LYS A 81 -13.620 7.129 0.739 1.00 0.00 C ATOM 1292 O LYS A 81 -14.305 7.820 1.487 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.558 8.499 0.442 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.949 9.639 1.367 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.526 9.381 2.802 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.843 10.573 3.691 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.258 11.013 3.549 1.00 0.00 N ATOM 0 H LYS A 81 -11.014 6.517 -0.842 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.827 6.887 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.470 8.443 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.903 8.735 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.491 10.564 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.029 9.783 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.036 8.495 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.457 9.172 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.647 10.312 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.179 11.400 3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.485 11.698 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.391 11.459 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.888 10.189 3.631 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.139 6.345 -0.182 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.568 6.265 -0.398 1.00 0.00 C ATOM 1313 C ASN A 82 -16.114 5.042 0.317 1.00 0.00 C ATOM 1314 O ASN A 82 -17.275 4.676 0.150 1.00 0.00 O ATOM 1315 CB ASN A 82 -15.859 6.175 -1.894 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.087 7.209 -2.688 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.895 8.342 -2.248 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.612 6.812 -3.855 1.00 0.00 N ATOM 0 H ASN A 82 -13.587 5.749 -0.798 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.050 7.158 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.604 5.178 -2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.927 6.311 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.063 7.454 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.794 5.864 -4.184 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.239 4.415 1.108 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.568 3.209 1.861 1.00 0.00 C ATOM 1327 C GLN A 83 -15.859 2.057 0.915 1.00 0.00 C ATOM 1328 O GLN A 83 -16.639 1.156 1.226 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.750 3.433 2.815 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.412 4.268 4.043 1.00 0.00 C ATOM 1331 CD GLN A 83 -16.115 5.718 3.723 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -17.023 6.545 3.663 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.842 6.039 3.544 1.00 0.00 N ATOM 0 H GLN A 83 -14.279 4.734 1.242 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.701 2.957 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.556 3.922 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.128 2.464 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.245 4.222 4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.549 3.830 4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.121 5.319 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.583 7.006 3.347 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.225 2.093 -0.245 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.393 1.053 -1.223 1.00 0.00 C ATOM 1344 C GLU A 84 -14.105 0.267 -1.378 1.00 0.00 C ATOM 1345 O GLU A 84 -13.027 0.783 -1.104 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.811 1.660 -2.557 1.00 0.00 C ATOM 1347 CG GLU A 84 -14.772 2.599 -3.148 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.171 3.134 -4.506 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.136 2.362 -5.484 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.515 4.329 -4.603 1.00 0.00 O ATOM 0 H GLU A 84 -14.588 2.839 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.174 0.371 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.009 0.857 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.746 2.204 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.614 3.434 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.821 2.073 -3.235 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.214 -0.969 -1.822 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.066 -1.837 -1.928 1.00 0.00 C ATOM 1359 C TRP A 85 -12.756 -2.087 -3.395 1.00 0.00 C ATOM 1360 O TRP A 85 -13.503 -2.776 -4.079 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.357 -3.150 -1.198 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.861 -2.944 0.205 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.151 -2.702 0.584 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.089 -2.954 1.410 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.223 -2.549 1.947 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.974 -2.707 2.477 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.738 -3.147 1.694 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.551 -2.650 3.802 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.321 -3.091 3.011 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.223 -2.845 4.050 1.00 0.00 C ATOM 0 H TRP A 85 -15.093 -1.394 -2.116 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.196 -1.369 -1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.096 -3.718 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.448 -3.751 -1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.992 -2.640 -0.090 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.071 -2.350 2.477 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.030 -3.337 0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.248 -2.458 4.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.277 -3.240 3.242 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.863 -2.809 5.067 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.683 -1.487 -3.880 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.307 -1.594 -5.288 1.00 0.00 C ATOM 1383 C LEU A 86 -10.036 -2.414 -5.460 1.00 0.00 C ATOM 1384 O LEU A 86 -9.250 -2.552 -4.523 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.147 -0.189 -5.891 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.487 0.860 -4.985 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.986 0.642 -4.884 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.793 2.261 -5.491 1.00 0.00 C ATOM 0 H LEU A 86 -11.050 -0.916 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.101 -2.116 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.559 -0.272 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.133 0.176 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.904 0.749 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.551 1.402 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.789 -0.346 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.540 0.714 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.319 2.995 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.408 2.374 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.871 2.420 -5.492 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.829 -2.954 -6.658 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.667 -3.786 -6.914 1.00 0.00 C ATOM 1402 C TRP A 87 -7.456 -2.925 -7.188 1.00 0.00 C ATOM 1403 O TRP A 87 -7.524 -1.959 -7.948 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.893 -4.713 -8.110 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.850 -5.835 -7.849 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.159 -5.887 -8.215 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.569 -7.066 -7.174 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.720 -7.074 -7.803 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.762 -7.816 -7.161 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.428 -7.608 -6.575 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.844 -9.079 -6.576 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.510 -8.861 -5.994 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.711 -9.583 -5.999 1.00 0.00 C ATOM 0 H TRP A 87 -10.448 -2.829 -7.459 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.501 -4.393 -6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.264 -4.122 -8.947 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.935 -5.132 -8.416 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.682 -5.109 -8.751 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.689 -7.356 -7.951 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.499 -7.058 -6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.768 -9.638 -6.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.634 -9.289 -5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -9.743 -10.559 -5.537 1.00 0.00 H new ATOM 1424 N MET A 88 -6.355 -3.263 -6.557 1.00 0.00 N ATOM 1425 CA MET A 88 -5.086 -2.659 -6.891 1.00 0.00 C ATOM 1426 C MET A 88 -3.973 -3.688 -6.800 1.00 0.00 C ATOM 1427 O MET A 88 -4.005 -4.581 -5.952 1.00 0.00 O ATOM 1428 CB MET A 88 -4.783 -1.466 -5.986 1.00 0.00 C ATOM 1429 CG MET A 88 -4.639 -1.806 -4.515 1.00 0.00 C ATOM 1430 SD MET A 88 -3.875 -0.459 -3.594 1.00 0.00 S ATOM 1431 CE MET A 88 -4.863 0.921 -4.161 1.00 0.00 C ATOM 0 H MET A 88 -6.313 -3.954 -5.808 1.00 0.00 H new ATOM 0 HA MET A 88 -5.147 -2.294 -7.916 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.862 -0.993 -6.327 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.580 -0.731 -6.099 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.620 -2.025 -4.094 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.037 -2.708 -4.407 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.576 1.821 -3.617 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.698 1.073 -5.228 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.918 0.711 -3.984 1.00 0.00 H new ATOM 1441 N ARG A 89 -3.014 -3.585 -7.700 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.839 -4.427 -7.643 1.00 0.00 C ATOM 1443 C ARG A 89 -0.662 -3.592 -7.182 1.00 0.00 C ATOM 1444 O ARG A 89 -0.205 -2.680 -7.878 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.548 -5.094 -8.988 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.312 -5.981 -8.964 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.213 -6.834 -10.215 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.306 -7.802 -10.297 1.00 0.00 N ATOM 1449 CZ ARG A 89 -1.165 -9.048 -10.752 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.010 -9.464 -11.212 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -2.202 -9.877 -10.748 1.00 0.00 N ATOM 0 H ARG A 89 -3.027 -2.926 -8.479 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.018 -5.233 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.410 -5.692 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.419 -4.323 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.580 -5.361 -8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.342 -6.625 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.229 -6.192 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.741 -7.361 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.232 -7.507 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.809 -8.830 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.113 -10.418 -11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.106 -9.561 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.095 -10.830 -11.096 1.00 0.00 H new ATOM 1465 N THR A 90 -0.215 -3.889 -5.988 1.00 0.00 N ATOM 1466 CA THR A 90 0.850 -3.149 -5.357 1.00 0.00 C ATOM 1467 C THR A 90 2.183 -3.872 -5.493 1.00 0.00 C ATOM 1468 O THR A 90 2.266 -5.094 -5.336 1.00 0.00 O ATOM 1469 CB THR A 90 0.522 -2.916 -3.871 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.670 -2.131 -3.770 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.658 -2.211 -3.150 1.00 0.00 C ATOM 0 H THR A 90 -0.581 -4.655 -5.423 1.00 0.00 H new ATOM 0 HA THR A 90 0.937 -2.187 -5.861 1.00 0.00 H new ATOM 0 HB THR A 90 0.378 -3.887 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.028 -1.963 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.389 -2.064 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.561 -2.819 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.840 -1.243 -3.617 1.00 0.00 H new ATOM 1479 N SER A 91 3.213 -3.106 -5.803 1.00 0.00 N ATOM 1480 CA SER A 91 4.561 -3.624 -5.876 1.00 0.00 C ATOM 1481 C SER A 91 5.275 -3.351 -4.559 1.00 0.00 C ATOM 1482 O SER A 91 5.401 -2.196 -4.146 1.00 0.00 O ATOM 1483 CB SER A 91 5.309 -2.959 -7.033 1.00 0.00 C ATOM 1484 OG SER A 91 4.569 -3.053 -8.241 1.00 0.00 O ATOM 0 H SER A 91 3.136 -2.110 -6.010 1.00 0.00 H new ATOM 0 HA SER A 91 4.533 -4.699 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.493 -1.911 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.282 -3.433 -7.161 1.00 0.00 H new ATOM 0 HG SER A 91 5.068 -2.619 -8.965 1.00 0.00 H new ATOM 1490 N SER A 92 5.719 -4.405 -3.891 1.00 0.00 N ATOM 1491 CA SER A 92 6.403 -4.258 -2.620 1.00 0.00 C ATOM 1492 C SER A 92 7.900 -4.311 -2.823 1.00 0.00 C ATOM 1493 O SER A 92 8.395 -4.884 -3.795 1.00 0.00 O ATOM 1494 CB SER A 92 5.997 -5.347 -1.620 1.00 0.00 C ATOM 1495 OG SER A 92 6.437 -5.023 -0.315 1.00 0.00 O ATOM 0 H SER A 92 5.617 -5.369 -4.209 1.00 0.00 H new ATOM 0 HA SER A 92 6.113 -3.290 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.913 -5.464 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.422 -6.303 -1.925 1.00 0.00 H new ATOM 0 HG SER A 92 5.730 -5.233 0.330 1.00 0.00 H new ATOM 1501 N PHE A 93 8.598 -3.711 -1.890 1.00 0.00 N ATOM 1502 CA PHE A 93 10.039 -3.716 -1.862 1.00 0.00 C ATOM 1503 C PHE A 93 10.491 -3.533 -0.430 1.00 0.00 C ATOM 1504 O PHE A 93 9.958 -2.700 0.292 1.00 0.00 O ATOM 1505 CB PHE A 93 10.594 -2.593 -2.748 1.00 0.00 C ATOM 1506 CG PHE A 93 12.087 -2.415 -2.659 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.942 -3.216 -3.399 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.634 -1.448 -1.827 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.311 -3.053 -3.314 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.003 -1.283 -1.738 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.844 -2.087 -2.480 1.00 0.00 C ATOM 0 H PHE A 93 8.174 -3.198 -1.117 1.00 0.00 H new ATOM 0 HA PHE A 93 10.414 -4.663 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.325 -2.797 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.111 -1.656 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.534 -3.976 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.982 -0.817 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.966 -3.681 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.415 -0.525 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.914 -1.962 -2.410 1.00 0.00 H new ATOM 1521 N THR A 94 11.444 -4.320 -0.005 1.00 0.00 N ATOM 1522 CA THR A 94 11.976 -4.171 1.326 1.00 0.00 C ATOM 1523 C THR A 94 13.324 -3.467 1.267 1.00 0.00 C ATOM 1524 O THR A 94 14.322 -4.041 0.831 1.00 0.00 O ATOM 1525 CB THR A 94 12.088 -5.533 2.020 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.532 -6.525 1.084 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.747 -5.952 2.611 1.00 0.00 C ATOM 0 H THR A 94 11.867 -5.067 -0.556 1.00 0.00 H new ATOM 0 HA THR A 94 11.294 -3.558 1.916 1.00 0.00 H new ATOM 0 HB THR A 94 12.813 -5.445 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.914 -7.286 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.851 -6.921 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.424 -5.211 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.005 -6.024 1.816 1.00 0.00 H new ATOM 1535 N PHE A 95 13.333 -2.205 1.679 1.00 0.00 N ATOM 1536 CA PHE A 95 14.505 -1.360 1.516 1.00 0.00 C ATOM 1537 C PHE A 95 15.624 -1.799 2.445 1.00 0.00 C ATOM 1538 O PHE A 95 15.537 -1.634 3.663 1.00 0.00 O ATOM 1539 CB PHE A 95 14.152 0.108 1.774 1.00 0.00 C ATOM 1540 CG PHE A 95 15.099 1.075 1.116 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.341 1.343 1.666 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.741 1.715 -0.057 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.207 2.233 1.059 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.601 2.606 -0.670 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.837 2.866 -0.111 1.00 0.00 C ATOM 0 H PHE A 95 12.541 -1.746 2.128 1.00 0.00 H new ATOM 0 HA PHE A 95 14.851 -1.462 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.141 0.299 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.148 0.290 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.637 0.851 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.776 1.516 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.173 2.433 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.307 3.099 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.512 3.562 -0.587 1.00 0.00 H new ATOM 1555 N GLN A 96 16.665 -2.371 1.863 1.00 0.00 N ATOM 1556 CA GLN A 96 17.825 -2.794 2.621 1.00 0.00 C ATOM 1557 C GLN A 96 18.860 -1.684 2.663 1.00 0.00 C ATOM 1558 O GLN A 96 19.229 -1.130 1.625 1.00 0.00 O ATOM 1559 CB GLN A 96 18.453 -4.050 2.011 1.00 0.00 C ATOM 1560 CG GLN A 96 17.552 -5.274 2.051 1.00 0.00 C ATOM 1561 CD GLN A 96 18.271 -6.534 1.618 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.287 -6.889 0.441 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.879 -7.218 2.574 1.00 0.00 N ATOM 0 H GLN A 96 16.728 -2.553 0.861 1.00 0.00 H new ATOM 0 HA GLN A 96 17.495 -3.024 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.722 -3.843 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.378 -4.275 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.169 -5.407 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.691 -5.109 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.842 -6.889 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.385 -8.074 2.346 1.00 0.00 H new ATOM 1659 N ILE A 103 16.303 -3.691 7.103 1.00 0.00 N ATOM 1660 CA ILE A 103 15.169 -3.151 6.375 1.00 0.00 C ATOM 1661 C ILE A 103 14.759 -1.833 6.999 1.00 0.00 C ATOM 1662 O ILE A 103 14.295 -1.794 8.139 1.00 0.00 O ATOM 1663 CB ILE A 103 13.958 -4.107 6.394 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.353 -5.472 5.840 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.797 -3.526 5.601 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.852 -5.431 4.412 1.00 0.00 C ATOM 0 HA ILE A 103 15.476 -3.015 5.338 1.00 0.00 H new ATOM 0 HB ILE A 103 13.635 -4.230 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.129 -5.900 6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.493 -6.139 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.955 -4.218 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.498 -2.573 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.104 -3.370 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.113 -6.439 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.070 -5.034 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.732 -4.791 4.352 1.00 0.00 H new ATOM 1678 N GLU A 104 14.960 -0.755 6.258 1.00 0.00 N ATOM 1679 CA GLU A 104 14.546 0.555 6.707 1.00 0.00 C ATOM 1680 C GLU A 104 13.035 0.584 6.823 1.00 0.00 C ATOM 1681 O GLU A 104 12.472 1.035 7.819 1.00 0.00 O ATOM 1682 CB GLU A 104 14.995 1.628 5.722 1.00 0.00 C ATOM 1683 CG GLU A 104 16.456 1.532 5.338 1.00 0.00 C ATOM 1684 CD GLU A 104 16.984 2.812 4.723 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.231 3.473 3.977 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.149 3.170 4.993 1.00 0.00 O ATOM 0 H GLU A 104 15.409 -0.767 5.342 1.00 0.00 H new ATOM 0 HA GLU A 104 15.004 0.757 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.387 1.558 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.807 2.609 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.045 1.289 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.589 0.713 4.632 1.00 0.00 H new ATOM 1693 N TYR A 105 12.402 0.088 5.772 1.00 0.00 N ATOM 1694 CA TYR A 105 10.950 0.053 5.666 1.00 0.00 C ATOM 1695 C TYR A 105 10.537 -0.656 4.384 1.00 0.00 C ATOM 1696 O TYR A 105 11.384 -1.050 3.578 1.00 0.00 O ATOM 1697 CB TYR A 105 10.365 1.477 5.688 1.00 0.00 C ATOM 1698 CG TYR A 105 11.037 2.446 4.735 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.793 2.398 3.368 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.913 3.415 5.208 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.407 3.281 2.503 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.531 4.303 4.349 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.272 4.234 2.998 1.00 0.00 C ATOM 1704 OH TYR A 105 12.880 5.117 2.134 1.00 0.00 O ATOM 0 H TYR A 105 12.883 -0.304 4.963 1.00 0.00 H new ATOM 0 HA TYR A 105 10.558 -0.495 6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.304 1.424 5.445 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.440 1.872 6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.112 1.658 2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.115 3.475 6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.211 3.226 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.213 5.047 4.734 1.00 0.00 H new ATOM 0 HH TYR A 105 13.458 5.725 2.641 1.00 0.00 H new ATOM 1714 N ILE A 106 9.238 -0.818 4.204 1.00 0.00 N ATOM 1715 CA ILE A 106 8.707 -1.396 2.984 1.00 0.00 C ATOM 1716 C ILE A 106 8.276 -0.278 2.047 1.00 0.00 C ATOM 1717 O ILE A 106 7.734 0.737 2.493 1.00 0.00 O ATOM 1718 CB ILE A 106 7.495 -2.318 3.264 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.858 -3.382 4.304 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.015 -2.982 1.974 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.691 -4.265 4.692 1.00 0.00 C ATOM 0 H ILE A 106 8.530 -0.556 4.890 1.00 0.00 H new ATOM 0 HA ILE A 106 9.492 -1.999 2.529 1.00 0.00 H new ATOM 0 HB ILE A 106 6.685 -1.706 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.661 -4.005 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.245 -2.890 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.163 -3.626 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.717 -2.215 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.822 -3.579 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.018 -4.996 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.896 -3.652 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.318 -4.784 3.809 1.00 0.00 H new ATOM 1733 N ILE A 107 8.501 -0.467 0.760 1.00 0.00 N ATOM 1734 CA ILE A 107 8.088 0.501 -0.240 1.00 0.00 C ATOM 1735 C ILE A 107 7.016 -0.128 -1.109 1.00 0.00 C ATOM 1736 O ILE A 107 7.280 -1.076 -1.847 1.00 0.00 O ATOM 1737 CB ILE A 107 9.256 0.970 -1.135 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.319 1.680 -0.297 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.744 1.892 -2.238 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.459 2.248 -1.115 1.00 0.00 C ATOM 0 H ILE A 107 8.971 -1.289 0.380 1.00 0.00 H new ATOM 0 HA ILE A 107 7.711 1.379 0.284 1.00 0.00 H new ATOM 0 HB ILE A 107 9.710 0.094 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.848 2.488 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.722 0.978 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.579 2.214 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.019 1.357 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.267 2.764 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.174 2.737 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.956 1.442 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.069 2.975 -1.827 1.00 0.00 H new ATOM 1752 N CYS A 108 5.808 0.373 -0.995 1.00 0.00 N ATOM 1753 CA CYS A 108 4.692 -0.176 -1.731 1.00 0.00 C ATOM 1754 C CYS A 108 4.209 0.789 -2.797 1.00 0.00 C ATOM 1755 O CYS A 108 3.780 1.904 -2.504 1.00 0.00 O ATOM 1756 CB CYS A 108 3.561 -0.538 -0.775 1.00 0.00 C ATOM 1757 SG CYS A 108 3.928 -1.962 0.278 1.00 0.00 S ATOM 0 H CYS A 108 5.572 1.164 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 108 5.027 -1.082 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.341 0.323 -0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.661 -0.747 -1.353 1.00 0.00 H new ATOM 0 HG CYS A 108 4.177 -1.555 1.487 1.00 0.00 H new ATOM 1763 N THR A 109 4.319 0.366 -4.041 1.00 0.00 N ATOM 1764 CA THR A 109 3.772 1.119 -5.144 1.00 0.00 C ATOM 1765 C THR A 109 2.367 0.610 -5.441 1.00 0.00 C ATOM 1766 O THR A 109 2.192 -0.496 -5.946 1.00 0.00 O ATOM 1767 CB THR A 109 4.658 0.982 -6.393 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.034 1.157 -6.025 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.274 2.016 -7.441 1.00 0.00 C ATOM 0 H THR A 109 4.785 -0.500 -4.310 1.00 0.00 H new ATOM 0 HA THR A 109 3.735 2.174 -4.873 1.00 0.00 H new ATOM 0 HB THR A 109 4.513 -0.012 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.599 1.068 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.913 1.901 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.233 1.872 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.400 3.017 -7.028 1.00 0.00 H new ATOM 1777 N ASN A 110 1.376 1.423 -5.131 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.011 0.987 -5.196 1.00 0.00 C ATOM 1779 C ASN A 110 -0.608 1.380 -6.534 1.00 0.00 C ATOM 1780 O ASN A 110 -0.826 2.559 -6.790 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.820 1.615 -4.058 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.405 1.112 -2.686 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.546 1.615 -2.087 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -1.133 0.135 -2.165 1.00 0.00 N ATOM 0 H ASN A 110 1.502 2.390 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.046 -0.097 -5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.704 2.698 -4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.878 1.403 -4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.913 -0.226 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.914 -0.256 -2.692 1.00 0.00 H new ATOM 1791 N THR A 111 -0.872 0.395 -7.381 1.00 0.00 N ATOM 1792 CA THR A 111 -1.385 0.662 -8.715 1.00 0.00 C ATOM 1793 C THR A 111 -2.843 0.229 -8.833 1.00 0.00 C ATOM 1794 O THR A 111 -3.170 -0.942 -8.636 1.00 0.00 O ATOM 1795 CB THR A 111 -0.545 -0.074 -9.775 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.848 0.138 -9.510 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.879 0.421 -11.177 1.00 0.00 C ATOM 0 H THR A 111 -0.739 -0.594 -7.168 1.00 0.00 H new ATOM 0 HA THR A 111 -1.320 1.736 -8.887 1.00 0.00 H new ATOM 0 HB THR A 111 -0.776 -1.138 -9.723 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.384 -0.331 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.272 -0.115 -11.906 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.935 0.244 -11.383 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.670 1.489 -11.245 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.710 1.176 -9.166 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.143 0.916 -9.243 1.00 0.00 C ATOM 1807 C ASN A 112 -5.478 0.209 -10.541 1.00 0.00 C ATOM 1808 O ASN A 112 -5.379 0.786 -11.627 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.918 2.237 -9.137 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.340 2.083 -8.611 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.855 2.966 -7.929 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.995 0.981 -8.934 1.00 0.00 N ATOM 0 H ASN A 112 -3.445 2.136 -9.388 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.433 0.270 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.371 2.915 -8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.955 2.704 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.955 0.846 -8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.541 0.266 -9.502 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.856 -1.052 -10.426 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.291 -1.810 -11.571 1.00 0.00 C ATOM 1821 C VAL A 113 -7.780 -1.625 -11.784 1.00 0.00 C ATOM 1822 O VAL A 113 -8.422 -0.832 -11.096 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.981 -3.319 -11.440 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -4.562 -3.624 -11.894 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -6.166 -3.799 -10.021 1.00 0.00 C ATOM 0 H VAL A 113 -5.868 -1.568 -9.546 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.735 -1.430 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.685 -3.847 -12.083 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.369 -4.692 -11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.443 -3.332 -12.937 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.855 -3.067 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.940 -4.864 -9.965 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.495 -3.250 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.197 -3.630 -9.711 1.00 0.00 H new