USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ -143:sc= 0.097 (180deg=0) USER MOD Set 1.2: A 122 GLN :FLIP amide:sc= -1.05 F(o=-2.5!,f=-0.96) USER MOD Set 2.1: A 71 SER OG : rot -151:sc= 0.567 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.00583 USER MOD Set 2.3: A 75 ASN :FLIP amide:sc= 0.487 F(o=-0.08,f=1.1) USER MOD Set 3.1: A 56 THR OG1 : rot -170:sc= -0.0759 USER MOD Set 3.2: A 58 GLN : amide:sc= 0.62 K(o=0.54,f=-0.2) USER MOD Set 4.1: A 40 GLN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 172:sc= -2.7 USER MOD Single : A 12 SER OG : rot 130:sc= -3.51 USER MOD Single : A 13 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.4!) USER MOD Single : A 16 HIS : no HE2:sc= -7.87! C(o=-7.9!,f=-16!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00328 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.9!) USER MOD Single : A 45 SER OG : rot 113:sc= 1.18 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -89:sc= 0.56 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 62 MET CE :methyl -160:sc= -1.95 (180deg=-3.54!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.017) USER MOD Single : A 78 CYS SG : rot 60:sc= -3.62! USER MOD Single : A 87 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.5!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 90 ASN : amide:sc= -0.502 K(o=-0.5,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 71:sc= 0.47 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -3.28 F(o=-5.2!,f=-3.3) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.18) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.19 K(o=-0.19,f=-2.1!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 29:sc= -1.19 USER MOD Single : A 118 THR OG1 : rot -90:sc= 0.622 USER MOD Single : A 119 HIS :FLIP no HD1:sc= -1.63 F(o=-3.5!,f=-1.6) USER MOD Single : A 120 TYR OH : rot -93:sc= 0.162 USER MOD Single : A 123 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.146) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 10.165 -7.816 1.062 1.00 0.00 N ATOM 98 CA PRO A 6 9.801 -6.617 0.325 1.00 0.00 C ATOM 99 C PRO A 6 8.783 -6.936 -0.771 1.00 0.00 C ATOM 100 O PRO A 6 8.709 -8.069 -1.244 1.00 0.00 O ATOM 101 CB PRO A 6 11.113 -6.078 -0.221 1.00 0.00 C ATOM 102 CG PRO A 6 12.096 -7.236 -0.166 1.00 0.00 C ATOM 103 CD PRO A 6 11.491 -8.318 0.715 1.00 0.00 C ATOM 0 HA PRO A 6 9.309 -5.872 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.992 -5.717 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.467 -5.237 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.288 -7.622 -1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.053 -6.906 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.428 -9.269 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.096 -8.487 1.606 1.00 0.00 H new ATOM 111 N LYS A 7 8.024 -5.916 -1.144 1.00 0.00 N ATOM 112 CA LYS A 7 7.013 -6.073 -2.176 1.00 0.00 C ATOM 113 C LYS A 7 6.929 -4.788 -3.002 1.00 0.00 C ATOM 114 O LYS A 7 7.238 -3.706 -2.505 1.00 0.00 O ATOM 115 CB LYS A 7 5.678 -6.496 -1.559 1.00 0.00 C ATOM 116 CG LYS A 7 5.642 -8.005 -1.310 1.00 0.00 C ATOM 117 CD LYS A 7 4.211 -8.540 -1.392 1.00 0.00 C ATOM 118 CE LYS A 7 3.861 -9.362 -0.150 1.00 0.00 C ATOM 119 NZ LYS A 7 3.776 -10.801 -0.489 1.00 0.00 N ATOM 0 H LYS A 7 8.089 -4.977 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 7 7.289 -6.875 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.523 -5.965 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.861 -6.214 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.267 -8.513 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.061 -8.225 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.513 -7.708 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.100 -9.157 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.616 -9.208 0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.911 -9.023 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.538 -11.345 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.039 -10.945 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.692 -11.125 -0.861 1.00 0.00 H new ATOM 133 N LEU A 8 6.510 -4.950 -4.248 1.00 0.00 N ATOM 134 CA LEU A 8 6.382 -3.816 -5.148 1.00 0.00 C ATOM 135 C LEU A 8 4.906 -3.608 -5.492 1.00 0.00 C ATOM 136 O LEU A 8 4.126 -4.559 -5.498 1.00 0.00 O ATOM 137 CB LEU A 8 7.279 -4.000 -6.373 1.00 0.00 C ATOM 138 CG LEU A 8 8.694 -4.513 -6.098 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.372 -3.690 -5.000 1.00 0.00 C ATOM 140 CD2 LEU A 8 8.681 -6.007 -5.768 1.00 0.00 C ATOM 0 H LEU A 8 6.255 -5.849 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 8 6.728 -2.904 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.789 -4.694 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.355 -3.043 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 8 9.285 -4.388 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.376 -4.075 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.433 -2.647 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.790 -3.760 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.699 -6.346 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.069 -6.179 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.266 -6.562 -6.609 1.00 0.00 H new ATOM 152 N LEU A 9 4.566 -2.358 -5.770 1.00 0.00 N ATOM 153 CA LEU A 9 3.197 -2.013 -6.114 1.00 0.00 C ATOM 154 C LEU A 9 3.052 -1.979 -7.637 1.00 0.00 C ATOM 155 O LEU A 9 3.839 -1.330 -8.325 1.00 0.00 O ATOM 156 CB LEU A 9 2.785 -0.709 -5.428 1.00 0.00 C ATOM 157 CG LEU A 9 2.872 -0.698 -3.900 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.086 -1.865 -3.298 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.329 -0.688 -3.435 1.00 0.00 C ATOM 0 H LEU A 9 5.215 -1.571 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 9 2.508 -2.772 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.412 0.095 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.759 -0.479 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 9 2.412 0.221 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.164 -1.834 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.038 -1.787 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.495 -2.807 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.363 -0.680 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.836 -1.578 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.828 0.202 -3.820 1.00 0.00 H new ATOM 171 N TYR A 10 2.040 -2.685 -8.119 1.00 0.00 N ATOM 172 CA TYR A 10 1.782 -2.744 -9.547 1.00 0.00 C ATOM 173 C TYR A 10 0.642 -1.801 -9.938 1.00 0.00 C ATOM 174 O TYR A 10 -0.478 -1.939 -9.448 1.00 0.00 O ATOM 175 CB TYR A 10 1.358 -4.185 -9.840 1.00 0.00 C ATOM 176 CG TYR A 10 1.038 -4.452 -11.312 1.00 0.00 C ATOM 177 CD1 TYR A 10 1.958 -4.130 -12.289 1.00 0.00 C ATOM 178 CD2 TYR A 10 -0.173 -5.015 -11.664 1.00 0.00 C ATOM 179 CE1 TYR A 10 1.656 -4.381 -13.674 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.474 -5.267 -13.049 1.00 0.00 C ATOM 181 CZ TYR A 10 0.455 -4.937 -13.986 1.00 0.00 C ATOM 182 OH TYR A 10 0.170 -5.175 -15.294 1.00 0.00 O ATOM 0 H TYR A 10 1.389 -3.221 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 10 2.667 -2.446 -10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.154 -4.859 -9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.481 -4.424 -9.239 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.905 -3.689 -12.014 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.894 -5.266 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.367 -4.133 -14.448 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.417 -5.708 -13.338 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.721 -5.575 -15.367 1.00 0.00 H new ATOM 192 N CYS A 11 0.967 -0.863 -10.816 1.00 0.00 N ATOM 193 CA CYS A 11 -0.015 0.103 -11.277 1.00 0.00 C ATOM 194 C CYS A 11 -0.453 -0.294 -12.688 1.00 0.00 C ATOM 195 O CYS A 11 -0.087 0.361 -13.663 1.00 0.00 O ATOM 196 CB CYS A 11 0.530 1.531 -11.230 1.00 0.00 C ATOM 197 SG CYS A 11 -0.735 2.705 -11.838 1.00 0.00 S ATOM 0 H CYS A 11 1.897 -0.752 -11.220 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.879 0.092 -10.612 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.815 1.787 -10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.430 1.606 -11.840 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.333 3.923 -11.629 1.00 0.00 H new ATOM 203 N SER A 12 -1.230 -1.366 -12.753 1.00 0.00 N ATOM 204 CA SER A 12 -1.722 -1.858 -14.029 1.00 0.00 C ATOM 205 C SER A 12 -2.015 -0.684 -14.965 1.00 0.00 C ATOM 206 O SER A 12 -1.766 -0.766 -16.167 1.00 0.00 O ATOM 207 CB SER A 12 -2.976 -2.714 -13.843 1.00 0.00 C ATOM 208 OG SER A 12 -3.799 -2.716 -15.006 1.00 0.00 O ATOM 0 H SER A 12 -1.531 -1.907 -11.943 1.00 0.00 H new ATOM 0 HA SER A 12 -0.950 -2.485 -14.474 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.684 -3.737 -13.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.548 -2.339 -12.995 1.00 0.00 H new ATOM 0 HG SER A 12 -4.024 -3.639 -15.246 1.00 0.00 H new ATOM 214 N ASN A 13 -2.541 0.382 -14.378 1.00 0.00 N ATOM 215 CA ASN A 13 -2.871 1.571 -15.145 1.00 0.00 C ATOM 216 C ASN A 13 -1.793 1.805 -16.206 1.00 0.00 C ATOM 217 O ASN A 13 -2.094 1.872 -17.397 1.00 0.00 O ATOM 218 CB ASN A 13 -2.925 2.808 -14.246 1.00 0.00 C ATOM 219 CG ASN A 13 -3.822 3.889 -14.854 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.717 3.620 -15.639 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.534 5.122 -14.448 1.00 0.00 N ATOM 0 H ASN A 13 -2.746 0.447 -13.381 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.847 1.415 -15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.301 2.530 -13.261 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.919 3.203 -14.104 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.076 5.913 -14.796 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.771 5.277 -13.789 1.00 0.00 H new ATOM 228 N GLY A 14 -0.560 1.922 -15.735 1.00 0.00 N ATOM 229 CA GLY A 14 0.564 2.146 -16.628 1.00 0.00 C ATOM 230 C GLY A 14 1.554 0.981 -16.567 1.00 0.00 C ATOM 231 O GLY A 14 2.160 0.623 -17.576 1.00 0.00 O ATOM 0 H GLY A 14 -0.315 1.866 -14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.203 2.268 -17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.070 3.072 -16.356 1.00 0.00 H new ATOM 235 N GLY A 15 1.687 0.422 -15.373 1.00 0.00 N ATOM 236 CA GLY A 15 2.593 -0.695 -15.167 1.00 0.00 C ATOM 237 C GLY A 15 3.939 -0.215 -14.619 1.00 0.00 C ATOM 238 O GLY A 15 4.991 -0.573 -15.147 1.00 0.00 O ATOM 0 H GLY A 15 1.183 0.722 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.147 -1.407 -14.473 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.747 -1.222 -16.109 1.00 0.00 H new ATOM 242 N HIS A 16 3.862 0.586 -13.567 1.00 0.00 N ATOM 243 CA HIS A 16 5.061 1.119 -12.942 1.00 0.00 C ATOM 244 C HIS A 16 5.119 0.672 -11.480 1.00 0.00 C ATOM 245 O HIS A 16 4.083 0.471 -10.847 1.00 0.00 O ATOM 246 CB HIS A 16 5.127 2.639 -13.101 1.00 0.00 C ATOM 247 CG HIS A 16 4.899 3.120 -14.514 1.00 0.00 C ATOM 248 ND1 HIS A 16 3.645 3.167 -15.097 1.00 0.00 N ATOM 249 CD2 HIS A 16 5.778 3.574 -15.453 1.00 0.00 C ATOM 250 CE1 HIS A 16 3.775 3.630 -16.332 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.097 3.881 -16.551 1.00 0.00 N ATOM 0 H HIS A 16 2.988 0.879 -13.131 1.00 0.00 H new ATOM 0 HA HIS A 16 5.944 0.722 -13.442 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.382 3.095 -12.449 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.103 2.987 -12.763 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.769 2.892 -14.652 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.846 3.668 -15.325 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.974 3.782 -17.041 1.00 0.00 H new ATOM 259 N PHE A 17 6.340 0.529 -10.987 1.00 0.00 N ATOM 260 CA PHE A 17 6.547 0.110 -9.611 1.00 0.00 C ATOM 261 C PHE A 17 6.778 1.316 -8.699 1.00 0.00 C ATOM 262 O PHE A 17 7.470 2.261 -9.077 1.00 0.00 O ATOM 263 CB PHE A 17 7.796 -0.774 -9.595 1.00 0.00 C ATOM 264 CG PHE A 17 7.550 -2.207 -10.071 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.845 -2.434 -11.211 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.037 -3.254 -9.352 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.617 -3.765 -11.652 1.00 0.00 C ATOM 268 CE2 PHE A 17 7.809 -4.585 -9.793 1.00 0.00 C ATOM 269 CZ PHE A 17 7.104 -4.812 -10.934 1.00 0.00 C ATOM 0 H PHE A 17 7.196 0.696 -11.516 1.00 0.00 H new ATOM 0 HA PHE A 17 5.668 -0.422 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.559 -0.318 -10.226 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.196 -0.802 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.458 -1.602 -11.781 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.597 -3.073 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.057 -3.945 -12.558 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.195 -5.417 -9.222 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.931 -5.824 -11.270 1.00 0.00 H new ATOM 279 N LEU A 18 6.187 1.245 -7.516 1.00 0.00 N ATOM 280 CA LEU A 18 6.320 2.320 -6.547 1.00 0.00 C ATOM 281 C LEU A 18 7.676 2.205 -5.847 1.00 0.00 C ATOM 282 O LEU A 18 7.929 1.236 -5.133 1.00 0.00 O ATOM 283 CB LEU A 18 5.130 2.324 -5.585 1.00 0.00 C ATOM 284 CG LEU A 18 4.920 3.611 -4.784 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.264 4.692 -5.645 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.126 3.337 -3.505 1.00 0.00 C ATOM 0 H LEU A 18 5.615 0.460 -7.206 1.00 0.00 H new ATOM 0 HA LEU A 18 6.300 3.288 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.224 2.124 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.252 1.499 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 18 5.897 3.989 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.126 5.596 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.903 4.913 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.295 4.338 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.991 4.268 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.151 2.923 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.670 2.624 -2.885 1.00 0.00 H new ATOM 298 N ARG A 19 8.511 3.207 -6.078 1.00 0.00 N ATOM 299 CA ARG A 19 9.835 3.231 -5.479 1.00 0.00 C ATOM 300 C ARG A 19 10.048 4.539 -4.714 1.00 0.00 C ATOM 301 O ARG A 19 9.421 5.551 -5.022 1.00 0.00 O ATOM 302 CB ARG A 19 10.924 3.087 -6.543 1.00 0.00 C ATOM 303 CG ARG A 19 11.306 4.450 -7.125 1.00 0.00 C ATOM 304 CD ARG A 19 12.117 4.289 -8.412 1.00 0.00 C ATOM 305 NE ARG A 19 13.553 4.134 -8.089 1.00 0.00 N ATOM 306 CZ ARG A 19 14.542 4.263 -8.984 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.257 4.549 -10.262 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.817 4.105 -8.602 1.00 0.00 N ATOM 0 H ARG A 19 8.297 4.008 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 19 9.903 2.389 -4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.804 2.615 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.574 2.432 -7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.405 5.028 -7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.886 5.012 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.765 3.420 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.972 5.158 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 19 13.806 3.915 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.287 4.669 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.010 4.647 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.035 3.886 -7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.569 4.203 -9.284 1.00 0.00 H new ATOM 322 N ILE A 20 10.935 4.475 -3.732 1.00 0.00 N ATOM 323 CA ILE A 20 11.239 5.642 -2.921 1.00 0.00 C ATOM 324 C ILE A 20 12.743 5.916 -2.973 1.00 0.00 C ATOM 325 O ILE A 20 13.547 5.058 -2.610 1.00 0.00 O ATOM 326 CB ILE A 20 10.695 5.464 -1.502 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.183 5.227 -1.520 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.079 6.651 -0.615 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.635 5.078 -0.099 1.00 0.00 C ATOM 0 H ILE A 20 11.453 3.633 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 20 10.740 6.525 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 20 11.155 4.576 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.687 6.059 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.959 4.329 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.680 6.500 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.165 6.732 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.666 7.568 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.559 4.911 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.116 4.230 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.840 5.987 0.467 1.00 0.00 H new ATOM 341 N LEU A 21 13.079 7.114 -3.426 1.00 0.00 N ATOM 342 CA LEU A 21 14.472 7.512 -3.530 1.00 0.00 C ATOM 343 C LEU A 21 14.937 8.084 -2.189 1.00 0.00 C ATOM 344 O LEU A 21 14.120 8.529 -1.384 1.00 0.00 O ATOM 345 CB LEU A 21 14.670 8.469 -4.708 1.00 0.00 C ATOM 346 CG LEU A 21 14.055 8.031 -6.039 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.170 9.139 -7.087 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.674 6.718 -6.523 1.00 0.00 C ATOM 0 H LEU A 21 12.410 7.823 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 21 15.100 6.647 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.250 9.438 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.740 8.615 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 21 12.992 7.847 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.725 8.802 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.646 10.028 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.221 9.378 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.219 6.429 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.747 6.851 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.497 5.938 -5.783 1.00 0.00 H new ATOM 360 N PRO A 22 16.281 8.052 -1.985 1.00 0.00 N ATOM 361 CA PRO A 22 16.863 8.561 -0.755 1.00 0.00 C ATOM 362 C PRO A 22 16.863 10.091 -0.741 1.00 0.00 C ATOM 363 O PRO A 22 17.323 10.706 0.220 1.00 0.00 O ATOM 364 CB PRO A 22 18.262 7.967 -0.707 1.00 0.00 C ATOM 365 CG PRO A 22 18.577 7.528 -2.128 1.00 0.00 C ATOM 366 CD PRO A 22 17.278 7.532 -2.916 1.00 0.00 C ATOM 0 HA PRO A 22 16.293 8.277 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 22 18.986 8.702 -0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.305 7.123 -0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.302 8.202 -2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.022 6.533 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.356 8.159 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.018 6.529 -3.256 1.00 0.00 H new ATOM 374 N ASP A 23 16.341 10.661 -1.817 1.00 0.00 N ATOM 375 CA ASP A 23 16.274 12.107 -1.940 1.00 0.00 C ATOM 376 C ASP A 23 14.864 12.581 -1.583 1.00 0.00 C ATOM 377 O ASP A 23 14.580 13.777 -1.613 1.00 0.00 O ATOM 378 CB ASP A 23 16.574 12.552 -3.373 1.00 0.00 C ATOM 379 CG ASP A 23 17.641 13.641 -3.502 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.528 13.673 -2.622 1.00 0.00 O ATOM 381 OD2 ASP A 23 17.544 14.418 -4.477 1.00 0.00 O ATOM 0 H ASP A 23 15.960 10.147 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 23 17.015 12.537 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.892 11.683 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.651 12.913 -3.826 1.00 0.00 H new ATOM 386 N GLY A 24 14.016 11.617 -1.253 1.00 0.00 N ATOM 387 CA GLY A 24 12.642 11.920 -0.890 1.00 0.00 C ATOM 388 C GLY A 24 11.768 12.073 -2.136 1.00 0.00 C ATOM 389 O GLY A 24 10.947 12.987 -2.214 1.00 0.00 O ATOM 0 H GLY A 24 14.254 10.626 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.245 11.125 -0.258 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.611 12.839 -0.304 1.00 0.00 H new ATOM 393 N THR A 25 11.973 11.166 -3.079 1.00 0.00 N ATOM 394 CA THR A 25 11.213 11.189 -4.318 1.00 0.00 C ATOM 395 C THR A 25 10.563 9.827 -4.570 1.00 0.00 C ATOM 396 O THR A 25 11.120 8.792 -4.205 1.00 0.00 O ATOM 397 CB THR A 25 12.153 11.630 -5.441 1.00 0.00 C ATOM 398 OG1 THR A 25 12.227 13.046 -5.295 1.00 0.00 O ATOM 399 CG2 THR A 25 11.542 11.430 -6.829 1.00 0.00 C ATOM 0 H THR A 25 12.654 10.410 -3.011 1.00 0.00 H new ATOM 0 HA THR A 25 10.390 11.902 -4.264 1.00 0.00 H new ATOM 0 HB THR A 25 13.087 11.072 -5.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.819 13.415 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.250 11.759 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.314 10.374 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.625 12.014 -6.911 1.00 0.00 H new ATOM 407 N VAL A 26 9.394 9.871 -5.192 1.00 0.00 N ATOM 408 CA VAL A 26 8.663 8.653 -5.497 1.00 0.00 C ATOM 409 C VAL A 26 8.130 8.728 -6.929 1.00 0.00 C ATOM 410 O VAL A 26 7.402 9.657 -7.277 1.00 0.00 O ATOM 411 CB VAL A 26 7.559 8.432 -4.460 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.014 7.004 -4.536 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.059 8.754 -3.050 1.00 0.00 C ATOM 0 H VAL A 26 8.935 10.731 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 26 9.323 7.787 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 26 6.741 9.115 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.231 6.873 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.602 6.824 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.820 6.296 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.255 8.589 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.902 8.107 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.376 9.796 -3.006 1.00 0.00 H new ATOM 423 N ASP A 27 8.515 7.739 -7.722 1.00 0.00 N ATOM 424 CA ASP A 27 8.085 7.681 -9.109 1.00 0.00 C ATOM 425 C ASP A 27 7.911 6.219 -9.524 1.00 0.00 C ATOM 426 O ASP A 27 8.415 5.316 -8.857 1.00 0.00 O ATOM 427 CB ASP A 27 9.126 8.315 -10.034 1.00 0.00 C ATOM 428 CG ASP A 27 10.540 8.398 -9.456 1.00 0.00 C ATOM 429 OD1 ASP A 27 10.656 8.875 -8.307 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.473 7.984 -10.178 1.00 0.00 O ATOM 0 H ASP A 27 9.120 6.971 -7.431 1.00 0.00 H new ATOM 0 HA ASP A 27 7.146 8.227 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.162 7.743 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.796 9.321 -10.292 1.00 0.00 H new ATOM 435 N GLY A 28 7.196 6.030 -10.624 1.00 0.00 N ATOM 436 CA GLY A 28 6.950 4.693 -11.136 1.00 0.00 C ATOM 437 C GLY A 28 8.056 4.262 -12.100 1.00 0.00 C ATOM 438 O GLY A 28 8.532 5.064 -12.903 1.00 0.00 O ATOM 0 H GLY A 28 6.779 6.781 -11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.890 3.988 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.987 4.667 -11.647 1.00 0.00 H new ATOM 442 N THR A 29 8.434 2.997 -11.990 1.00 0.00 N ATOM 443 CA THR A 29 9.476 2.450 -12.843 1.00 0.00 C ATOM 444 C THR A 29 9.077 1.064 -13.351 1.00 0.00 C ATOM 445 O THR A 29 8.181 0.430 -12.796 1.00 0.00 O ATOM 446 CB THR A 29 10.785 2.453 -12.051 1.00 0.00 C ATOM 447 OG1 THR A 29 11.791 2.267 -13.042 1.00 0.00 O ATOM 448 CG2 THR A 29 10.924 1.228 -11.144 1.00 0.00 C ATOM 0 H THR A 29 8.037 2.335 -11.323 1.00 0.00 H new ATOM 0 HA THR A 29 9.617 3.060 -13.735 1.00 0.00 H new ATOM 0 HB THR A 29 10.842 3.359 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.673 2.258 -12.615 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.870 1.280 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.100 1.208 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.901 0.322 -11.750 1.00 0.00 H new ATOM 456 N ARG A 30 9.760 0.634 -14.401 1.00 0.00 N ATOM 457 CA ARG A 30 9.488 -0.666 -14.991 1.00 0.00 C ATOM 458 C ARG A 30 10.759 -1.517 -15.009 1.00 0.00 C ATOM 459 O ARG A 30 11.041 -2.196 -15.996 1.00 0.00 O ATOM 460 CB ARG A 30 8.957 -0.523 -16.418 1.00 0.00 C ATOM 461 CG ARG A 30 7.735 0.397 -16.459 1.00 0.00 C ATOM 462 CD ARG A 30 7.085 0.383 -17.844 1.00 0.00 C ATOM 463 NE ARG A 30 6.233 1.581 -18.015 1.00 0.00 N ATOM 464 CZ ARG A 30 5.497 1.831 -19.107 1.00 0.00 C ATOM 465 NH1 ARG A 30 5.505 0.967 -20.132 1.00 0.00 N ATOM 466 NH2 ARG A 30 4.754 2.944 -19.175 1.00 0.00 N ATOM 0 H ARG A 30 10.502 1.163 -14.859 1.00 0.00 H new ATOM 0 HA ARG A 30 8.728 -1.155 -14.381 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.740 -0.123 -17.063 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.691 -1.504 -16.811 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.010 0.078 -15.710 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.032 1.414 -16.203 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.854 0.361 -18.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.486 -0.520 -17.965 1.00 0.00 H new ATOM 0 HE ARG A 30 6.204 2.259 -17.254 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.071 0.120 -20.081 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.945 1.157 -20.963 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.748 3.602 -18.395 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.194 3.134 -20.006 1.00 0.00 H new ATOM 480 N ASP A 31 11.492 -1.454 -13.907 1.00 0.00 N ATOM 481 CA ASP A 31 12.726 -2.210 -13.785 1.00 0.00 C ATOM 482 C ASP A 31 12.750 -2.923 -12.431 1.00 0.00 C ATOM 483 O ASP A 31 13.518 -2.552 -11.544 1.00 0.00 O ATOM 484 CB ASP A 31 13.946 -1.289 -13.856 1.00 0.00 C ATOM 485 CG ASP A 31 15.223 -1.948 -14.383 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.552 -3.039 -13.869 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.841 -1.345 -15.287 1.00 0.00 O ATOM 0 H ASP A 31 11.254 -0.891 -13.090 1.00 0.00 H new ATOM 0 HA ASP A 31 12.766 -2.925 -14.607 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.704 -0.439 -14.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.143 -0.894 -12.859 1.00 0.00 H new ATOM 492 N ARG A 32 11.901 -3.933 -12.315 1.00 0.00 N ATOM 493 CA ARG A 32 11.815 -4.700 -11.084 1.00 0.00 C ATOM 494 C ARG A 32 13.207 -4.888 -10.477 1.00 0.00 C ATOM 495 O ARG A 32 13.352 -4.955 -9.258 1.00 0.00 O ATOM 496 CB ARG A 32 11.186 -6.072 -11.334 1.00 0.00 C ATOM 497 CG ARG A 32 9.713 -5.938 -11.723 1.00 0.00 C ATOM 498 CD ARG A 32 9.510 -6.226 -13.212 1.00 0.00 C ATOM 499 NE ARG A 32 9.905 -7.619 -13.516 1.00 0.00 N ATOM 500 CZ ARG A 32 9.571 -8.266 -14.641 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.834 -7.649 -15.575 1.00 0.00 N ATOM 502 NH2 ARG A 32 9.973 -9.530 -14.832 1.00 0.00 N ATOM 0 H ARG A 32 11.267 -4.238 -13.053 1.00 0.00 H new ATOM 0 HA ARG A 32 11.185 -4.144 -10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.730 -6.586 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.274 -6.685 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.113 -6.628 -11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.363 -4.932 -11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.466 -6.068 -13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.102 -5.533 -13.809 1.00 0.00 H new ATOM 0 HE ARG A 32 10.467 -8.118 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.527 -6.687 -15.429 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.580 -8.141 -16.431 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.533 -10.000 -14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.719 -10.022 -15.688 1.00 0.00 H new ATOM 516 N SER A 33 14.195 -4.966 -11.356 1.00 0.00 N ATOM 517 CA SER A 33 15.570 -5.144 -10.923 1.00 0.00 C ATOM 518 C SER A 33 15.890 -4.173 -9.784 1.00 0.00 C ATOM 519 O SER A 33 16.600 -4.526 -8.844 1.00 0.00 O ATOM 520 CB SER A 33 16.545 -4.940 -12.084 1.00 0.00 C ATOM 521 OG SER A 33 17.660 -5.825 -12.007 1.00 0.00 O ATOM 0 H SER A 33 14.070 -4.909 -12.367 1.00 0.00 H new ATOM 0 HA SER A 33 15.685 -6.167 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.023 -5.096 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.900 -3.909 -12.083 1.00 0.00 H new ATOM 0 HG SER A 33 18.258 -5.665 -12.767 1.00 0.00 H new ATOM 527 N ASP A 34 15.351 -2.969 -9.907 1.00 0.00 N ATOM 528 CA ASP A 34 15.570 -1.945 -8.901 1.00 0.00 C ATOM 529 C ASP A 34 15.425 -2.564 -7.509 1.00 0.00 C ATOM 530 O ASP A 34 14.588 -3.441 -7.300 1.00 0.00 O ATOM 531 CB ASP A 34 14.541 -0.820 -9.027 1.00 0.00 C ATOM 532 CG ASP A 34 14.861 0.443 -8.224 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.822 1.138 -8.619 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.138 0.684 -7.234 1.00 0.00 O ATOM 0 H ASP A 34 14.763 -2.680 -10.689 1.00 0.00 H new ATOM 0 HA ASP A 34 16.570 -1.537 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.448 -0.550 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.570 -1.199 -8.708 1.00 0.00 H new ATOM 539 N GLN A 35 16.254 -2.084 -6.594 1.00 0.00 N ATOM 540 CA GLN A 35 16.229 -2.580 -5.228 1.00 0.00 C ATOM 541 C GLN A 35 15.510 -1.584 -4.315 1.00 0.00 C ATOM 542 O GLN A 35 14.968 -1.966 -3.279 1.00 0.00 O ATOM 543 CB GLN A 35 17.644 -2.864 -4.722 1.00 0.00 C ATOM 544 CG GLN A 35 18.252 -4.070 -5.442 1.00 0.00 C ATOM 545 CD GLN A 35 19.728 -4.239 -5.077 1.00 0.00 C ATOM 546 OE1 GLN A 35 20.558 -3.381 -5.327 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.007 -5.391 -4.473 1.00 0.00 N ATOM 0 H GLN A 35 16.947 -1.357 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 35 15.678 -3.520 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.273 -1.988 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.619 -3.051 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.702 -4.973 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.152 -3.943 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 35 19.264 -6.066 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.964 -5.599 -4.189 1.00 0.00 H new ATOM 556 N HIS A 36 15.528 -0.327 -4.733 1.00 0.00 N ATOM 557 CA HIS A 36 14.885 0.726 -3.967 1.00 0.00 C ATOM 558 C HIS A 36 13.373 0.491 -3.939 1.00 0.00 C ATOM 559 O HIS A 36 12.705 0.838 -2.967 1.00 0.00 O ATOM 560 CB HIS A 36 15.260 2.104 -4.515 1.00 0.00 C ATOM 561 CG HIS A 36 16.662 2.543 -4.165 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.789 1.983 -4.743 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.108 3.493 -3.293 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.859 2.576 -4.233 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.434 3.511 -3.335 1.00 0.00 N ATOM 0 H HIS A 36 15.978 -0.014 -5.593 1.00 0.00 H new ATOM 0 HA HIS A 36 15.241 0.700 -2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.154 2.094 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.553 2.841 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.487 4.123 -2.674 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.886 2.358 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.037 4.124 -2.786 1.00 0.00 H new ATOM 573 N ILE A 37 12.879 -0.098 -5.018 1.00 0.00 N ATOM 574 CA ILE A 37 11.458 -0.383 -5.130 1.00 0.00 C ATOM 575 C ILE A 37 11.037 -1.309 -3.987 1.00 0.00 C ATOM 576 O ILE A 37 9.934 -1.185 -3.457 1.00 0.00 O ATOM 577 CB ILE A 37 11.130 -0.934 -6.519 1.00 0.00 C ATOM 578 CG1 ILE A 37 11.952 -2.189 -6.820 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.314 0.142 -7.592 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.490 -2.848 -8.121 1.00 0.00 C ATOM 0 H ILE A 37 13.437 -0.386 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 37 10.877 0.534 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 37 10.080 -1.227 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.007 -1.927 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.857 -2.896 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.075 -0.275 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.651 0.981 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.348 0.487 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.090 -3.738 -8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.441 -3.130 -8.033 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.609 -2.146 -8.947 1.00 0.00 H new ATOM 592 N GLN A 38 11.938 -2.217 -3.640 1.00 0.00 N ATOM 593 CA GLN A 38 11.674 -3.163 -2.570 1.00 0.00 C ATOM 594 C GLN A 38 11.098 -2.438 -1.351 1.00 0.00 C ATOM 595 O GLN A 38 11.844 -1.903 -0.533 1.00 0.00 O ATOM 596 CB GLN A 38 12.940 -3.938 -2.199 1.00 0.00 C ATOM 597 CG GLN A 38 13.359 -4.878 -3.331 1.00 0.00 C ATOM 598 CD GLN A 38 14.780 -5.400 -3.113 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.763 -4.745 -3.415 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.833 -6.614 -2.572 1.00 0.00 N ATOM 0 H GLN A 38 12.852 -2.317 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 38 10.936 -3.884 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.748 -3.239 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.765 -4.513 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.665 -5.716 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.303 -4.352 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.971 -7.108 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.736 -7.051 -2.386 1.00 0.00 H new ATOM 609 N LEU A 39 9.776 -2.445 -1.269 1.00 0.00 N ATOM 610 CA LEU A 39 9.091 -1.796 -0.165 1.00 0.00 C ATOM 611 C LEU A 39 8.546 -2.861 0.789 1.00 0.00 C ATOM 612 O LEU A 39 8.060 -3.902 0.351 1.00 0.00 O ATOM 613 CB LEU A 39 8.022 -0.834 -0.688 1.00 0.00 C ATOM 614 CG LEU A 39 8.529 0.506 -1.224 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.445 1.218 -2.034 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.067 1.382 -0.091 1.00 0.00 C ATOM 0 H LEU A 39 9.161 -2.890 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 39 9.787 -1.182 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.469 -1.335 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.314 -0.636 0.117 1.00 0.00 H new ATOM 0 HG LEU A 39 9.360 0.310 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.832 2.168 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.152 0.593 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.578 1.401 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.421 2.328 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.272 1.573 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.892 0.870 0.405 1.00 0.00 H new ATOM 628 N GLN A 40 8.647 -2.563 2.077 1.00 0.00 N ATOM 629 CA GLN A 40 8.170 -3.482 3.096 1.00 0.00 C ATOM 630 C GLN A 40 6.854 -2.979 3.692 1.00 0.00 C ATOM 631 O GLN A 40 6.821 -1.933 4.339 1.00 0.00 O ATOM 632 CB GLN A 40 9.224 -3.685 4.187 1.00 0.00 C ATOM 633 CG GLN A 40 9.671 -2.344 4.774 1.00 0.00 C ATOM 634 CD GLN A 40 9.536 -2.340 6.298 1.00 0.00 C ATOM 635 OE1 GLN A 40 10.462 -2.649 7.029 1.00 0.00 O ATOM 636 NE2 GLN A 40 8.334 -1.973 6.734 1.00 0.00 N ATOM 0 H GLN A 40 9.052 -1.699 2.437 1.00 0.00 H new ATOM 0 HA GLN A 40 7.987 -4.449 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.817 -4.315 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.085 -4.210 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.707 -2.149 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.070 -1.539 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.603 -1.727 6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.144 -1.938 7.735 1.00 0.00 H new ATOM 645 N LEU A 41 5.801 -3.746 3.452 1.00 0.00 N ATOM 646 CA LEU A 41 4.486 -3.391 3.956 1.00 0.00 C ATOM 647 C LEU A 41 4.274 -4.046 5.322 1.00 0.00 C ATOM 648 O LEU A 41 4.595 -5.219 5.509 1.00 0.00 O ATOM 649 CB LEU A 41 3.406 -3.743 2.931 1.00 0.00 C ATOM 650 CG LEU A 41 3.281 -2.796 1.736 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.620 -2.125 1.426 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.708 -3.523 0.518 1.00 0.00 C ATOM 0 H LEU A 41 5.832 -4.612 2.915 1.00 0.00 H new ATOM 0 HA LEU A 41 4.413 -2.314 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.604 -4.747 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.445 -3.778 3.443 1.00 0.00 H new ATOM 0 HG LEU A 41 2.578 -2.005 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.503 -1.457 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.949 -1.552 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.363 -2.887 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.629 -2.827 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.366 -4.347 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.719 -3.913 0.759 1.00 0.00 H new ATOM 664 N SER A 42 3.734 -3.261 6.243 1.00 0.00 N ATOM 665 CA SER A 42 3.475 -3.750 7.586 1.00 0.00 C ATOM 666 C SER A 42 2.065 -3.353 8.025 1.00 0.00 C ATOM 667 O SER A 42 1.466 -2.443 7.454 1.00 0.00 O ATOM 668 CB SER A 42 4.510 -3.213 8.576 1.00 0.00 C ATOM 669 OG SER A 42 5.840 -3.341 8.081 1.00 0.00 O ATOM 0 H SER A 42 3.469 -2.289 6.085 1.00 0.00 H new ATOM 0 HA SER A 42 3.552 -4.837 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.301 -2.164 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.421 -3.751 9.520 1.00 0.00 H new ATOM 0 HG SER A 42 6.471 -2.985 8.742 1.00 0.00 H new ATOM 675 N ALA A 43 1.575 -4.055 9.036 1.00 0.00 N ATOM 676 CA ALA A 43 0.245 -3.787 9.559 1.00 0.00 C ATOM 677 C ALA A 43 0.350 -3.405 11.036 1.00 0.00 C ATOM 678 O ALA A 43 0.986 -4.108 11.820 1.00 0.00 O ATOM 679 CB ALA A 43 -0.647 -5.009 9.335 1.00 0.00 C ATOM 0 H ALA A 43 2.075 -4.809 9.507 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.212 -2.949 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.644 -4.808 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.712 -5.221 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.221 -5.870 9.850 1.00 0.00 H new ATOM 685 N GLU A 44 -0.283 -2.291 11.373 1.00 0.00 N ATOM 686 CA GLU A 44 -0.269 -1.806 12.743 1.00 0.00 C ATOM 687 C GLU A 44 -1.667 -1.908 13.356 1.00 0.00 C ATOM 688 O GLU A 44 -1.837 -2.483 14.431 1.00 0.00 O ATOM 689 CB GLU A 44 0.256 -0.371 12.812 1.00 0.00 C ATOM 690 CG GLU A 44 1.491 -0.196 11.925 1.00 0.00 C ATOM 691 CD GLU A 44 2.283 -1.502 11.825 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.620 -2.045 12.899 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.533 -1.926 10.676 1.00 0.00 O ATOM 0 H GLU A 44 -0.809 -1.710 10.721 1.00 0.00 H new ATOM 0 HA GLU A 44 0.408 -2.433 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.524 0.321 12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.506 -0.120 13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.186 0.126 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.128 0.589 12.332 1.00 0.00 H new ATOM 700 N SER A 45 -2.632 -1.342 12.647 1.00 0.00 N ATOM 701 CA SER A 45 -4.010 -1.362 13.109 1.00 0.00 C ATOM 702 C SER A 45 -4.926 -1.881 11.999 1.00 0.00 C ATOM 703 O SER A 45 -4.521 -1.957 10.840 1.00 0.00 O ATOM 704 CB SER A 45 -4.460 0.029 13.561 1.00 0.00 C ATOM 705 OG SER A 45 -3.385 0.965 13.558 1.00 0.00 O ATOM 0 H SER A 45 -2.487 -0.867 11.756 1.00 0.00 H new ATOM 0 HA SER A 45 -4.073 -2.031 13.967 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.253 0.385 12.903 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.883 -0.035 14.564 1.00 0.00 H new ATOM 0 HG SER A 45 -3.544 1.644 12.869 1.00 0.00 H new ATOM 711 N VAL A 46 -6.144 -2.223 12.392 1.00 0.00 N ATOM 712 CA VAL A 46 -7.121 -2.732 11.445 1.00 0.00 C ATOM 713 C VAL A 46 -7.377 -1.678 10.366 1.00 0.00 C ATOM 714 O VAL A 46 -7.789 -0.560 10.671 1.00 0.00 O ATOM 715 CB VAL A 46 -8.394 -3.155 12.182 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.885 -2.042 13.110 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.487 -3.568 11.195 1.00 0.00 C ATOM 0 H VAL A 46 -6.477 -2.158 13.354 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.740 -3.623 10.945 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.153 -4.022 12.797 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.791 -2.368 13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.114 -1.815 13.846 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.101 -1.149 12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.381 -3.864 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.724 -2.728 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.136 -4.407 10.594 1.00 0.00 H new ATOM 727 N GLY A 47 -7.121 -2.072 9.127 1.00 0.00 N ATOM 728 CA GLY A 47 -7.319 -1.174 8.001 1.00 0.00 C ATOM 729 C GLY A 47 -6.185 -0.150 7.911 1.00 0.00 C ATOM 730 O GLY A 47 -6.361 0.928 7.345 1.00 0.00 O ATOM 0 H GLY A 47 -6.779 -3.000 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.369 -1.749 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.273 -0.657 8.106 1.00 0.00 H new ATOM 734 N GLU A 48 -5.047 -0.524 8.477 1.00 0.00 N ATOM 735 CA GLU A 48 -3.885 0.348 8.467 1.00 0.00 C ATOM 736 C GLU A 48 -2.635 -0.437 8.063 1.00 0.00 C ATOM 737 O GLU A 48 -2.392 -1.529 8.574 1.00 0.00 O ATOM 738 CB GLU A 48 -3.694 1.022 9.827 1.00 0.00 C ATOM 739 CG GLU A 48 -4.912 1.871 10.195 1.00 0.00 C ATOM 740 CD GLU A 48 -4.516 3.030 11.112 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.159 4.094 10.560 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.579 2.826 12.343 1.00 0.00 O ATOM 0 H GLU A 48 -4.905 -1.419 8.945 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.051 1.133 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.530 0.264 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.803 1.649 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.375 2.262 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.657 1.249 10.691 1.00 0.00 H new ATOM 749 N VAL A 49 -1.876 0.151 7.151 1.00 0.00 N ATOM 750 CA VAL A 49 -0.657 -0.480 6.673 1.00 0.00 C ATOM 751 C VAL A 49 0.425 0.585 6.487 1.00 0.00 C ATOM 752 O VAL A 49 0.122 1.733 6.165 1.00 0.00 O ATOM 753 CB VAL A 49 -0.944 -1.270 5.394 1.00 0.00 C ATOM 754 CG1 VAL A 49 -2.149 -2.194 5.579 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.150 -0.331 4.204 1.00 0.00 C ATOM 0 H VAL A 49 -2.081 1.057 6.730 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.285 -1.196 7.406 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.074 -1.892 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.331 -2.744 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.947 -2.898 6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.028 -1.600 5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.352 -0.918 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.994 0.329 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.251 0.266 4.051 1.00 0.00 H new ATOM 765 N TYR A 50 1.664 0.168 6.699 1.00 0.00 N ATOM 766 CA TYR A 50 2.793 1.072 6.559 1.00 0.00 C ATOM 767 C TYR A 50 3.718 0.623 5.426 1.00 0.00 C ATOM 768 O TYR A 50 4.084 -0.549 5.346 1.00 0.00 O ATOM 769 CB TYR A 50 3.556 1.002 7.883 1.00 0.00 C ATOM 770 CG TYR A 50 3.166 2.090 8.885 1.00 0.00 C ATOM 771 CD1 TYR A 50 2.944 3.381 8.450 1.00 0.00 C ATOM 772 CD2 TYR A 50 3.035 1.781 10.224 1.00 0.00 C ATOM 773 CE1 TYR A 50 2.576 4.405 9.393 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.667 2.805 11.167 1.00 0.00 C ATOM 775 CZ TYR A 50 2.456 4.066 10.705 1.00 0.00 C ATOM 776 OH TYR A 50 2.109 5.034 11.596 1.00 0.00 O ATOM 0 H TYR A 50 1.911 -0.785 6.967 1.00 0.00 H new ATOM 0 HA TYR A 50 2.451 2.080 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.385 0.026 8.337 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.624 1.076 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.046 3.623 7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.209 0.771 10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.399 5.419 9.066 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.561 2.577 12.217 1.00 0.00 H new ATOM 0 HH TYR A 50 2.060 4.648 12.495 1.00 0.00 H new ATOM 786 N ILE A 51 4.071 1.579 4.579 1.00 0.00 N ATOM 787 CA ILE A 51 4.946 1.297 3.454 1.00 0.00 C ATOM 788 C ILE A 51 6.235 2.109 3.600 1.00 0.00 C ATOM 789 O ILE A 51 6.212 3.336 3.519 1.00 0.00 O ATOM 790 CB ILE A 51 4.215 1.537 2.132 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.763 1.061 2.215 1.00 0.00 C ATOM 792 CG2 ILE A 51 4.964 0.891 0.965 1.00 0.00 C ATOM 793 CD1 ILE A 51 1.961 1.534 1.000 1.00 0.00 C ATOM 0 H ILE A 51 3.767 2.550 4.650 1.00 0.00 H new ATOM 0 HA ILE A 51 5.230 0.245 3.447 1.00 0.00 H new ATOM 0 HB ILE A 51 4.192 2.610 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.736 -0.027 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.304 1.440 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.422 1.077 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.964 1.319 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.040 -0.184 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.933 1.182 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.970 2.623 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.409 1.134 0.090 1.00 0.00 H new ATOM 805 N LYS A 52 7.328 1.391 3.814 1.00 0.00 N ATOM 806 CA LYS A 52 8.623 2.030 3.972 1.00 0.00 C ATOM 807 C LYS A 52 9.659 1.290 3.123 1.00 0.00 C ATOM 808 O LYS A 52 9.513 0.097 2.859 1.00 0.00 O ATOM 809 CB LYS A 52 8.997 2.125 5.453 1.00 0.00 C ATOM 810 CG LYS A 52 10.486 2.431 5.624 1.00 0.00 C ATOM 811 CD LYS A 52 10.909 2.292 7.088 1.00 0.00 C ATOM 812 CE LYS A 52 11.766 1.042 7.294 1.00 0.00 C ATOM 813 NZ LYS A 52 11.741 0.624 8.714 1.00 0.00 N ATOM 0 H LYS A 52 7.343 0.373 3.882 1.00 0.00 H new ATOM 0 HA LYS A 52 8.587 3.057 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.405 2.905 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.755 1.188 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.074 1.753 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.696 3.442 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.469 3.176 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.024 2.240 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.396 0.233 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.792 1.243 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.328 -0.226 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.115 1.391 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.763 0.413 8.996 1.00 0.00 H new ATOM 827 N SER A 53 10.682 2.028 2.719 1.00 0.00 N ATOM 828 CA SER A 53 11.742 1.456 1.905 1.00 0.00 C ATOM 829 C SER A 53 12.706 0.659 2.786 1.00 0.00 C ATOM 830 O SER A 53 13.070 1.103 3.873 1.00 0.00 O ATOM 831 CB SER A 53 12.498 2.545 1.142 1.00 0.00 C ATOM 832 OG SER A 53 12.410 2.368 -0.270 1.00 0.00 O ATOM 0 H SER A 53 10.800 3.017 2.940 1.00 0.00 H new ATOM 0 HA SER A 53 11.289 0.786 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.095 3.522 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.545 2.538 1.444 1.00 0.00 H new ATOM 0 HG SER A 53 12.904 3.084 -0.721 1.00 0.00 H new ATOM 838 N THR A 54 13.091 -0.505 2.283 1.00 0.00 N ATOM 839 CA THR A 54 14.006 -1.368 3.010 1.00 0.00 C ATOM 840 C THR A 54 15.456 -1.015 2.673 1.00 0.00 C ATOM 841 O THR A 54 16.383 -1.501 3.318 1.00 0.00 O ATOM 842 CB THR A 54 13.643 -2.819 2.687 1.00 0.00 C ATOM 843 OG1 THR A 54 13.893 -2.937 1.289 1.00 0.00 O ATOM 844 CG2 THR A 54 12.144 -3.092 2.822 1.00 0.00 C ATOM 0 H THR A 54 12.786 -0.870 1.381 1.00 0.00 H new ATOM 0 HA THR A 54 13.913 -1.225 4.087 1.00 0.00 H new ATOM 0 HB THR A 54 14.194 -3.486 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.085 -2.694 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.941 -4.136 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.827 -2.887 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.594 -2.448 2.136 1.00 0.00 H new ATOM 852 N GLU A 55 15.605 -0.171 1.662 1.00 0.00 N ATOM 853 CA GLU A 55 16.927 0.253 1.231 1.00 0.00 C ATOM 854 C GLU A 55 17.390 1.460 2.050 1.00 0.00 C ATOM 855 O GLU A 55 18.254 1.332 2.916 1.00 0.00 O ATOM 856 CB GLU A 55 16.940 0.569 -0.266 1.00 0.00 C ATOM 857 CG GLU A 55 18.311 1.086 -0.705 1.00 0.00 C ATOM 858 CD GLU A 55 19.044 0.044 -1.552 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.029 -1.136 -1.139 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.604 0.450 -2.593 1.00 0.00 O ATOM 0 H GLU A 55 14.833 0.230 1.129 1.00 0.00 H new ATOM 0 HA GLU A 55 17.624 -0.567 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.687 -0.327 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.177 1.314 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.191 2.006 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.909 1.333 0.172 1.00 0.00 H new ATOM 867 N THR A 56 16.795 2.604 1.747 1.00 0.00 N ATOM 868 CA THR A 56 17.136 3.832 2.445 1.00 0.00 C ATOM 869 C THR A 56 16.645 3.778 3.892 1.00 0.00 C ATOM 870 O THR A 56 17.448 3.756 4.824 1.00 0.00 O ATOM 871 CB THR A 56 16.556 5.004 1.650 1.00 0.00 C ATOM 872 OG1 THR A 56 15.152 4.761 1.649 1.00 0.00 O ATOM 873 CG2 THR A 56 16.943 4.957 0.171 1.00 0.00 C ATOM 0 H THR A 56 16.079 2.707 1.028 1.00 0.00 H new ATOM 0 HA THR A 56 18.216 3.964 2.507 1.00 0.00 H new ATOM 0 HB THR A 56 16.899 5.943 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.714 5.379 1.028 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.506 5.811 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 56 18.028 4.993 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.571 4.034 -0.273 1.00 0.00 H new ATOM 881 N GLY A 57 15.328 3.757 4.036 1.00 0.00 N ATOM 882 CA GLY A 57 14.720 3.705 5.355 1.00 0.00 C ATOM 883 C GLY A 57 13.773 4.887 5.569 1.00 0.00 C ATOM 884 O GLY A 57 13.827 5.552 6.603 1.00 0.00 O ATOM 0 H GLY A 57 14.665 3.775 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.172 2.770 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.498 3.715 6.119 1.00 0.00 H new ATOM 888 N GLN A 58 12.926 5.114 4.575 1.00 0.00 N ATOM 889 CA GLN A 58 11.969 6.204 4.642 1.00 0.00 C ATOM 890 C GLN A 58 10.549 5.678 4.426 1.00 0.00 C ATOM 891 O GLN A 58 10.314 4.861 3.537 1.00 0.00 O ATOM 892 CB GLN A 58 12.309 7.296 3.625 1.00 0.00 C ATOM 893 CG GLN A 58 13.814 7.569 3.597 1.00 0.00 C ATOM 894 CD GLN A 58 14.202 8.379 2.358 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.824 9.425 2.438 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.801 7.838 1.211 1.00 0.00 N ATOM 0 H GLN A 58 12.883 4.561 3.719 1.00 0.00 H new ATOM 0 HA GLN A 58 12.024 6.648 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.972 6.992 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.774 8.212 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.105 8.112 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.359 6.625 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.283 6.959 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.011 8.302 0.327 1.00 0.00 H new ATOM 905 N TYR A 59 9.638 6.167 5.254 1.00 0.00 N ATOM 906 CA TYR A 59 8.247 5.756 5.165 1.00 0.00 C ATOM 907 C TYR A 59 7.527 6.498 4.037 1.00 0.00 C ATOM 908 O TYR A 59 7.800 7.671 3.788 1.00 0.00 O ATOM 909 CB TYR A 59 7.608 6.139 6.501 1.00 0.00 C ATOM 910 CG TYR A 59 8.431 5.731 7.725 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.271 4.476 8.276 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.333 6.618 8.276 1.00 0.00 C ATOM 913 CE1 TYR A 59 9.045 4.092 9.428 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.108 6.234 9.428 1.00 0.00 C ATOM 915 CZ TYR A 59 9.925 4.990 9.947 1.00 0.00 C ATOM 916 OH TYR A 59 10.657 4.627 11.035 1.00 0.00 O ATOM 0 H TYR A 59 9.836 6.845 5.990 1.00 0.00 H new ATOM 0 HA TYR A 59 8.175 4.688 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.455 7.218 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.624 5.676 6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.566 3.782 7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.458 7.600 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.929 3.113 9.870 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.818 6.918 9.869 1.00 0.00 H new ATOM 0 HH TYR A 59 11.244 5.367 11.296 1.00 0.00 H new ATOM 926 N LEU A 60 6.621 5.784 3.386 1.00 0.00 N ATOM 927 CA LEU A 60 5.860 6.360 2.291 1.00 0.00 C ATOM 928 C LEU A 60 4.759 7.259 2.858 1.00 0.00 C ATOM 929 O LEU A 60 3.890 6.793 3.594 1.00 0.00 O ATOM 930 CB LEU A 60 5.339 5.260 1.363 1.00 0.00 C ATOM 931 CG LEU A 60 4.465 5.725 0.196 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.323 6.127 -1.005 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.429 4.661 -0.170 1.00 0.00 C ATOM 0 H LEU A 60 6.397 4.811 3.596 1.00 0.00 H new ATOM 0 HA LEU A 60 6.500 6.990 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.194 4.719 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.766 4.550 1.960 1.00 0.00 H new ATOM 0 HG LEU A 60 3.917 6.613 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.677 6.453 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.988 6.942 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.916 5.272 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.821 5.016 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.938 3.742 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.789 4.466 0.690 1.00 0.00 H new ATOM 945 N ALA A 61 4.831 8.531 2.493 1.00 0.00 N ATOM 946 CA ALA A 61 3.851 9.498 2.957 1.00 0.00 C ATOM 947 C ALA A 61 3.467 10.423 1.799 1.00 0.00 C ATOM 948 O ALA A 61 4.289 10.710 0.931 1.00 0.00 O ATOM 949 CB ALA A 61 4.418 10.266 4.152 1.00 0.00 C ATOM 0 H ALA A 61 5.552 8.914 1.882 1.00 0.00 H new ATOM 0 HA ALA A 61 2.944 8.995 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.683 10.992 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.648 9.568 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.327 10.787 3.852 1.00 0.00 H new ATOM 955 N MET A 62 2.218 10.862 1.825 1.00 0.00 N ATOM 956 CA MET A 62 1.714 11.748 0.789 1.00 0.00 C ATOM 957 C MET A 62 1.612 13.187 1.299 1.00 0.00 C ATOM 958 O MET A 62 0.844 13.470 2.217 1.00 0.00 O ATOM 959 CB MET A 62 0.335 11.268 0.333 1.00 0.00 C ATOM 960 CG MET A 62 -0.264 12.225 -0.700 1.00 0.00 C ATOM 961 SD MET A 62 -1.647 11.450 -1.520 1.00 0.00 S ATOM 962 CE MET A 62 -0.845 9.996 -2.175 1.00 0.00 C ATOM 0 H MET A 62 1.539 10.621 2.547 1.00 0.00 H new ATOM 0 HA MET A 62 2.410 11.729 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.417 10.269 -0.096 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.330 11.192 1.193 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.589 13.144 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.494 12.504 -1.432 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.441 9.588 -2.991 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.145 10.262 -2.546 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.748 9.248 -1.388 1.00 0.00 H new ATOM 972 N ASP A 63 2.398 14.057 0.682 1.00 0.00 N ATOM 973 CA ASP A 63 2.406 15.459 1.063 1.00 0.00 C ATOM 974 C ASP A 63 1.055 16.086 0.711 1.00 0.00 C ATOM 975 O ASP A 63 0.122 15.383 0.328 1.00 0.00 O ATOM 976 CB ASP A 63 3.494 16.228 0.311 1.00 0.00 C ATOM 977 CG ASP A 63 4.761 16.512 1.120 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.607 16.902 2.298 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.855 16.332 0.542 1.00 0.00 O ATOM 0 H ASP A 63 3.034 13.818 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 63 2.599 15.516 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.769 15.662 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.078 17.176 -0.030 1.00 0.00 H new ATOM 984 N THR A 64 0.995 17.402 0.853 1.00 0.00 N ATOM 985 CA THR A 64 -0.226 18.131 0.555 1.00 0.00 C ATOM 986 C THR A 64 -0.325 18.415 -0.945 1.00 0.00 C ATOM 987 O THR A 64 -1.393 18.764 -1.446 1.00 0.00 O ATOM 988 CB THR A 64 -0.243 19.396 1.415 1.00 0.00 C ATOM 989 OG1 THR A 64 0.863 20.157 0.936 1.00 0.00 O ATOM 990 CG2 THR A 64 0.105 19.115 2.878 1.00 0.00 C ATOM 0 H THR A 64 1.772 17.982 1.170 1.00 0.00 H new ATOM 0 HA THR A 64 -1.109 17.541 0.801 1.00 0.00 H new ATOM 0 HB THR A 64 -1.228 19.859 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.925 20.996 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.078 20.046 3.444 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.619 18.416 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.104 18.683 2.938 1.00 0.00 H new ATOM 998 N ASP A 65 0.803 18.254 -1.621 1.00 0.00 N ATOM 999 CA ASP A 65 0.858 18.489 -3.054 1.00 0.00 C ATOM 1000 C ASP A 65 0.249 17.291 -3.786 1.00 0.00 C ATOM 1001 O ASP A 65 0.046 17.337 -4.998 1.00 0.00 O ATOM 1002 CB ASP A 65 2.302 18.650 -3.532 1.00 0.00 C ATOM 1003 CG ASP A 65 2.890 20.051 -3.352 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.488 20.713 -2.371 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.728 20.427 -4.199 1.00 0.00 O ATOM 0 H ASP A 65 1.687 17.963 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 65 0.304 19.403 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.928 17.938 -2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.351 18.385 -4.588 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.026 16.246 -3.018 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.608 15.038 -3.579 1.00 0.00 C ATOM 1012 C GLY A 66 0.481 14.056 -4.013 1.00 0.00 C ATOM 1013 O GLY A 66 0.199 12.888 -4.276 1.00 0.00 O ATOM 0 H GLY A 66 0.143 16.211 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.256 14.565 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.233 15.294 -4.434 1.00 0.00 H new ATOM 1017 N LEU A 67 1.703 14.565 -4.075 1.00 0.00 N ATOM 1018 CA LEU A 67 2.836 13.747 -4.472 1.00 0.00 C ATOM 1019 C LEU A 67 3.278 12.886 -3.288 1.00 0.00 C ATOM 1020 O LEU A 67 3.019 13.229 -2.135 1.00 0.00 O ATOM 1021 CB LEU A 67 3.952 14.620 -5.049 1.00 0.00 C ATOM 1022 CG LEU A 67 3.628 15.346 -6.356 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.450 14.684 -7.074 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.384 16.837 -6.110 1.00 0.00 C ATOM 0 H LEU A 67 1.933 15.534 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 67 2.551 13.065 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.227 15.364 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.829 13.993 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 67 4.493 15.265 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.241 15.220 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.699 13.648 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.570 14.712 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.156 17.329 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.545 16.960 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.277 17.285 -5.674 1.00 0.00 H new ATOM 1036 N LEU A 68 3.939 11.784 -3.612 1.00 0.00 N ATOM 1037 CA LEU A 68 4.420 10.871 -2.589 1.00 0.00 C ATOM 1038 C LEU A 68 5.882 11.191 -2.274 1.00 0.00 C ATOM 1039 O LEU A 68 6.656 11.523 -3.170 1.00 0.00 O ATOM 1040 CB LEU A 68 4.185 9.420 -3.013 1.00 0.00 C ATOM 1041 CG LEU A 68 2.733 9.030 -3.295 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.645 8.056 -4.471 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.061 8.472 -2.038 1.00 0.00 C ATOM 0 H LEU A 68 4.153 11.503 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 68 3.858 11.003 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.773 9.225 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.570 8.767 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 68 2.187 9.930 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.602 7.795 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.060 8.524 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.210 7.153 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.030 8.203 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.601 7.588 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.073 9.228 -1.253 1.00 0.00 H new ATOM 1055 N TYR A 69 6.217 11.079 -0.996 1.00 0.00 N ATOM 1056 CA TYR A 69 7.573 11.352 -0.552 1.00 0.00 C ATOM 1057 C TYR A 69 7.914 10.539 0.699 1.00 0.00 C ATOM 1058 O TYR A 69 7.023 10.152 1.454 1.00 0.00 O ATOM 1059 CB TYR A 69 7.611 12.842 -0.203 1.00 0.00 C ATOM 1060 CG TYR A 69 7.026 13.174 1.171 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.679 12.767 2.316 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.844 13.882 1.265 1.00 0.00 C ATOM 1063 CE1 TYR A 69 7.129 13.080 3.610 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.294 14.195 2.558 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.963 13.778 3.667 1.00 0.00 C ATOM 1066 OH TYR A 69 5.443 14.074 4.888 1.00 0.00 O ATOM 0 H TYR A 69 5.573 10.803 -0.255 1.00 0.00 H new ATOM 0 HA TYR A 69 8.292 11.086 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.644 13.187 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.062 13.397 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.603 12.213 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.332 14.201 0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.631 12.768 4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.371 14.749 2.646 1.00 0.00 H new ATOM 0 HH TYR A 69 4.609 14.576 4.775 1.00 0.00 H new ATOM 1076 N GLY A 70 9.205 10.305 0.880 1.00 0.00 N ATOM 1077 CA GLY A 70 9.675 9.545 2.026 1.00 0.00 C ATOM 1078 C GLY A 70 9.923 10.461 3.226 1.00 0.00 C ATOM 1079 O GLY A 70 10.625 11.465 3.112 1.00 0.00 O ATOM 0 H GLY A 70 9.941 10.628 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.939 8.785 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.595 9.021 1.767 1.00 0.00 H new ATOM 1083 N SER A 71 9.333 10.082 4.351 1.00 0.00 N ATOM 1084 CA SER A 71 9.481 10.856 5.571 1.00 0.00 C ATOM 1085 C SER A 71 10.666 10.330 6.384 1.00 0.00 C ATOM 1086 O SER A 71 10.875 9.121 6.472 1.00 0.00 O ATOM 1087 CB SER A 71 8.202 10.814 6.409 1.00 0.00 C ATOM 1088 OG SER A 71 8.211 11.791 7.446 1.00 0.00 O ATOM 0 H SER A 71 8.752 9.249 4.442 1.00 0.00 H new ATOM 0 HA SER A 71 9.669 11.894 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.340 10.979 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.088 9.822 6.846 1.00 0.00 H new ATOM 0 HG SER A 71 7.670 11.474 8.199 1.00 0.00 H new ATOM 1094 N GLN A 72 11.410 11.264 6.958 1.00 0.00 N ATOM 1095 CA GLN A 72 12.568 10.910 7.761 1.00 0.00 C ATOM 1096 C GLN A 72 12.140 10.083 8.974 1.00 0.00 C ATOM 1097 O GLN A 72 12.838 9.152 9.374 1.00 0.00 O ATOM 1098 CB GLN A 72 13.339 12.159 8.193 1.00 0.00 C ATOM 1099 CG GLN A 72 14.734 11.793 8.703 1.00 0.00 C ATOM 1100 CD GLN A 72 15.790 12.752 8.148 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.651 13.963 8.193 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.850 12.144 7.623 1.00 0.00 N ATOM 0 H GLN A 72 11.233 12.266 6.883 1.00 0.00 H new ATOM 0 HA GLN A 72 13.237 10.304 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.424 12.847 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.787 12.679 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.746 11.824 9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.976 10.771 8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.903 11.125 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.610 12.696 7.226 1.00 0.00 H new ATOM 1111 N THR A 73 10.994 10.452 9.527 1.00 0.00 N ATOM 1112 CA THR A 73 10.464 9.756 10.688 1.00 0.00 C ATOM 1113 C THR A 73 9.055 9.234 10.399 1.00 0.00 C ATOM 1114 O THR A 73 8.389 9.710 9.481 1.00 0.00 O ATOM 1115 CB THR A 73 10.525 10.711 11.881 1.00 0.00 C ATOM 1116 OG1 THR A 73 10.228 11.987 11.320 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.943 10.869 12.434 1.00 0.00 C ATOM 0 H THR A 73 10.417 11.224 9.193 1.00 0.00 H new ATOM 0 HA THR A 73 11.060 8.876 10.928 1.00 0.00 H new ATOM 0 HB THR A 73 9.866 10.348 12.670 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.244 12.667 12.026 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.929 11.557 13.279 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.316 9.899 12.762 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.595 11.264 11.655 1.00 0.00 H new ATOM 1125 N PRO A 74 8.633 8.235 11.220 1.00 0.00 N ATOM 1126 CA PRO A 74 7.316 7.643 11.062 1.00 0.00 C ATOM 1127 C PRO A 74 6.226 8.581 11.585 1.00 0.00 C ATOM 1128 O PRO A 74 6.125 8.810 12.789 1.00 0.00 O ATOM 1129 CB PRO A 74 7.382 6.328 11.821 1.00 0.00 C ATOM 1130 CG PRO A 74 8.572 6.447 12.759 1.00 0.00 C ATOM 1131 CD PRO A 74 9.396 7.646 12.317 1.00 0.00 C ATOM 0 HA PRO A 74 7.055 7.472 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.462 6.152 12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.506 5.488 11.137 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.236 6.573 13.788 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.174 5.539 12.730 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.530 8.357 13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.391 7.344 11.990 1.00 0.00 H new ATOM 1139 N ASN A 75 5.438 9.098 10.654 1.00 0.00 N ATOM 1140 CA ASN A 75 4.360 10.006 11.006 1.00 0.00 C ATOM 1141 C ASN A 75 3.037 9.451 10.474 1.00 0.00 C ATOM 1142 O ASN A 75 3.026 8.657 9.535 1.00 0.00 O ATOM 1143 CB ASN A 75 4.577 11.387 10.384 1.00 0.00 C ATOM 1144 CG ASN A 75 5.894 12.002 10.862 1.00 0.00 C ATOM 1145 OD1 ASN A 75 6.846 12.030 9.934 1.00 0.00 O flip ATOM 1146 ND2 ASN A 75 6.036 12.424 11.997 1.00 0.00 N flip ATOM 0 H ASN A 75 5.525 8.905 9.656 1.00 0.00 H new ATOM 0 HA ASN A 75 4.339 10.099 12.092 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.584 11.303 9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.748 12.043 10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.263 12.372 12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.927 12.829 12.283 1.00 0.00 H new ATOM 1153 N GLU A 76 1.954 9.891 11.097 1.00 0.00 N ATOM 1154 CA GLU A 76 0.629 9.448 10.698 1.00 0.00 C ATOM 1155 C GLU A 76 0.445 9.618 9.189 1.00 0.00 C ATOM 1156 O GLU A 76 -0.368 8.926 8.578 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.456 10.201 11.471 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.222 9.257 12.400 1.00 0.00 C ATOM 1159 CD GLU A 76 -2.094 10.043 13.382 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -3.006 10.745 12.894 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.830 9.923 14.597 1.00 0.00 O ATOM 0 H GLU A 76 1.967 10.550 11.875 1.00 0.00 H new ATOM 0 HA GLU A 76 0.533 8.389 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.002 11.002 12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.148 10.669 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.847 8.587 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.518 8.633 12.951 1.00 0.00 H new ATOM 1168 N GLU A 77 1.214 10.541 8.631 1.00 0.00 N ATOM 1169 CA GLU A 77 1.146 10.810 7.205 1.00 0.00 C ATOM 1170 C GLU A 77 1.709 9.627 6.414 1.00 0.00 C ATOM 1171 O GLU A 77 1.562 9.565 5.195 1.00 0.00 O ATOM 1172 CB GLU A 77 1.883 12.104 6.855 1.00 0.00 C ATOM 1173 CG GLU A 77 1.168 13.320 7.449 1.00 0.00 C ATOM 1174 CD GLU A 77 1.915 14.613 7.114 1.00 0.00 C ATOM 1175 OE1 GLU A 77 2.043 14.896 5.903 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.340 15.289 8.075 1.00 0.00 O ATOM 0 H GLU A 77 1.888 11.112 9.141 1.00 0.00 H new ATOM 0 HA GLU A 77 0.100 10.941 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.905 12.058 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.947 12.209 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.150 13.373 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.092 13.209 8.531 1.00 0.00 H new ATOM 1183 N CYS A 78 2.343 8.719 7.141 1.00 0.00 N ATOM 1184 CA CYS A 78 2.929 7.542 6.523 1.00 0.00 C ATOM 1185 C CYS A 78 1.948 6.378 6.678 1.00 0.00 C ATOM 1186 O CYS A 78 2.082 5.355 6.009 1.00 0.00 O ATOM 1187 CB CYS A 78 4.301 7.215 7.117 1.00 0.00 C ATOM 1188 SG CYS A 78 5.363 8.705 7.098 1.00 0.00 S ATOM 0 H CYS A 78 2.464 8.775 8.152 1.00 0.00 H new ATOM 0 HA CYS A 78 3.100 7.732 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.187 6.853 8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.772 6.415 6.546 1.00 0.00 H new ATOM 0 HG CYS A 78 4.804 9.645 7.801 1.00 0.00 H new ATOM 1194 N LEU A 79 0.983 6.574 7.565 1.00 0.00 N ATOM 1195 CA LEU A 79 -0.021 5.554 7.817 1.00 0.00 C ATOM 1196 C LEU A 79 -1.146 5.687 6.788 1.00 0.00 C ATOM 1197 O LEU A 79 -1.762 6.745 6.670 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.502 5.622 9.267 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.234 4.384 9.790 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.659 3.107 9.175 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.215 4.342 11.320 1.00 0.00 C ATOM 0 H LEU A 79 0.875 7.424 8.118 1.00 0.00 H new ATOM 0 HA LEU A 79 0.407 4.559 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.361 5.807 9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.164 6.482 9.369 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.278 4.448 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.197 2.242 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.767 3.145 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.397 3.023 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.742 3.453 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.183 4.312 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.706 5.231 11.715 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.379 4.598 6.070 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.419 4.580 5.056 1.00 0.00 C ATOM 1215 C PHE A 80 -3.410 3.441 5.307 1.00 0.00 C ATOM 1216 O PHE A 80 -3.126 2.525 6.076 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.728 4.351 3.711 1.00 0.00 C ATOM 1218 CG PHE A 80 -1.027 5.591 3.152 1.00 0.00 C ATOM 1219 CD1 PHE A 80 -0.021 6.177 3.854 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.410 6.106 1.953 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.630 7.328 3.336 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.759 7.257 1.435 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.247 7.843 2.137 1.00 0.00 C ATOM 0 H PHE A 80 -0.866 3.722 6.170 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.973 5.519 5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.996 3.551 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.468 4.008 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.283 5.767 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.209 5.640 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.429 7.794 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.063 7.667 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.742 8.718 1.742 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.553 3.537 4.643 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.588 2.527 4.785 1.00 0.00 C ATOM 1235 C LEU A 81 -5.596 1.634 3.543 1.00 0.00 C ATOM 1236 O LEU A 81 -5.657 2.129 2.418 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.939 3.181 5.081 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.928 4.299 6.126 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -6.217 3.848 7.404 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.319 5.580 5.553 1.00 0.00 C ATOM 0 H LEU A 81 -4.785 4.299 4.005 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.378 1.884 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.337 3.585 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.630 2.407 5.414 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.960 4.526 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.223 4.661 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.734 2.984 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.187 3.577 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.324 6.358 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.294 5.386 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.905 5.910 4.695 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.533 0.333 3.787 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.533 -0.633 2.702 1.00 0.00 C ATOM 1254 C GLU A 82 -6.860 -1.393 2.668 1.00 0.00 C ATOM 1255 O GLU A 82 -7.440 -1.685 3.713 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.352 -1.598 2.828 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.559 -2.835 1.953 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.144 -3.991 2.767 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.112 -3.727 3.513 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.610 -5.112 2.626 1.00 0.00 O ATOM 0 H GLU A 82 -5.482 -0.074 4.721 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.421 -0.094 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.432 -1.092 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.234 -1.900 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.227 -2.593 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.608 -3.138 1.515 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.303 -1.692 1.456 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.551 -2.413 1.271 1.00 0.00 C ATOM 1269 C ARG A 83 -8.434 -3.386 0.097 1.00 0.00 C ATOM 1270 O ARG A 83 -7.500 -3.295 -0.698 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.711 -1.448 1.012 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.933 -1.821 1.854 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.226 -1.615 1.064 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.397 -1.845 1.940 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.804 -3.055 2.347 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -13.139 -4.152 1.959 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -14.877 -3.169 3.141 1.00 0.00 N ATOM 0 H ARG A 83 -6.820 -1.448 0.592 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.752 -2.968 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.401 -0.430 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.974 -1.466 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.858 -2.861 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.955 -1.214 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.257 -0.603 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.256 -2.299 0.216 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.927 -1.032 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.323 -4.066 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.449 -5.073 2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.384 -2.335 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.187 -4.090 3.451 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.395 -4.295 0.024 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.412 -5.284 -1.040 1.00 0.00 C ATOM 1293 C LEU A 84 -10.372 -4.827 -2.140 1.00 0.00 C ATOM 1294 O LEU A 84 -11.580 -4.751 -1.923 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.735 -6.670 -0.478 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.088 -7.854 -1.201 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -9.550 -7.926 -2.658 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -7.564 -7.800 -1.085 1.00 0.00 C ATOM 0 H LEU A 84 -10.168 -4.367 0.685 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.425 -5.372 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.429 -6.697 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.816 -6.805 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.416 -8.772 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.075 -8.776 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.633 -8.046 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.271 -7.007 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.129 -8.652 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.198 -6.875 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.278 -7.834 -0.034 1.00 0.00 H new ATOM 1310 N GLU A 85 -9.798 -4.535 -3.298 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.587 -4.088 -4.433 1.00 0.00 C ATOM 1312 C GLU A 85 -10.771 -5.229 -5.435 1.00 0.00 C ATOM 1313 O GLU A 85 -10.075 -6.241 -5.363 1.00 0.00 O ATOM 1314 CB GLU A 85 -9.946 -2.870 -5.101 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.271 -1.588 -4.332 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.378 -0.795 -5.030 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -11.032 -0.037 -5.962 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -12.546 -0.965 -4.616 1.00 0.00 O ATOM 0 H GLU A 85 -8.795 -4.599 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.570 -3.787 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.865 -3.005 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.304 -2.783 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.582 -1.837 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.375 -0.973 -4.249 1.00 0.00 H new ATOM 1325 N GLU A 86 -11.712 -5.029 -6.346 1.00 0.00 N ATOM 1326 CA GLU A 86 -11.995 -6.029 -7.361 1.00 0.00 C ATOM 1327 C GLU A 86 -10.804 -6.176 -8.310 1.00 0.00 C ATOM 1328 O GLU A 86 -9.800 -5.480 -8.163 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.270 -5.681 -8.133 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.515 -6.139 -7.370 1.00 0.00 C ATOM 1331 CD GLU A 86 -15.724 -6.236 -8.302 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -15.605 -6.960 -9.314 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.741 -5.583 -7.982 1.00 0.00 O ATOM 0 H GLU A 86 -12.288 -4.189 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.159 -6.985 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.316 -4.605 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.246 -6.154 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.327 -7.109 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.729 -5.439 -6.562 1.00 0.00 H new ATOM 1340 N ASN A 87 -10.954 -7.086 -9.261 1.00 0.00 N ATOM 1341 CA ASN A 87 -9.902 -7.333 -10.233 1.00 0.00 C ATOM 1342 C ASN A 87 -8.649 -7.828 -9.508 1.00 0.00 C ATOM 1343 O ASN A 87 -7.560 -7.838 -10.079 1.00 0.00 O ATOM 1344 CB ASN A 87 -9.538 -6.053 -10.987 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.377 -5.906 -12.258 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.025 -6.834 -12.715 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.330 -4.693 -12.801 1.00 0.00 N ATOM 0 H ASN A 87 -11.788 -7.661 -9.379 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.265 -8.078 -10.941 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.696 -5.189 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.479 -6.068 -11.246 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.857 -4.494 -13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.767 -3.961 -12.367 1.00 0.00 H new ATOM 1354 N HIS A 88 -8.846 -8.226 -8.260 1.00 0.00 N ATOM 1355 CA HIS A 88 -7.745 -8.721 -7.450 1.00 0.00 C ATOM 1356 C HIS A 88 -6.652 -7.654 -7.362 1.00 0.00 C ATOM 1357 O HIS A 88 -5.578 -7.811 -7.941 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.229 -10.055 -7.993 1.00 0.00 C ATOM 1359 CG HIS A 88 -6.475 -10.881 -6.978 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.248 -10.500 -6.463 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.787 -12.070 -6.387 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -4.849 -11.425 -5.604 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -5.804 -12.398 -5.558 1.00 0.00 N ATOM 0 H HIS A 88 -9.751 -8.216 -7.790 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.094 -8.918 -6.436 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.074 -10.636 -8.364 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.577 -9.861 -8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -7.683 -12.647 -6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.929 -11.412 -5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.768 -13.239 -4.982 1.00 0.00 H new ATOM 1371 N TYR A 89 -6.964 -6.592 -6.634 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.022 -5.499 -6.463 1.00 0.00 C ATOM 1373 C TYR A 89 -6.124 -4.903 -5.057 1.00 0.00 C ATOM 1374 O TYR A 89 -7.092 -5.153 -4.342 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.422 -4.434 -7.486 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.856 -4.674 -8.887 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.491 -4.742 -9.078 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.712 -4.822 -9.960 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.959 -4.968 -10.397 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.179 -5.048 -11.279 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.829 -5.109 -11.432 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.327 -5.323 -12.678 1.00 0.00 O ATOM 0 H TYR A 89 -7.856 -6.465 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.999 -5.848 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.510 -4.393 -7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.086 -3.460 -7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.822 -4.626 -8.238 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.780 -4.768 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.893 -5.024 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.837 -5.166 -12.127 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.064 -5.406 -13.318 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.110 -4.127 -4.704 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.073 -3.493 -3.397 1.00 0.00 C ATOM 1394 C ASN A 90 -4.965 -1.977 -3.573 1.00 0.00 C ATOM 1395 O ASN A 90 -4.447 -1.501 -4.582 1.00 0.00 O ATOM 1396 CB ASN A 90 -3.860 -3.963 -2.591 1.00 0.00 C ATOM 1397 CG ASN A 90 -3.880 -5.482 -2.407 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.062 -6.244 -3.342 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -3.683 -5.877 -1.152 1.00 0.00 N ATOM 0 H ASN A 90 -4.308 -3.923 -5.300 1.00 0.00 H new ATOM 0 HA ASN A 90 -5.986 -3.763 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.943 -3.667 -3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.855 -3.475 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.678 -6.871 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.537 -5.185 -0.417 1.00 0.00 H new ATOM 1406 N THR A 91 -5.461 -1.261 -2.575 1.00 0.00 N ATOM 1407 CA THR A 91 -5.427 0.192 -2.607 1.00 0.00 C ATOM 1408 C THR A 91 -4.849 0.740 -1.301 1.00 0.00 C ATOM 1409 O THR A 91 -4.772 0.025 -0.303 1.00 0.00 O ATOM 1410 CB THR A 91 -6.843 0.692 -2.902 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.666 -0.047 -2.004 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.334 0.273 -4.289 1.00 0.00 C ATOM 0 H THR A 91 -5.889 -1.659 -1.739 1.00 0.00 H new ATOM 0 HA THR A 91 -4.768 0.555 -3.396 1.00 0.00 H new ATOM 0 HB THR A 91 -6.869 1.779 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.602 0.216 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.343 0.653 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.668 0.682 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.341 -0.815 -4.359 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.456 2.005 -1.350 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.887 2.657 -0.183 1.00 0.00 C ATOM 1422 C TYR A 92 -4.257 4.142 -0.150 1.00 0.00 C ATOM 1423 O TYR A 92 -4.151 4.834 -1.162 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.370 2.525 -0.324 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.878 1.080 -0.422 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.158 0.185 0.591 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.153 0.670 -1.522 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.695 -1.175 0.499 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.689 -0.690 -1.614 1.00 0.00 C ATOM 1430 CZ TYR A 92 -0.984 -1.546 -0.599 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.546 -2.831 -0.685 1.00 0.00 O ATOM 0 H TYR A 92 -4.521 2.595 -2.179 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.263 2.201 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.049 3.068 -1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.893 3.003 0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.725 0.505 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.933 1.370 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.908 -1.885 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.120 -1.023 -2.469 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.053 -2.953 -1.523 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.682 4.587 1.023 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.068 5.977 1.201 1.00 0.00 C ATOM 1443 C ILE A 93 -4.443 6.514 2.490 1.00 0.00 C ATOM 1444 O ILE A 93 -4.442 5.833 3.514 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.590 6.121 1.149 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.113 5.911 -0.274 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.034 7.465 1.729 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.568 5.440 -0.260 1.00 0.00 C ATOM 0 H ILE A 93 -4.768 4.010 1.860 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.685 6.587 0.383 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.028 5.341 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.034 6.842 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.494 5.176 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.120 7.541 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.712 7.537 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.587 8.275 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.915 5.299 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.640 4.496 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.188 6.189 0.233 1.00 0.00 H new ATOM 1460 N SER A 94 -3.927 7.731 2.397 1.00 0.00 N ATOM 1461 CA SER A 94 -3.300 8.367 3.543 1.00 0.00 C ATOM 1462 C SER A 94 -4.337 8.603 4.642 1.00 0.00 C ATOM 1463 O SER A 94 -5.463 9.012 4.361 1.00 0.00 O ATOM 1464 CB SER A 94 -2.638 9.688 3.145 1.00 0.00 C ATOM 1465 OG SER A 94 -1.509 9.986 3.962 1.00 0.00 O ATOM 0 H SER A 94 -3.930 8.293 1.546 1.00 0.00 H new ATOM 0 HA SER A 94 -2.524 7.702 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.327 9.638 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.365 10.496 3.223 1.00 0.00 H new ATOM 0 HG SER A 94 -0.780 9.366 3.751 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.921 8.336 5.871 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.800 8.514 7.015 1.00 0.00 C ATOM 1473 C LYS A 95 -5.140 9.998 7.164 1.00 0.00 C ATOM 1474 O LYS A 95 -6.276 10.405 6.925 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.180 7.895 8.269 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.260 7.331 9.194 1.00 0.00 C ATOM 1477 CD LYS A 95 -5.025 7.767 10.642 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.251 7.473 11.508 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.843 6.863 12.793 1.00 0.00 N ATOM 0 H LYS A 95 -2.986 7.998 6.100 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.740 7.985 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.490 7.101 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.598 8.648 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.241 7.671 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.263 6.243 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.157 7.247 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.801 8.833 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.801 8.395 11.695 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.926 6.801 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.687 6.670 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.338 5.973 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.217 7.517 13.305 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.136 10.765 7.560 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.314 12.196 7.744 1.00 0.00 C ATOM 1495 C LYS A 96 -5.064 12.771 6.541 1.00 0.00 C ATOM 1496 O LYS A 96 -5.782 13.762 6.668 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.969 12.873 8.012 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.960 13.550 9.385 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.530 13.857 9.835 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.526 14.686 11.121 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.447 14.233 12.026 1.00 0.00 N ATOM 0 H LYS A 96 -3.196 10.423 7.759 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.925 12.394 8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.169 12.134 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.769 13.612 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.538 14.473 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.444 12.903 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.988 12.925 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.005 14.398 9.048 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.388 15.740 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.490 14.596 11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.458 14.806 12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.595 13.233 12.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.472 14.341 11.552 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.871 12.125 5.400 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.520 12.561 4.175 1.00 0.00 C ATOM 1517 C HIS A 97 -6.364 11.418 3.607 1.00 0.00 C ATOM 1518 O HIS A 97 -6.197 11.034 2.451 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.492 13.092 3.175 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.352 13.852 3.811 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.566 13.547 4.883 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.914 15.078 3.342 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.695 14.533 5.059 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.909 15.483 4.104 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.275 11.304 5.298 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.193 13.391 4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.085 12.254 2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.997 13.744 2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.322 15.614 2.498 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.941 14.576 5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.387 16.353 3.996 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.251 10.906 4.447 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.121 9.814 4.044 1.00 0.00 C ATOM 1534 C ALA A 98 -9.429 10.387 3.492 1.00 0.00 C ATOM 1535 O ALA A 98 -10.002 9.840 2.552 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.351 8.878 5.232 1.00 0.00 C ATOM 0 H ALA A 98 -7.386 11.227 5.406 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.657 9.227 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.004 8.059 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.396 8.475 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.818 9.432 6.046 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.861 11.482 4.100 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.090 12.135 3.682 1.00 0.00 C ATOM 1544 C GLU A 99 -10.876 12.870 2.357 1.00 0.00 C ATOM 1545 O GLU A 99 -11.835 13.177 1.651 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.598 13.091 4.763 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.594 12.390 5.690 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.467 13.409 6.426 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.980 13.941 7.446 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.602 13.631 5.952 1.00 0.00 O ATOM 0 H GLU A 99 -9.382 11.934 4.879 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.852 11.370 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.757 13.468 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.074 13.953 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.225 11.717 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.055 11.778 6.413 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.611 13.130 2.059 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.259 13.823 0.831 1.00 0.00 C ATOM 1559 C LYS A 100 -9.339 12.845 -0.342 1.00 0.00 C ATOM 1560 O LYS A 100 -9.152 13.235 -1.494 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.896 14.504 0.973 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.857 15.401 2.212 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.343 16.799 1.861 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.502 17.740 1.525 1.00 0.00 C ATOM 1565 NZ LYS A 100 -8.018 18.897 0.738 1.00 0.00 N ATOM 0 H LYS A 100 -8.818 12.873 2.647 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.970 14.624 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.113 13.748 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.688 15.098 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.855 15.474 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.214 14.953 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.774 17.202 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.662 16.738 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.264 17.202 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.973 18.089 2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.817 19.526 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.308 19.419 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.589 18.560 -0.147 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.617 11.593 -0.009 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.724 10.556 -1.021 1.00 0.00 C ATOM 1581 C ASN A 101 -8.525 10.646 -1.967 1.00 0.00 C ATOM 1582 O ASN A 101 -8.686 10.922 -3.155 1.00 0.00 O ATOM 1583 CB ASN A 101 -10.996 10.728 -1.854 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.079 11.458 -1.056 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.676 10.922 -0.137 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.297 12.706 -1.458 1.00 0.00 N ATOM 0 H ASN A 101 -9.771 11.273 0.947 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.752 9.592 -0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.768 11.288 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.365 9.751 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.000 13.277 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.761 13.093 -2.235 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.349 10.408 -1.404 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.123 10.460 -2.182 1.00 0.00 C ATOM 1595 C TRP A 102 -5.556 9.041 -2.265 1.00 0.00 C ATOM 1596 O TRP A 102 -5.464 8.346 -1.254 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.136 11.464 -1.585 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.598 12.920 -1.676 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.698 13.401 -2.272 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.923 14.072 -1.128 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.781 14.773 -2.148 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.668 15.194 -1.430 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.724 14.163 -0.400 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.297 16.488 -1.045 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.366 15.463 -0.023 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.105 16.603 -0.319 1.00 0.00 C ATOM 0 H TRP A 102 -7.220 10.179 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.323 10.815 -3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -4.966 11.212 -0.538 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.179 11.365 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.428 12.792 -2.785 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.523 15.369 -2.516 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.126 13.299 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.897 17.350 -1.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.451 15.589 0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.761 17.573 0.009 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.190 8.654 -3.478 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.634 7.331 -3.705 1.00 0.00 C ATOM 1619 C PHE A 103 -3.173 7.419 -4.152 1.00 0.00 C ATOM 1620 O PHE A 103 -2.778 8.382 -4.807 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.458 6.685 -4.820 1.00 0.00 C ATOM 1622 CG PHE A 103 -6.920 6.432 -4.447 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.848 7.409 -4.632 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.292 5.230 -3.931 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.205 7.175 -4.285 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -8.649 4.995 -3.585 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.577 5.972 -3.769 1.00 0.00 C ATOM 0 H PHE A 103 -5.268 9.233 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.669 6.750 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.424 7.326 -5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -4.995 5.738 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.553 8.363 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.555 4.454 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.941 7.951 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.944 4.040 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.609 5.793 -3.506 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.411 6.401 -3.780 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.003 6.351 -4.134 1.00 0.00 C ATOM 1639 C VAL A 104 -0.868 6.026 -5.623 1.00 0.00 C ATOM 1640 O VAL A 104 0.162 6.311 -6.233 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.272 5.352 -3.235 1.00 0.00 C ATOM 1642 CG1 VAL A 104 1.102 5.002 -3.809 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.151 5.886 -1.807 1.00 0.00 C ATOM 0 H VAL A 104 -2.743 5.604 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.533 7.320 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.863 4.437 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.601 4.290 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.981 4.559 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.705 5.907 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.372 5.157 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.407 6.822 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.146 6.060 -1.398 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.922 5.434 -6.165 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.933 5.067 -7.571 1.00 0.00 C ATOM 1655 C GLY A 105 -1.075 6.029 -8.396 1.00 0.00 C ATOM 1656 O GLY A 105 -1.014 7.221 -8.100 1.00 0.00 O ATOM 0 H GLY A 105 -2.774 5.199 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.560 4.050 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.957 5.076 -7.945 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.433 5.474 -9.414 1.00 0.00 N ATOM 1661 CA LEU A 106 0.419 6.268 -10.283 1.00 0.00 C ATOM 1662 C LEU A 106 -0.278 6.466 -11.630 1.00 0.00 C ATOM 1663 O LEU A 106 -1.034 5.604 -12.075 1.00 0.00 O ATOM 1664 CB LEU A 106 1.807 5.634 -10.396 1.00 0.00 C ATOM 1665 CG LEU A 106 2.496 5.287 -9.075 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.204 3.933 -9.165 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.448 6.404 -8.643 1.00 0.00 C ATOM 0 H LEU A 106 -0.486 4.485 -9.656 1.00 0.00 H new ATOM 0 HA LEU A 106 0.580 7.259 -9.858 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.721 4.723 -10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.452 6.315 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 106 1.731 5.200 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.686 3.710 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.475 3.156 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.956 3.968 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.925 6.132 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.211 6.548 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.887 7.329 -8.512 1.00 0.00 H new ATOM 1679 N LYS A 107 0.001 7.608 -12.242 1.00 0.00 N ATOM 1680 CA LYS A 107 -0.590 7.931 -13.529 1.00 0.00 C ATOM 1681 C LYS A 107 -0.275 6.813 -14.525 1.00 0.00 C ATOM 1682 O LYS A 107 0.204 5.748 -14.137 1.00 0.00 O ATOM 1683 CB LYS A 107 -0.136 9.316 -13.995 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.704 10.412 -13.092 1.00 0.00 C ATOM 1685 CD LYS A 107 -1.070 11.656 -13.904 1.00 0.00 C ATOM 1686 CE LYS A 107 -2.588 11.828 -13.991 1.00 0.00 C ATOM 1687 NZ LYS A 107 -2.942 12.772 -15.075 1.00 0.00 N ATOM 0 H LYS A 107 0.629 8.321 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.675 7.988 -13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.953 9.366 -13.992 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.460 9.482 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.587 10.039 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.028 10.674 -12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.626 12.539 -13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.652 11.576 -14.907 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.059 10.862 -14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.973 12.196 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.976 12.877 -15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.508 13.698 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.591 12.405 -15.983 1.00 0.00 H new ATOM 1701 N LYS A 108 -0.557 7.093 -15.789 1.00 0.00 N ATOM 1702 CA LYS A 108 -0.310 6.125 -16.843 1.00 0.00 C ATOM 1703 C LYS A 108 0.942 6.533 -17.622 1.00 0.00 C ATOM 1704 O LYS A 108 1.442 5.769 -18.446 1.00 0.00 O ATOM 1705 CB LYS A 108 -1.553 5.958 -17.720 1.00 0.00 C ATOM 1706 CG LYS A 108 -1.835 4.480 -17.996 1.00 0.00 C ATOM 1707 CD LYS A 108 -2.257 4.265 -19.451 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.040 4.247 -20.378 1.00 0.00 C ATOM 1709 NZ LYS A 108 -1.447 3.916 -21.762 1.00 0.00 N ATOM 0 H LYS A 108 -0.954 7.977 -16.107 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.114 5.141 -16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.414 6.410 -17.227 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.411 6.487 -18.662 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.944 3.890 -17.781 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.621 4.125 -17.329 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.801 3.325 -19.540 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.940 5.058 -19.756 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.548 5.219 -20.360 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.315 3.516 -20.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.609 3.908 -22.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.896 2.978 -21.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.122 4.629 -22.105 1.00 0.00 H new ATOM 1723 N ASN A 109 1.412 7.738 -17.335 1.00 0.00 N ATOM 1724 CA ASN A 109 2.595 8.258 -17.998 1.00 0.00 C ATOM 1725 C ASN A 109 3.833 7.910 -17.170 1.00 0.00 C ATOM 1726 O ASN A 109 4.861 8.578 -17.271 1.00 0.00 O ATOM 1727 CB ASN A 109 2.528 9.780 -18.131 1.00 0.00 C ATOM 1728 CG ASN A 109 1.887 10.187 -19.460 1.00 0.00 C ATOM 1729 OD1 ASN A 109 1.877 9.444 -20.427 1.00 0.00 O ATOM 1730 ND2 ASN A 109 1.354 11.405 -19.452 1.00 0.00 N ATOM 0 H ASN A 109 0.994 8.369 -16.652 1.00 0.00 H new ATOM 0 HA ASN A 109 2.648 7.811 -18.991 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.953 10.196 -17.304 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.532 10.199 -18.064 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.902 11.769 -20.291 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.397 11.975 -18.607 1.00 0.00 H new ATOM 1737 N GLY A 110 3.695 6.864 -16.368 1.00 0.00 N ATOM 1738 CA GLY A 110 4.789 6.419 -15.522 1.00 0.00 C ATOM 1739 C GLY A 110 5.160 7.491 -14.495 1.00 0.00 C ATOM 1740 O GLY A 110 6.339 7.728 -14.238 1.00 0.00 O ATOM 0 H GLY A 110 2.841 6.312 -16.286 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.505 5.501 -15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.657 6.184 -16.138 1.00 0.00 H new ATOM 1744 N SER A 111 4.131 8.111 -13.937 1.00 0.00 N ATOM 1745 CA SER A 111 4.333 9.153 -12.944 1.00 0.00 C ATOM 1746 C SER A 111 3.331 8.988 -11.800 1.00 0.00 C ATOM 1747 O SER A 111 2.346 8.262 -11.933 1.00 0.00 O ATOM 1748 CB SER A 111 4.201 10.543 -13.569 1.00 0.00 C ATOM 1749 OG SER A 111 5.395 10.945 -14.234 1.00 0.00 O ATOM 0 H SER A 111 3.154 7.912 -14.153 1.00 0.00 H new ATOM 0 HA SER A 111 5.344 9.057 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.373 10.544 -14.278 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.957 11.268 -12.792 1.00 0.00 H new ATOM 0 HG SER A 111 5.270 11.837 -14.621 1.00 0.00 H new ATOM 1755 N CYS A 112 3.616 9.673 -10.703 1.00 0.00 N ATOM 1756 CA CYS A 112 2.751 9.611 -9.536 1.00 0.00 C ATOM 1757 C CYS A 112 1.507 10.456 -9.816 1.00 0.00 C ATOM 1758 O CYS A 112 1.610 11.571 -10.324 1.00 0.00 O ATOM 1759 CB CYS A 112 3.478 10.067 -8.269 1.00 0.00 C ATOM 1760 SG CYS A 112 4.060 11.791 -8.467 1.00 0.00 S ATOM 0 H CYS A 112 4.433 10.274 -10.597 1.00 0.00 H new ATOM 0 HA CYS A 112 2.454 8.578 -9.354 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.809 9.996 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.324 9.410 -8.069 1.00 0.00 H new ATOM 0 HG CYS A 112 3.270 12.425 -9.282 1.00 0.00 H new ATOM 1766 N LYS A 113 0.358 9.892 -9.471 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.905 10.580 -9.678 1.00 0.00 C ATOM 1768 C LYS A 113 -1.255 11.383 -8.424 1.00 0.00 C ATOM 1769 O LYS A 113 -1.530 10.809 -7.371 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.992 9.588 -10.097 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.256 10.320 -10.553 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.429 9.349 -10.699 1.00 0.00 C ATOM 1773 CE LYS A 113 -5.313 9.733 -11.887 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.822 8.521 -12.568 1.00 0.00 N ATOM 0 H LYS A 113 0.276 8.967 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.821 11.292 -10.499 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.622 8.957 -10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.230 8.930 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.510 11.097 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.070 10.817 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.052 8.335 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.022 9.349 -9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.149 10.343 -11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.743 10.340 -12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.850 8.686 -13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.194 7.718 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.780 8.307 -12.225 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.234 12.699 -8.578 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.546 13.586 -7.471 1.00 0.00 C ATOM 1790 C ARG A 114 -2.656 12.986 -6.606 1.00 0.00 C ATOM 1791 O ARG A 114 -3.693 12.569 -7.121 1.00 0.00 O ATOM 1792 CB ARG A 114 -1.989 14.961 -7.975 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.855 15.981 -7.855 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.204 16.241 -9.215 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.479 17.628 -9.651 1.00 0.00 N ATOM 1796 CZ ARG A 114 0.142 18.231 -10.674 1.00 0.00 C ATOM 1797 NH1 ARG A 114 1.076 17.573 -11.372 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -0.173 19.493 -10.998 1.00 0.00 N ATOM 0 H ARG A 114 -1.006 13.172 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.641 13.704 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.307 14.886 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.851 15.302 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.243 16.915 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.105 15.616 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.872 16.078 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.589 15.536 -9.952 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.185 18.158 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.315 16.613 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.549 18.032 -12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.885 19.994 -10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.299 19.953 -11.777 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.402 12.962 -5.306 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.367 12.420 -4.364 1.00 0.00 C ATOM 1814 C GLY A 115 -4.774 12.947 -4.656 1.00 0.00 C ATOM 1815 O GLY A 115 -5.720 12.171 -4.773 1.00 0.00 O ATOM 0 H GLY A 115 -1.542 13.309 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.364 11.331 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.078 12.688 -3.348 1.00 0.00 H new ATOM 1819 N PRO A 116 -4.869 14.299 -4.768 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.143 14.940 -5.044 1.00 0.00 C ATOM 1821 C PRO A 116 -6.544 14.755 -6.510 1.00 0.00 C ATOM 1822 O PRO A 116 -7.521 15.345 -6.969 1.00 0.00 O ATOM 1823 CB PRO A 116 -5.942 16.397 -4.663 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.438 16.615 -4.628 1.00 0.00 C ATOM 1825 CD PRO A 116 -3.769 15.251 -4.636 1.00 0.00 C ATOM 0 HA PRO A 116 -6.965 14.504 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.416 17.059 -5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.391 16.613 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.117 17.202 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.154 17.174 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.065 15.160 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.206 15.081 -3.718 1.00 0.00 H new ATOM 1833 N ARG A 117 -5.769 13.934 -7.203 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.031 13.664 -8.606 1.00 0.00 C ATOM 1835 C ARG A 117 -6.233 12.164 -8.830 1.00 0.00 C ATOM 1836 O ARG A 117 -5.721 11.603 -9.798 1.00 0.00 O ATOM 1837 CB ARG A 117 -4.878 14.153 -9.485 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.863 15.681 -9.570 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.106 16.153 -11.005 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.928 17.620 -11.092 1.00 0.00 N ATOM 1841 CZ ARG A 117 -4.673 18.279 -12.230 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -4.563 17.606 -13.384 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -4.526 19.611 -12.215 1.00 0.00 N ATOM 0 H ARG A 117 -4.959 13.447 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 117 -6.938 14.201 -8.883 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.931 13.799 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -4.974 13.730 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.629 16.093 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.904 16.059 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.414 15.654 -11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.113 15.881 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 117 -5.004 18.163 -10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -4.673 16.592 -13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.369 18.108 -14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.608 20.123 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.332 20.112 -13.082 1.00 0.00 H new ATOM 1857 N THR A 118 -6.979 11.558 -7.919 1.00 0.00 N ATOM 1858 CA THR A 118 -7.255 10.134 -8.004 1.00 0.00 C ATOM 1859 C THR A 118 -8.757 9.873 -7.870 1.00 0.00 C ATOM 1860 O THR A 118 -9.514 10.764 -7.488 1.00 0.00 O ATOM 1861 CB THR A 118 -6.417 9.425 -6.939 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.603 10.216 -5.768 1.00 0.00 O ATOM 1863 CG2 THR A 118 -4.915 9.518 -7.217 1.00 0.00 C ATOM 0 H THR A 118 -7.401 12.027 -7.118 1.00 0.00 H new ATOM 0 HA THR A 118 -6.973 9.734 -8.978 1.00 0.00 H new ATOM 0 HB THR A 118 -6.711 8.377 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.917 10.915 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.367 8.999 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.694 9.057 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.613 10.565 -7.239 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.142 8.646 -8.191 1.00 0.00 N ATOM 1872 CA HIS A 119 -10.540 8.256 -8.110 1.00 0.00 C ATOM 1873 C HIS A 119 -10.639 6.777 -7.731 1.00 0.00 C ATOM 1874 O HIS A 119 -9.628 6.079 -7.670 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.271 8.585 -9.413 1.00 0.00 C ATOM 1876 CG HIS A 119 -11.396 10.064 -9.691 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -10.452 10.992 -10.020 1.00 0.00 N flip ATOM 1878 CD2 HIS A 119 -12.605 10.736 -9.644 1.00 0.00 C flip ATOM 1879 CE1 HIS A 119 -11.052 12.167 -10.166 1.00 0.00 C flip ATOM 1880 NE2 HIS A 119 -12.387 12.010 -9.933 1.00 0.00 N flip ATOM 0 H HIS A 119 -8.511 7.910 -8.507 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.037 8.829 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.744 8.113 -10.242 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.268 8.147 -9.379 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.564 10.296 -9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -10.564 13.094 -10.426 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.093 12.745 -9.974 1.00 0.00 H new ATOM 1888 N TYR A 120 -11.867 6.343 -7.486 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.111 4.960 -7.115 1.00 0.00 C ATOM 1890 C TYR A 120 -12.465 4.117 -8.342 1.00 0.00 C ATOM 1891 O TYR A 120 -13.237 4.551 -9.196 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.310 4.984 -6.164 1.00 0.00 C ATOM 1893 CG TYR A 120 -13.298 3.866 -5.120 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -12.150 3.609 -4.398 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -14.435 3.115 -4.900 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -12.139 2.557 -3.414 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -14.424 2.063 -3.917 1.00 0.00 C ATOM 1898 CZ TYR A 120 -13.277 1.836 -3.222 1.00 0.00 C ATOM 1899 OH TYR A 120 -13.266 0.842 -2.294 1.00 0.00 O ATOM 0 H TYR A 120 -12.703 6.925 -7.537 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.223 4.523 -6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.335 5.946 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.227 4.911 -6.749 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -11.260 4.196 -4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.333 3.316 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -11.248 2.345 -2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -15.307 1.468 -3.736 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.043 -0.008 -2.728 1.00 0.00 H new ATOM 1909 N GLY A 121 -11.885 2.927 -8.391 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.129 2.020 -9.499 1.00 0.00 C ATOM 1911 C GLY A 121 -11.163 2.292 -10.654 1.00 0.00 C ATOM 1912 O GLY A 121 -11.386 1.837 -11.774 1.00 0.00 O ATOM 0 H GLY A 121 -11.246 2.570 -7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.017 0.990 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.156 2.132 -9.846 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.110 3.033 -10.340 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.110 3.370 -11.338 1.00 0.00 C ATOM 1918 C GLN A 122 -7.933 2.395 -11.261 1.00 0.00 C ATOM 1919 O GLN A 122 -7.472 2.058 -10.172 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.636 4.816 -11.172 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.782 5.800 -11.411 1.00 0.00 C ATOM 1922 CD GLN A 122 -9.289 7.049 -12.144 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -8.768 7.975 -11.344 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -9.375 7.164 -13.356 1.00 0.00 N flip ATOM 0 H GLN A 122 -9.928 3.409 -9.409 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.565 3.282 -12.324 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.234 4.958 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.826 5.019 -11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.565 5.317 -11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.226 6.085 -10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.786 6.414 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.035 8.010 -13.813 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.481 1.969 -12.432 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.367 1.040 -12.511 1.00 0.00 C ATOM 1935 C LYS A 123 -5.154 1.643 -11.800 1.00 0.00 C ATOM 1936 O LYS A 123 -4.211 0.929 -11.461 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.097 0.650 -13.965 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.403 -0.711 -14.048 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.374 -1.793 -14.525 1.00 0.00 C ATOM 1940 CE LYS A 123 -6.761 -1.576 -15.989 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.208 -1.287 -16.105 1.00 0.00 N ATOM 0 H LYS A 123 -7.866 2.250 -13.333 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.609 0.110 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.036 0.617 -14.517 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.475 1.409 -14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.556 -0.650 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.005 -0.980 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.916 -2.775 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.269 -1.783 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.185 -0.750 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.513 -2.463 -16.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.379 -0.701 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.734 -2.180 -16.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.529 -0.777 -15.258 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.218 2.950 -11.594 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.136 3.657 -10.930 1.00 0.00 C ATOM 1957 C ALA A 124 -4.097 3.250 -9.455 1.00 0.00 C ATOM 1958 O ALA A 124 -3.108 2.686 -8.989 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.322 5.164 -11.114 1.00 0.00 C ATOM 0 H ALA A 124 -6.002 3.538 -11.875 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.176 3.391 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.510 5.694 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.314 5.404 -12.177 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.274 5.469 -10.680 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.185 3.552 -8.762 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.287 3.225 -7.350 1.00 0.00 C ATOM 1967 C ILE A 125 -5.120 1.716 -7.167 1.00 0.00 C ATOM 1968 O ILE A 125 -4.575 1.265 -6.161 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.590 3.775 -6.766 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -7.747 2.800 -6.992 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -6.896 5.167 -7.323 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.088 3.449 -6.642 1.00 0.00 C ATOM 0 H ILE A 125 -6.003 4.020 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.485 3.705 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.464 3.880 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.756 2.476 -8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.600 1.909 -6.382 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.827 5.535 -6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.084 5.848 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.995 5.111 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -9.893 2.734 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.084 3.750 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.243 4.326 -7.270 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.600 0.975 -8.156 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.511 -0.474 -8.117 1.00 0.00 C ATOM 1986 C LEU A 126 -4.038 -0.890 -8.097 1.00 0.00 C ATOM 1987 O LEU A 126 -3.378 -0.897 -9.135 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.309 -1.092 -9.267 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.822 -0.868 -9.230 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.455 -1.174 -10.588 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.468 -1.674 -8.101 1.00 0.00 C ATOM 0 H LEU A 126 -6.052 1.352 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.964 -0.859 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.925 -0.692 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.121 -2.166 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.006 0.185 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.531 -1.007 -10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.024 -0.520 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.262 -2.214 -10.853 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.544 -1.497 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.276 -2.736 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.046 -1.364 -7.145 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.568 -1.227 -6.905 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.186 -1.642 -6.737 1.00 0.00 C ATOM 2005 C PHE A 127 -2.096 -3.140 -6.436 1.00 0.00 C ATOM 2006 O PHE A 127 -2.825 -3.651 -5.587 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.625 -0.861 -5.547 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.903 0.431 -5.935 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -0.012 0.429 -6.963 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -1.151 1.580 -5.253 1.00 0.00 C ATOM 2011 CE1 PHE A 127 0.658 1.628 -7.323 1.00 0.00 C ATOM 2012 CE2 PHE A 127 -0.481 2.779 -5.613 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.410 2.777 -6.641 1.00 0.00 C ATOM 0 H PHE A 127 -4.119 -1.221 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.626 -1.448 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.442 -0.619 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.933 -1.501 -4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.186 -0.484 -7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.858 1.581 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.365 1.627 -8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.679 3.692 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.920 3.689 -6.915 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.197 -3.802 -7.149 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.003 -5.231 -6.970 1.00 0.00 C ATOM 2025 C LEU A 128 0.413 -5.487 -6.452 1.00 0.00 C ATOM 2026 O LEU A 128 1.392 -5.135 -7.109 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.332 -5.983 -8.261 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.427 -7.047 -8.157 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -2.647 -7.740 -9.503 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.114 -8.047 -7.042 1.00 0.00 C ATOM 0 H LEU A 128 -0.594 -3.375 -7.852 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.692 -5.618 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.630 -5.256 -9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.421 -6.461 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.362 -6.552 -7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.430 -8.491 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.946 -7.002 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.722 -8.221 -9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.907 -8.793 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -1.165 -8.541 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -2.046 -7.521 -6.090 1.00 0.00 H new ATOM 2042 N PRO A 129 0.480 -6.116 -5.248 1.00 0.00 N ATOM 2043 CA PRO A 129 1.761 -6.424 -4.635 1.00 0.00 C ATOM 2044 C PRO A 129 2.431 -7.611 -5.330 1.00 0.00 C ATOM 2045 O PRO A 129 1.852 -8.694 -5.413 1.00 0.00 O ATOM 2046 CB PRO A 129 1.443 -6.695 -3.173 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.048 -6.984 -3.118 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.657 -6.548 -4.441 1.00 0.00 C ATOM 0 HA PRO A 129 2.478 -5.609 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.019 -7.541 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.698 -5.836 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.225 -8.046 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.510 -6.447 -2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.193 -7.368 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.373 -5.738 -4.300 1.00 0.00 H new ATOM 2056 N LEU A 130 3.640 -7.368 -5.813 1.00 0.00 N ATOM 2057 CA LEU A 130 4.394 -8.403 -6.499 1.00 0.00 C ATOM 2058 C LEU A 130 5.522 -8.895 -5.589 1.00 0.00 C ATOM 2059 O LEU A 130 6.027 -8.141 -4.758 1.00 0.00 O ATOM 2060 CB LEU A 130 4.878 -7.901 -7.861 1.00 0.00 C ATOM 2061 CG LEU A 130 3.786 -7.561 -8.877 1.00 0.00 C ATOM 2062 CD1 LEU A 130 4.336 -6.676 -9.997 1.00 0.00 C ATOM 2063 CD2 LEU A 130 3.129 -8.831 -9.421 1.00 0.00 C ATOM 0 H LEU A 130 4.117 -6.469 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 130 3.756 -9.261 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.489 -7.012 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.528 -8.660 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 130 3.010 -6.990 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.540 -6.449 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.719 -5.748 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.142 -7.199 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.356 -8.561 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.882 -9.449 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.680 -9.389 -8.599 1.00 0.00 H new ATOM 2075 N PRO A 131 5.892 -10.189 -5.781 1.00 0.00 N ATOM 2076 CA PRO A 131 6.951 -10.790 -4.987 1.00 0.00 C ATOM 2077 C PRO A 131 8.325 -10.293 -5.439 1.00 0.00 C ATOM 2078 O PRO A 131 8.495 -9.885 -6.587 1.00 0.00 O ATOM 2079 CB PRO A 131 6.773 -12.289 -5.165 1.00 0.00 C ATOM 2080 CG PRO A 131 5.921 -12.463 -6.412 1.00 0.00 C ATOM 2081 CD PRO A 131 5.316 -11.111 -6.755 1.00 0.00 C ATOM 0 HA PRO A 131 6.893 -10.518 -3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.737 -12.786 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.287 -12.730 -4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.527 -12.831 -7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 131 5.136 -13.200 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.562 -10.814 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.229 -11.134 -6.683 1.00 0.00 H new ATOM 2089 N VAL A 132 9.271 -10.343 -4.513 1.00 0.00 N ATOM 2090 CA VAL A 132 10.626 -9.903 -4.802 1.00 0.00 C ATOM 2091 C VAL A 132 11.594 -10.568 -3.822 1.00 0.00 C ATOM 2092 O VAL A 132 11.174 -11.100 -2.795 1.00 0.00 O ATOM 2093 CB VAL A 132 10.697 -8.375 -4.770 1.00 0.00 C ATOM 2094 CG1 VAL A 132 11.033 -7.872 -3.365 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.705 -7.852 -5.796 1.00 0.00 C ATOM 0 H VAL A 132 9.126 -10.681 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 132 10.921 -10.208 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 132 9.714 -7.987 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 132 11.078 -6.783 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.263 -8.201 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.998 -8.273 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.736 -6.763 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.694 -8.253 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.404 -8.167 -6.795 1.00 0.00 H new