USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1216 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: B 26 ASN : amide:sc= -1.14! K(o=-3.7!,f=-4.4) USER MOD Set 1.2: B 91 ASN : amide:sc= -2.06 K(o=-3.7,f=-5.1) USER MOD Set 1.3: B 93 LYS NZ :NH3+ 143:sc= -0.523 (180deg=-2.28!) USER MOD Set 2.1: B 47 CYS SG : rot 180:sc= 0.221 USER MOD Set 2.2: B 55 SER OG : rot -100:sc= 0.137 USER MOD Set 3.1: B 37 SER OG : rot 83:sc= 1.37 USER MOD Set 3.2: B 38 CYS SG : rot 180:sc= 0.831 USER MOD Set 4.1: A 9 LYS NZ :NH3+ 155:sc= -0.19 (180deg=-2.17!) USER MOD Set 4.2: B 75 TYR OH : rot -159:sc= -6.09! USER MOD Set 5.1: A 6 LYS NZ :NH3+ 147:sc= 0.0331 (180deg=0) USER MOD Set 5.2: A 26 CYS SG : rot -75:sc= 1.16 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0223 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0.115 (180deg=0.0884) USER MOD Single : A 25 SER OG : rot 140:sc= -4.37! USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= 0.00496 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.01! C(o=-2!,f=-0.37!) USER MOD Single : A 44 SER OG : rot -83:sc= -3.92! USER MOD Single : A 47 CYS SG : rot -28:sc= -1.17! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -44:sc= 0.62 USER MOD Single : A 66 ASN : amide:sc= -0.299! C(o=-0.3!,f=-5.9!) USER MOD Single : A 73 THR OG1 : rot 53:sc= 1.27 USER MOD Single : A 76 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.4!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -149:sc= -0.225 (180deg=-1.55!) USER MOD Single : B 21 CYS SG : rot 62:sc= 1.19 USER MOD Single : B 27 TYR OH : rot 30:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -0.788 X(o=-0.79,f=-0.68) USER MOD Single : B 32 HIS : no HD1:sc= -16.2! C(o=-16!,f=-13!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -111:sc=-0.00628 (180deg=-0.308) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 THR OG1 : rot -70:sc= -5.17! USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : B 68 THR OG1 : rot -18:sc= -1.03! USER MOD Single : B 78 CYS SG : rot -32:sc= -0.946 USER MOD Single : B 81 SER OG : rot 180:sc= -2.13! USER MOD Single : B 82 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.7) USER MOD Single : B 83 THR OG1 : rot -88:sc= 0.384! USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 SER OG : rot -140:sc= 0 USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N PRO A 5 2.263 14.999 1.897 1.00 0.00 N ATOM 79 CA PRO A 5 2.788 13.631 1.674 1.00 0.00 C ATOM 80 C PRO A 5 3.367 13.499 0.262 1.00 0.00 C ATOM 81 O PRO A 5 2.876 14.090 -0.679 1.00 0.00 O ATOM 82 CB PRO A 5 1.559 12.743 1.839 1.00 0.00 C ATOM 83 CG PRO A 5 0.393 13.627 1.524 1.00 0.00 C ATOM 84 CD PRO A 5 0.798 15.043 1.851 1.00 0.00 C ATOM 0 HA PRO A 5 3.595 13.368 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.598 11.887 1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.491 12.348 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.118 13.540 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.480 13.333 2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.445 15.743 1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.380 15.366 2.804 1.00 0.00 H new ATOM 92 N LYS A 6 4.402 12.720 0.109 1.00 0.00 N ATOM 93 CA LYS A 6 5.010 12.539 -1.239 1.00 0.00 C ATOM 94 C LYS A 6 4.527 11.224 -1.853 1.00 0.00 C ATOM 95 O LYS A 6 4.287 10.259 -1.158 1.00 0.00 O ATOM 96 CB LYS A 6 6.519 12.494 -0.988 1.00 0.00 C ATOM 97 CG LYS A 6 7.245 13.299 -2.067 1.00 0.00 C ATOM 98 CD LYS A 6 8.731 12.938 -2.059 1.00 0.00 C ATOM 99 CE LYS A 6 9.292 13.112 -0.645 1.00 0.00 C ATOM 100 NZ LYS A 6 10.741 12.787 -0.763 1.00 0.00 N ATOM 0 H LYS A 6 4.854 12.200 0.861 1.00 0.00 H new ATOM 0 HA LYS A 6 4.738 13.336 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.746 12.901 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.868 11.461 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.814 13.088 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.118 14.366 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.868 11.909 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.274 13.574 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.144 14.130 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.795 12.448 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.283 13.368 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.890 11.781 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.063 12.985 -1.732 1.00 0.00 H new ATOM 114 N SER A 7 4.378 11.175 -3.148 1.00 0.00 N ATOM 115 CA SER A 7 3.906 9.915 -3.794 1.00 0.00 C ATOM 116 C SER A 7 5.066 8.925 -3.933 1.00 0.00 C ATOM 117 O SER A 7 5.966 9.120 -4.723 1.00 0.00 O ATOM 118 CB SER A 7 3.399 10.342 -5.170 1.00 0.00 C ATOM 119 OG SER A 7 3.037 11.718 -5.131 1.00 0.00 O ATOM 0 H SER A 7 4.562 11.949 -3.786 1.00 0.00 H new ATOM 0 HA SER A 7 3.132 9.417 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.171 10.178 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.540 9.736 -5.458 1.00 0.00 H new ATOM 0 HG SER A 7 2.713 11.996 -6.013 1.00 0.00 H new ATOM 125 N VAL A 8 5.053 7.865 -3.170 1.00 0.00 N ATOM 126 CA VAL A 8 6.161 6.869 -3.265 1.00 0.00 C ATOM 127 C VAL A 8 5.615 5.441 -3.150 1.00 0.00 C ATOM 128 O VAL A 8 5.394 4.937 -2.068 1.00 0.00 O ATOM 129 CB VAL A 8 7.086 7.187 -2.089 1.00 0.00 C ATOM 130 CG1 VAL A 8 6.274 7.237 -0.793 1.00 0.00 C ATOM 131 CG2 VAL A 8 8.155 6.098 -1.974 1.00 0.00 C ATOM 0 H VAL A 8 4.327 7.646 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 8 6.681 6.928 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 8 7.562 8.153 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.936 7.464 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.511 8.011 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.796 6.272 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.815 6.323 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.675 5.133 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.737 6.061 -2.895 1.00 0.00 H new ATOM 141 N LYS A 9 5.405 4.784 -4.259 1.00 0.00 N ATOM 142 CA LYS A 9 4.884 3.384 -4.211 1.00 0.00 C ATOM 143 C LYS A 9 6.031 2.412 -3.914 1.00 0.00 C ATOM 144 O LYS A 9 7.130 2.570 -4.408 1.00 0.00 O ATOM 145 CB LYS A 9 4.314 3.127 -5.605 1.00 0.00 C ATOM 146 CG LYS A 9 3.020 3.922 -5.784 1.00 0.00 C ATOM 147 CD LYS A 9 2.683 4.021 -7.273 1.00 0.00 C ATOM 148 CE LYS A 9 1.660 5.137 -7.494 1.00 0.00 C ATOM 149 NZ LYS A 9 2.317 6.376 -6.982 1.00 0.00 N ATOM 0 H LYS A 9 5.571 5.154 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 9 4.134 3.245 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.039 3.418 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.121 2.063 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.205 3.436 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.132 4.919 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.587 4.223 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.284 3.072 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.404 5.234 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.733 4.933 -6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.907 7.207 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.165 6.451 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.337 6.334 -7.178 1.00 0.00 H new ATOM 163 N LEU A 10 5.789 1.409 -3.113 1.00 0.00 N ATOM 164 CA LEU A 10 6.876 0.435 -2.793 1.00 0.00 C ATOM 165 C LEU A 10 6.671 -0.868 -3.569 1.00 0.00 C ATOM 166 O LEU A 10 5.655 -1.076 -4.201 1.00 0.00 O ATOM 167 CB LEU A 10 6.762 0.185 -1.290 1.00 0.00 C ATOM 168 CG LEU A 10 8.084 0.549 -0.611 1.00 0.00 C ATOM 169 CD1 LEU A 10 7.936 0.409 0.905 1.00 0.00 C ATOM 170 CD2 LEU A 10 9.185 -0.391 -1.103 1.00 0.00 C ATOM 0 H LEU A 10 4.891 1.221 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 10 7.859 0.816 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.950 0.780 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.520 -0.861 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 10 8.346 1.578 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.878 0.668 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.151 1.078 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.673 -0.620 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.127 -0.132 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.922 -1.420 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.292 -0.292 -2.183 1.00 0.00 H new ATOM 182 N ARG A 11 7.635 -1.748 -3.524 1.00 0.00 N ATOM 183 CA ARG A 11 7.502 -3.040 -4.260 1.00 0.00 C ATOM 184 C ARG A 11 8.180 -4.175 -3.484 1.00 0.00 C ATOM 185 O ARG A 11 8.875 -3.950 -2.513 1.00 0.00 O ATOM 186 CB ARG A 11 8.210 -2.807 -5.594 1.00 0.00 C ATOM 187 CG ARG A 11 7.960 -4.000 -6.519 1.00 0.00 C ATOM 188 CD ARG A 11 8.454 -3.668 -7.929 1.00 0.00 C ATOM 189 NE ARG A 11 7.438 -4.263 -8.841 1.00 0.00 N ATOM 190 CZ ARG A 11 6.281 -3.678 -9.006 1.00 0.00 C ATOM 191 NH1 ARG A 11 6.011 -2.569 -8.373 1.00 0.00 N ATOM 192 NH2 ARG A 11 5.394 -4.205 -9.805 1.00 0.00 N ATOM 0 H ARG A 11 8.508 -1.629 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 11 6.460 -3.331 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.844 -1.891 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.280 -2.677 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.477 -4.882 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.897 -4.239 -6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.534 -2.591 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.443 -4.089 -8.111 1.00 0.00 H new ATOM 0 HE ARG A 11 7.646 -5.129 -9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.704 -2.157 -7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.107 -2.114 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.604 -5.072 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.490 -3.750 -9.935 1.00 0.00 H new ATOM 206 N ALA A 12 7.981 -5.393 -3.911 1.00 0.00 N ATOM 207 CA ALA A 12 8.609 -6.551 -3.210 1.00 0.00 C ATOM 208 C ALA A 12 9.102 -7.578 -4.237 1.00 0.00 C ATOM 209 O ALA A 12 8.741 -7.526 -5.396 1.00 0.00 O ATOM 210 CB ALA A 12 7.494 -7.146 -2.350 1.00 0.00 C ATOM 0 H ALA A 12 7.408 -5.637 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 12 9.471 -6.257 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.878 -8.006 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.138 -6.395 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.670 -7.462 -2.990 1.00 0.00 H new ATOM 216 N LEU A 13 9.921 -8.509 -3.828 1.00 0.00 N ATOM 217 CA LEU A 13 10.426 -9.529 -4.793 1.00 0.00 C ATOM 218 C LEU A 13 9.944 -10.929 -4.399 1.00 0.00 C ATOM 219 O LEU A 13 9.265 -11.593 -5.156 1.00 0.00 O ATOM 220 CB LEU A 13 11.951 -9.444 -4.706 1.00 0.00 C ATOM 221 CG LEU A 13 12.432 -8.189 -5.433 1.00 0.00 C ATOM 222 CD1 LEU A 13 13.951 -8.071 -5.300 1.00 0.00 C ATOM 223 CD2 LEU A 13 12.057 -8.286 -6.914 1.00 0.00 C ATOM 0 H LEU A 13 10.261 -8.608 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 13 10.064 -9.345 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.266 -9.416 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.402 -10.331 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 13 11.960 -7.310 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.293 -7.176 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.220 -8.005 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.424 -8.949 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.399 -7.392 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.530 -9.165 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.975 -8.371 -7.010 1.00 0.00 H new ATOM 235 N ARG A 14 10.293 -11.385 -3.225 1.00 0.00 N ATOM 236 CA ARG A 14 9.853 -12.745 -2.796 1.00 0.00 C ATOM 237 C ARG A 14 8.388 -12.968 -3.176 1.00 0.00 C ATOM 238 O ARG A 14 8.062 -13.856 -3.939 1.00 0.00 O ATOM 239 CB ARG A 14 10.019 -12.754 -1.276 1.00 0.00 C ATOM 240 CG ARG A 14 9.753 -14.162 -0.740 1.00 0.00 C ATOM 241 CD ARG A 14 9.798 -14.145 0.790 1.00 0.00 C ATOM 242 NE ARG A 14 8.874 -15.231 1.214 1.00 0.00 N ATOM 243 CZ ARG A 14 9.231 -16.483 1.094 1.00 0.00 C ATOM 244 NH1 ARG A 14 10.402 -16.786 0.602 1.00 0.00 N ATOM 245 NH2 ARG A 14 8.416 -17.430 1.469 1.00 0.00 N ATOM 0 H ARG A 14 10.861 -10.877 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 14 10.431 -13.537 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.027 -12.436 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.329 -12.044 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.780 -14.514 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.498 -14.857 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.809 -14.321 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.480 -13.180 1.184 1.00 0.00 H new ATOM 0 HE ARG A 14 7.959 -14.998 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.040 -16.045 0.311 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.679 -17.763 0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.502 -17.193 1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.693 -18.407 1.376 1.00 0.00 H new ATOM 259 N SER A 15 7.504 -12.160 -2.660 1.00 0.00 N ATOM 260 CA SER A 15 6.062 -12.316 -3.001 1.00 0.00 C ATOM 261 C SER A 15 5.639 -11.207 -3.968 1.00 0.00 C ATOM 262 O SER A 15 6.087 -10.084 -3.853 1.00 0.00 O ATOM 263 CB SER A 15 5.322 -12.183 -1.670 1.00 0.00 C ATOM 264 OG SER A 15 3.920 -12.214 -1.906 1.00 0.00 O ATOM 0 H SER A 15 7.718 -11.398 -2.017 1.00 0.00 H new ATOM 0 HA SER A 15 5.847 -13.268 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.607 -12.994 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.599 -11.250 -1.178 1.00 0.00 H new ATOM 0 HG SER A 15 3.443 -12.131 -1.054 1.00 0.00 H new ATOM 270 N PRO A 16 4.791 -11.559 -4.893 1.00 0.00 N ATOM 271 CA PRO A 16 4.312 -10.572 -5.889 1.00 0.00 C ATOM 272 C PRO A 16 3.339 -9.589 -5.234 1.00 0.00 C ATOM 273 O PRO A 16 2.137 -9.749 -5.300 1.00 0.00 O ATOM 274 CB PRO A 16 3.602 -11.432 -6.932 1.00 0.00 C ATOM 275 CG PRO A 16 3.198 -12.673 -6.201 1.00 0.00 C ATOM 276 CD PRO A 16 4.203 -12.886 -5.098 1.00 0.00 C ATOM 0 HA PRO A 16 5.112 -9.968 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.734 -10.917 -7.344 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.262 -11.664 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.193 -12.569 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.180 -13.529 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.727 -13.256 -4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.959 -13.618 -5.383 1.00 0.00 H new ATOM 284 N ARG A 17 3.854 -8.569 -4.603 1.00 0.00 N ATOM 285 CA ARG A 17 2.965 -7.573 -3.942 1.00 0.00 C ATOM 286 C ARG A 17 3.586 -6.177 -4.024 1.00 0.00 C ATOM 287 O ARG A 17 4.788 -6.025 -4.125 1.00 0.00 O ATOM 288 CB ARG A 17 2.868 -8.031 -2.487 1.00 0.00 C ATOM 289 CG ARG A 17 1.715 -7.300 -1.797 1.00 0.00 C ATOM 290 CD ARG A 17 1.420 -7.962 -0.450 1.00 0.00 C ATOM 291 NE ARG A 17 0.480 -9.074 -0.767 1.00 0.00 N ATOM 292 CZ ARG A 17 -0.269 -9.588 0.173 1.00 0.00 C ATOM 293 NH1 ARG A 17 -0.200 -9.130 1.394 1.00 0.00 N ATOM 294 NH2 ARG A 17 -1.091 -10.561 -0.111 1.00 0.00 N ATOM 0 H ARG A 17 4.853 -8.383 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 17 1.985 -7.515 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.707 -9.108 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.804 -7.827 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.973 -6.251 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.826 -7.324 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.332 -8.336 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.974 -7.254 0.249 1.00 0.00 H new ATOM 0 HE ARG A 17 0.421 -9.435 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.440 -8.368 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.786 -9.534 2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.148 -10.919 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.677 -10.964 0.621 1.00 0.00 H new ATOM 308 N LYS A 18 2.779 -5.155 -3.973 1.00 0.00 N ATOM 309 CA LYS A 18 3.324 -3.770 -4.041 1.00 0.00 C ATOM 310 C LYS A 18 2.566 -2.864 -3.067 1.00 0.00 C ATOM 311 O LYS A 18 1.378 -2.649 -3.201 1.00 0.00 O ATOM 312 CB LYS A 18 3.098 -3.323 -5.485 1.00 0.00 C ATOM 313 CG LYS A 18 1.609 -3.410 -5.821 1.00 0.00 C ATOM 314 CD LYS A 18 1.425 -3.383 -7.338 1.00 0.00 C ATOM 315 CE LYS A 18 2.176 -2.185 -7.922 1.00 0.00 C ATOM 316 NZ LYS A 18 1.622 -2.016 -9.294 1.00 0.00 N ATOM 0 H LYS A 18 1.765 -5.218 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 18 4.378 -3.723 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.453 -2.301 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.672 -3.952 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.186 -4.326 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.073 -2.578 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.798 -4.308 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.365 -3.317 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.020 -1.290 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.250 -2.368 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.189 -1.316 -9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.653 -2.927 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.637 -1.688 -9.233 1.00 0.00 H new ATOM 330 N PHE A 19 3.243 -2.335 -2.085 1.00 0.00 N ATOM 331 CA PHE A 19 2.561 -1.450 -1.101 1.00 0.00 C ATOM 332 C PHE A 19 2.759 0.017 -1.489 1.00 0.00 C ATOM 333 O PHE A 19 3.867 0.515 -1.512 1.00 0.00 O ATOM 334 CB PHE A 19 3.248 -1.748 0.229 1.00 0.00 C ATOM 335 CG PHE A 19 2.894 -3.146 0.678 1.00 0.00 C ATOM 336 CD1 PHE A 19 3.338 -4.250 -0.060 1.00 0.00 C ATOM 337 CD2 PHE A 19 2.123 -3.338 1.830 1.00 0.00 C ATOM 338 CE1 PHE A 19 3.011 -5.546 0.355 1.00 0.00 C ATOM 339 CE2 PHE A 19 1.796 -4.635 2.245 1.00 0.00 C ATOM 340 CZ PHE A 19 2.240 -5.739 1.508 1.00 0.00 C ATOM 0 H PHE A 19 4.240 -2.478 -1.922 1.00 0.00 H new ATOM 0 HA PHE A 19 1.486 -1.625 -1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.328 -1.652 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.937 -1.023 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.933 -4.101 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.780 -2.486 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.353 -6.398 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.201 -4.783 3.134 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.988 -6.739 1.828 1.00 0.00 H new ATOM 350 N GLY A 20 1.700 0.714 -1.796 1.00 0.00 N ATOM 351 CA GLY A 20 1.845 2.145 -2.185 1.00 0.00 C ATOM 352 C GLY A 20 1.513 3.045 -0.993 1.00 0.00 C ATOM 353 O GLY A 20 0.419 3.022 -0.465 1.00 0.00 O ATOM 0 H GLY A 20 0.745 0.357 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.863 2.337 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.182 2.373 -3.020 1.00 0.00 H new ATOM 357 N VAL A 21 2.456 3.844 -0.571 1.00 0.00 N ATOM 358 CA VAL A 21 2.214 4.759 0.582 1.00 0.00 C ATOM 359 C VAL A 21 2.874 6.114 0.314 1.00 0.00 C ATOM 360 O VAL A 21 4.054 6.192 0.034 1.00 0.00 O ATOM 361 CB VAL A 21 2.866 4.070 1.780 1.00 0.00 C ATOM 362 CG1 VAL A 21 2.911 5.037 2.964 1.00 0.00 C ATOM 363 CG2 VAL A 21 2.047 2.836 2.166 1.00 0.00 C ATOM 0 H VAL A 21 3.389 3.902 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 21 1.154 4.945 0.752 1.00 0.00 H new ATOM 0 HB VAL A 21 3.880 3.769 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.376 4.545 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.492 5.918 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.897 5.338 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.511 2.344 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.034 3.139 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.012 2.145 1.324 1.00 0.00 H new ATOM 373 N ALA A 22 2.128 7.181 0.395 1.00 0.00 N ATOM 374 CA ALA A 22 2.727 8.522 0.136 1.00 0.00 C ATOM 375 C ALA A 22 3.044 9.227 1.458 1.00 0.00 C ATOM 376 O ALA A 22 2.269 10.023 1.951 1.00 0.00 O ATOM 377 CB ALA A 22 1.657 9.292 -0.639 1.00 0.00 C ATOM 0 H ALA A 22 1.135 7.184 0.628 1.00 0.00 H new ATOM 0 HA ALA A 22 3.663 8.454 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.023 10.293 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.431 8.767 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.753 9.366 -0.035 1.00 0.00 H new ATOM 383 N GLY A 23 4.178 8.941 2.037 1.00 0.00 N ATOM 384 CA GLY A 23 4.542 9.592 3.327 1.00 0.00 C ATOM 385 C GLY A 23 5.529 10.732 3.069 1.00 0.00 C ATOM 386 O GLY A 23 6.348 10.667 2.174 1.00 0.00 O ATOM 0 H GLY A 23 4.868 8.284 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.647 9.977 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.985 8.860 4.002 1.00 0.00 H new ATOM 390 N ARG A 24 5.457 11.776 3.849 1.00 0.00 N ATOM 391 CA ARG A 24 6.391 12.920 3.652 1.00 0.00 C ATOM 392 C ARG A 24 7.753 12.604 4.277 1.00 0.00 C ATOM 393 O ARG A 24 8.772 13.121 3.865 1.00 0.00 O ATOM 394 CB ARG A 24 5.729 14.096 4.370 1.00 0.00 C ATOM 395 CG ARG A 24 6.479 15.388 4.040 1.00 0.00 C ATOM 396 CD ARG A 24 5.825 16.559 4.775 1.00 0.00 C ATOM 397 NE ARG A 24 6.904 17.575 4.922 1.00 0.00 N ATOM 398 CZ ARG A 24 6.676 18.685 5.571 1.00 0.00 C ATOM 399 NH1 ARG A 24 5.502 18.911 6.096 1.00 0.00 N ATOM 400 NH2 ARG A 24 7.626 19.572 5.696 1.00 0.00 N ATOM 0 H ARG A 24 4.792 11.886 4.614 1.00 0.00 H new ATOM 0 HA ARG A 24 6.569 13.134 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.686 14.181 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.733 13.926 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.525 15.299 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.464 15.565 2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.982 16.958 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.440 16.249 5.747 1.00 0.00 H new ATOM 0 HE ARG A 24 7.823 17.403 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.759 18.219 6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.328 19.779 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.544 19.397 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.450 20.440 6.202 1.00 0.00 H new ATOM 414 N SER A 25 7.777 11.756 5.269 1.00 0.00 N ATOM 415 CA SER A 25 9.070 11.405 5.921 1.00 0.00 C ATOM 416 C SER A 25 9.727 10.227 5.188 1.00 0.00 C ATOM 417 O SER A 25 9.228 9.120 5.192 1.00 0.00 O ATOM 418 CB SER A 25 8.699 11.037 7.355 1.00 0.00 C ATOM 419 OG SER A 25 9.854 10.554 8.026 1.00 0.00 O ATOM 0 H SER A 25 6.956 11.291 5.656 1.00 0.00 H new ATOM 0 HA SER A 25 9.791 12.222 5.895 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.299 11.908 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.918 10.277 7.358 1.00 0.00 H new ATOM 0 HG SER A 25 9.870 10.903 8.942 1.00 0.00 H new ATOM 425 N CYS A 26 10.840 10.474 4.549 1.00 0.00 N ATOM 426 CA CYS A 26 11.541 9.391 3.792 1.00 0.00 C ATOM 427 C CYS A 26 11.755 8.150 4.664 1.00 0.00 C ATOM 428 O CYS A 26 11.013 7.193 4.581 1.00 0.00 O ATOM 429 CB CYS A 26 12.886 9.998 3.392 1.00 0.00 C ATOM 430 SG CYS A 26 12.621 11.293 2.156 1.00 0.00 S ATOM 0 H CYS A 26 11.298 11.385 4.518 1.00 0.00 H new ATOM 0 HA CYS A 26 10.958 9.062 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.384 10.413 4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.540 9.225 2.989 1.00 0.00 H new ATOM 0 HG CYS A 26 12.344 10.748 1.009 1.00 0.00 H new ATOM 436 N GLN A 27 12.772 8.157 5.486 1.00 0.00 N ATOM 437 CA GLN A 27 13.046 6.973 6.358 1.00 0.00 C ATOM 438 C GLN A 27 11.733 6.390 6.882 1.00 0.00 C ATOM 439 O GLN A 27 11.559 5.191 6.969 1.00 0.00 O ATOM 440 CB GLN A 27 13.889 7.517 7.511 1.00 0.00 C ATOM 441 CG GLN A 27 14.156 6.400 8.522 1.00 0.00 C ATOM 442 CD GLN A 27 14.993 6.947 9.680 1.00 0.00 C ATOM 443 OE1 GLN A 27 16.206 6.958 9.616 1.00 0.00 O ATOM 444 NE2 GLN A 27 14.391 7.406 10.743 1.00 0.00 N ATOM 0 H GLN A 27 13.426 8.932 5.592 1.00 0.00 H new ATOM 0 HA GLN A 27 13.557 6.174 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.832 7.911 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.370 8.344 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.213 6.002 8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.680 5.575 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.372 7.397 10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.939 7.774 11.520 1.00 0.00 H new ATOM 453 N GLU A 28 10.808 7.238 7.221 1.00 0.00 N ATOM 454 CA GLU A 28 9.493 6.760 7.731 1.00 0.00 C ATOM 455 C GLU A 28 8.791 5.896 6.680 1.00 0.00 C ATOM 456 O GLU A 28 8.479 4.745 6.915 1.00 0.00 O ATOM 457 CB GLU A 28 8.714 8.044 7.987 1.00 0.00 C ATOM 458 CG GLU A 28 9.028 8.559 9.393 1.00 0.00 C ATOM 459 CD GLU A 28 8.027 9.649 9.775 1.00 0.00 C ATOM 460 OE1 GLU A 28 6.841 9.364 9.774 1.00 0.00 O ATOM 461 OE2 GLU A 28 8.463 10.752 10.064 1.00 0.00 O ATOM 0 H GLU A 28 10.905 8.252 7.167 1.00 0.00 H new ATOM 0 HA GLU A 28 9.583 6.139 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.979 8.797 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.644 7.859 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.980 7.740 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.043 8.955 9.428 1.00 0.00 H new ATOM 468 N VAL A 29 8.537 6.444 5.524 1.00 0.00 N ATOM 469 CA VAL A 29 7.850 5.659 4.458 1.00 0.00 C ATOM 470 C VAL A 29 8.446 4.251 4.360 1.00 0.00 C ATOM 471 O VAL A 29 7.737 3.265 4.368 1.00 0.00 O ATOM 472 CB VAL A 29 8.105 6.438 3.169 1.00 0.00 C ATOM 473 CG1 VAL A 29 7.699 5.581 1.969 1.00 0.00 C ATOM 474 CG2 VAL A 29 7.280 7.725 3.180 1.00 0.00 C ATOM 0 H VAL A 29 8.776 7.403 5.270 1.00 0.00 H new ATOM 0 HA VAL A 29 6.786 5.536 4.660 1.00 0.00 H new ATOM 0 HB VAL A 29 9.164 6.687 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.880 6.135 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.287 4.663 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.640 5.333 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.462 8.281 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.221 7.478 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.569 8.335 4.036 1.00 0.00 H new ATOM 484 N LEU A 30 9.744 4.152 4.261 1.00 0.00 N ATOM 485 CA LEU A 30 10.382 2.808 4.156 1.00 0.00 C ATOM 486 C LEU A 30 10.243 2.043 5.476 1.00 0.00 C ATOM 487 O LEU A 30 9.774 0.923 5.507 1.00 0.00 O ATOM 488 CB LEU A 30 11.853 3.092 3.852 1.00 0.00 C ATOM 489 CG LEU A 30 12.005 3.515 2.389 1.00 0.00 C ATOM 490 CD1 LEU A 30 11.271 4.836 2.154 1.00 0.00 C ATOM 491 CD2 LEU A 30 13.488 3.695 2.066 1.00 0.00 C ATOM 0 H LEU A 30 10.389 4.942 4.248 1.00 0.00 H new ATOM 0 HA LEU A 30 9.917 2.192 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.225 3.879 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.453 2.203 4.048 1.00 0.00 H new ATOM 0 HG LEU A 30 11.579 2.746 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.382 5.133 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.213 4.711 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.694 5.607 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.600 3.996 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.911 4.463 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.013 2.754 2.230 1.00 0.00 H new ATOM 503 N ARG A 31 10.652 2.633 6.565 1.00 0.00 N ATOM 504 CA ARG A 31 10.544 1.931 7.876 1.00 0.00 C ATOM 505 C ARG A 31 9.180 1.247 8.002 1.00 0.00 C ATOM 506 O ARG A 31 9.052 0.203 8.610 1.00 0.00 O ATOM 507 CB ARG A 31 10.695 3.026 8.933 1.00 0.00 C ATOM 508 CG ARG A 31 10.658 2.395 10.325 1.00 0.00 C ATOM 509 CD ARG A 31 10.836 3.481 11.388 1.00 0.00 C ATOM 510 NE ARG A 31 11.064 2.737 12.659 1.00 0.00 N ATOM 511 CZ ARG A 31 11.225 3.387 13.781 1.00 0.00 C ATOM 512 NH1 ARG A 31 11.187 4.692 13.796 1.00 0.00 N ATOM 513 NH2 ARG A 31 11.424 2.728 14.890 1.00 0.00 N ATOM 0 H ARG A 31 11.056 3.569 6.605 1.00 0.00 H new ATOM 0 HA ARG A 31 11.300 1.154 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.634 3.560 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.894 3.758 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.711 1.877 10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.447 1.649 10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.680 4.130 11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.953 4.117 11.455 1.00 0.00 H new ATOM 0 HE ARG A 31 11.094 1.717 12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.031 5.208 12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.313 5.196 14.674 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.454 1.708 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.550 3.233 15.767 1.00 0.00 H new ATOM 527 N LYS A 32 8.159 1.826 7.431 1.00 0.00 N ATOM 528 CA LYS A 32 6.806 1.205 7.519 1.00 0.00 C ATOM 529 C LYS A 32 6.698 0.036 6.536 1.00 0.00 C ATOM 530 O LYS A 32 6.788 -1.115 6.916 1.00 0.00 O ATOM 531 CB LYS A 32 5.831 2.321 7.138 1.00 0.00 C ATOM 532 CG LYS A 32 5.704 3.305 8.302 1.00 0.00 C ATOM 533 CD LYS A 32 4.442 4.150 8.121 1.00 0.00 C ATOM 534 CE LYS A 32 4.707 5.577 8.606 1.00 0.00 C ATOM 535 NZ LYS A 32 3.409 6.287 8.438 1.00 0.00 N ATOM 0 H LYS A 32 8.203 2.701 6.908 1.00 0.00 H new ATOM 0 HA LYS A 32 6.598 0.806 8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.185 2.839 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.855 1.899 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.659 2.763 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.582 3.949 8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.146 4.161 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.615 3.712 8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.031 5.587 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.496 6.052 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.537 7.099 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.707 5.636 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.075 6.623 9.364 1.00 0.00 H new ATOM 549 N GLY A 33 6.507 0.321 5.278 1.00 0.00 N ATOM 550 CA GLY A 33 6.396 -0.776 4.276 1.00 0.00 C ATOM 551 C GLY A 33 7.563 -1.751 4.451 1.00 0.00 C ATOM 552 O GLY A 33 7.371 -2.941 4.607 1.00 0.00 O ATOM 0 H GLY A 33 6.423 1.265 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.449 -1.301 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.402 -0.363 3.267 1.00 0.00 H new ATOM 556 N CYS A 34 8.770 -1.257 4.424 1.00 0.00 N ATOM 557 CA CYS A 34 9.951 -2.156 4.587 1.00 0.00 C ATOM 558 C CYS A 34 9.733 -3.118 5.758 1.00 0.00 C ATOM 559 O CYS A 34 9.835 -4.319 5.613 1.00 0.00 O ATOM 560 CB CYS A 34 11.124 -1.221 4.877 1.00 0.00 C ATOM 561 SG CYS A 34 12.674 -2.149 4.764 1.00 0.00 S ATOM 0 H CYS A 34 8.991 -0.270 4.296 1.00 0.00 H new ATOM 0 HA CYS A 34 10.124 -2.769 3.702 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.129 -0.395 4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.019 -0.786 5.871 1.00 0.00 H new ATOM 0 HG CYS A 34 13.674 -1.355 5.008 1.00 0.00 H new ATOM 567 N LEU A 35 9.433 -2.600 6.917 1.00 0.00 N ATOM 568 CA LEU A 35 9.212 -3.488 8.093 1.00 0.00 C ATOM 569 C LEU A 35 8.060 -4.455 7.812 1.00 0.00 C ATOM 570 O LEU A 35 8.060 -5.583 8.264 1.00 0.00 O ATOM 571 CB LEU A 35 8.857 -2.547 9.245 1.00 0.00 C ATOM 572 CG LEU A 35 10.123 -1.845 9.738 1.00 0.00 C ATOM 573 CD1 LEU A 35 9.764 -0.875 10.864 1.00 0.00 C ATOM 574 CD2 LEU A 35 11.109 -2.891 10.264 1.00 0.00 C ATOM 0 H LEU A 35 9.331 -1.602 7.101 1.00 0.00 H new ATOM 0 HA LEU A 35 10.088 -4.094 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.125 -1.810 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.399 -3.108 10.059 1.00 0.00 H new ATOM 0 HG LEU A 35 10.578 -1.293 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.667 -0.375 11.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.058 -0.132 10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.311 -1.426 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.013 -2.394 10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.652 -3.440 11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.365 -3.585 9.463 1.00 0.00 H new ATOM 586 N ARG A 36 7.081 -4.027 7.064 1.00 0.00 N ATOM 587 CA ARG A 36 5.936 -4.928 6.751 1.00 0.00 C ATOM 588 C ARG A 36 6.439 -6.170 6.012 1.00 0.00 C ATOM 589 O ARG A 36 5.979 -7.271 6.240 1.00 0.00 O ATOM 590 CB ARG A 36 5.017 -4.104 5.850 1.00 0.00 C ATOM 591 CG ARG A 36 3.732 -4.888 5.581 1.00 0.00 C ATOM 592 CD ARG A 36 2.527 -4.074 6.059 1.00 0.00 C ATOM 593 NE ARG A 36 1.351 -4.958 5.826 1.00 0.00 N ATOM 594 CZ ARG A 36 1.142 -5.990 6.600 1.00 0.00 C ATOM 595 NH1 ARG A 36 1.963 -6.252 7.581 1.00 0.00 N ATOM 596 NH2 ARG A 36 0.109 -6.760 6.391 1.00 0.00 N ATOM 0 H ARG A 36 7.024 -3.094 6.656 1.00 0.00 H new ATOM 0 HA ARG A 36 5.421 -5.273 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.782 -3.152 6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.520 -3.876 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.640 -5.102 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.764 -5.847 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.621 -3.811 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.436 -3.140 5.504 1.00 0.00 H new ATOM 0 HE ARG A 36 0.707 -4.757 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.770 -5.650 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.797 -7.058 8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.533 -6.556 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.056 -7.566 6.994 1.00 0.00 H new ATOM 610 N PHE A 37 7.386 -6.000 5.130 1.00 0.00 N ATOM 611 CA PHE A 37 7.924 -7.161 4.377 1.00 0.00 C ATOM 612 C PHE A 37 8.772 -8.039 5.302 1.00 0.00 C ATOM 613 O PHE A 37 9.210 -9.109 4.929 1.00 0.00 O ATOM 614 CB PHE A 37 8.789 -6.532 3.289 1.00 0.00 C ATOM 615 CG PHE A 37 7.912 -6.061 2.152 1.00 0.00 C ATOM 616 CD1 PHE A 37 6.885 -6.883 1.672 1.00 0.00 C ATOM 617 CD2 PHE A 37 8.125 -4.801 1.579 1.00 0.00 C ATOM 618 CE1 PHE A 37 6.074 -6.446 0.618 1.00 0.00 C ATOM 619 CE2 PHE A 37 7.314 -4.364 0.526 1.00 0.00 C ATOM 620 CZ PHE A 37 6.287 -5.186 0.046 1.00 0.00 C ATOM 0 H PHE A 37 7.810 -5.101 4.900 1.00 0.00 H new ATOM 0 HA PHE A 37 7.143 -7.801 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.353 -5.694 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.516 -7.257 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.719 -7.854 2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.916 -4.166 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.284 -7.081 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.480 -3.393 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.659 -4.848 -0.765 1.00 0.00 H new ATOM 630 N GLN A 38 9.007 -7.593 6.506 1.00 0.00 N ATOM 631 CA GLN A 38 9.825 -8.399 7.456 1.00 0.00 C ATOM 632 C GLN A 38 11.194 -8.710 6.841 1.00 0.00 C ATOM 633 O GLN A 38 11.514 -9.846 6.557 1.00 0.00 O ATOM 634 CB GLN A 38 9.027 -9.684 7.672 1.00 0.00 C ATOM 635 CG GLN A 38 7.614 -9.333 8.142 1.00 0.00 C ATOM 636 CD GLN A 38 7.684 -8.655 9.512 1.00 0.00 C ATOM 637 OE1 GLN A 38 7.580 -7.449 9.611 1.00 0.00 O ATOM 638 NE2 GLN A 38 7.857 -9.384 10.580 1.00 0.00 N ATOM 0 H GLN A 38 8.667 -6.704 6.873 1.00 0.00 H new ATOM 0 HA GLN A 38 10.011 -7.874 8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.982 -10.257 6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.522 -10.313 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.134 -8.671 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.005 -10.235 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.944 -10.397 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.905 -8.941 11.498 1.00 0.00 H new ATOM 647 N LEU A 39 12.003 -7.705 6.637 1.00 0.00 N ATOM 648 CA LEU A 39 13.351 -7.940 6.042 1.00 0.00 C ATOM 649 C LEU A 39 14.432 -7.226 6.860 1.00 0.00 C ATOM 650 O LEU A 39 14.391 -6.023 7.023 1.00 0.00 O ATOM 651 CB LEU A 39 13.272 -7.345 4.637 1.00 0.00 C ATOM 652 CG LEU A 39 12.479 -8.283 3.726 1.00 0.00 C ATOM 653 CD1 LEU A 39 12.185 -7.579 2.401 1.00 0.00 C ATOM 654 CD2 LEU A 39 13.306 -9.544 3.459 1.00 0.00 C ATOM 0 H LEU A 39 11.789 -6.732 6.856 1.00 0.00 H new ATOM 0 HA LEU A 39 13.612 -8.998 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.794 -6.366 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.275 -7.196 4.237 1.00 0.00 H new ATOM 0 HG LEU A 39 11.540 -8.554 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.620 -8.247 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.602 -6.677 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.123 -7.310 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.745 -10.216 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 39 14.243 -9.269 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.520 -10.046 4.403 1.00 0.00 H new ATOM 666 N PRO A 40 15.372 -7.996 7.340 1.00 0.00 N ATOM 667 CA PRO A 40 16.482 -7.428 8.139 1.00 0.00 C ATOM 668 C PRO A 40 17.474 -6.705 7.223 1.00 0.00 C ATOM 669 O PRO A 40 17.346 -6.727 6.015 1.00 0.00 O ATOM 670 CB PRO A 40 17.127 -8.653 8.779 1.00 0.00 C ATOM 671 CG PRO A 40 16.786 -9.793 7.871 1.00 0.00 C ATOM 672 CD PRO A 40 15.487 -9.450 7.187 1.00 0.00 C ATOM 0 HA PRO A 40 16.153 -6.695 8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.206 -8.529 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 40 16.742 -8.821 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.577 -9.949 7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.689 -10.719 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.502 -9.740 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.645 -9.967 7.648 1.00 0.00 H new ATOM 680 N GLU A 41 18.460 -6.063 7.786 1.00 0.00 N ATOM 681 CA GLU A 41 19.456 -5.340 6.942 1.00 0.00 C ATOM 682 C GLU A 41 20.407 -6.337 6.275 1.00 0.00 C ATOM 683 O GLU A 41 20.238 -6.700 5.128 1.00 0.00 O ATOM 684 CB GLU A 41 20.221 -4.443 7.913 1.00 0.00 C ATOM 685 CG GLU A 41 21.463 -3.881 7.219 1.00 0.00 C ATOM 686 CD GLU A 41 21.613 -2.398 7.562 1.00 0.00 C ATOM 687 OE1 GLU A 41 20.598 -1.743 7.728 1.00 0.00 O ATOM 688 OE2 GLU A 41 22.742 -1.943 7.651 1.00 0.00 O ATOM 0 H GLU A 41 18.620 -6.007 8.792 1.00 0.00 H new ATOM 0 HA GLU A 41 18.982 -4.768 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.581 -3.628 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.511 -5.011 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 41 22.350 -4.430 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.379 -4.009 6.140 1.00 0.00 H new ATOM 695 N ARG A 42 21.407 -6.779 6.983 1.00 0.00 N ATOM 696 CA ARG A 42 22.369 -7.751 6.390 1.00 0.00 C ATOM 697 C ARG A 42 21.616 -8.893 5.701 1.00 0.00 C ATOM 698 O ARG A 42 21.951 -9.298 4.606 1.00 0.00 O ATOM 699 CB ARG A 42 23.180 -8.277 7.575 1.00 0.00 C ATOM 700 CG ARG A 42 24.286 -9.206 7.066 1.00 0.00 C ATOM 701 CD ARG A 42 25.203 -9.596 8.229 1.00 0.00 C ATOM 702 NE ARG A 42 25.383 -11.068 8.099 1.00 0.00 N ATOM 703 CZ ARG A 42 24.436 -11.882 8.480 1.00 0.00 C ATOM 704 NH1 ARG A 42 23.324 -11.409 8.978 1.00 0.00 N ATOM 705 NH2 ARG A 42 24.599 -13.171 8.364 1.00 0.00 N ATOM 0 H ARG A 42 21.601 -6.510 7.948 1.00 0.00 H new ATOM 0 HA ARG A 42 23.005 -7.293 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.615 -7.445 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.529 -8.814 8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 42 23.848 -10.099 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 42 24.862 -8.709 6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.158 -9.075 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.756 -9.336 9.189 1.00 0.00 H new ATOM 0 HE ARG A 42 26.249 -11.442 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 42 23.194 -10.401 9.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.586 -12.047 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.466 -13.543 7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.859 -13.807 8.662 1.00 0.00 H new ATOM 719 N GLY A 43 20.603 -9.417 6.335 1.00 0.00 N ATOM 720 CA GLY A 43 19.833 -10.536 5.717 1.00 0.00 C ATOM 721 C GLY A 43 19.120 -10.044 4.454 1.00 0.00 C ATOM 722 O GLY A 43 19.141 -10.694 3.428 1.00 0.00 O ATOM 0 H GLY A 43 20.275 -9.120 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.505 -11.358 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.104 -10.924 6.429 1.00 0.00 H new ATOM 726 N SER A 44 18.486 -8.904 4.518 1.00 0.00 N ATOM 727 CA SER A 44 17.771 -8.383 3.316 1.00 0.00 C ATOM 728 C SER A 44 18.214 -6.951 3.010 1.00 0.00 C ATOM 729 O SER A 44 18.353 -6.130 3.895 1.00 0.00 O ATOM 730 CB SER A 44 16.290 -8.416 3.687 1.00 0.00 C ATOM 731 OG SER A 44 15.538 -7.772 2.667 1.00 0.00 O ATOM 0 H SER A 44 18.432 -8.312 5.347 1.00 0.00 H new ATOM 0 HA SER A 44 17.982 -8.976 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.956 -9.447 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.131 -7.917 4.643 1.00 0.00 H new ATOM 0 HG SER A 44 15.550 -6.803 2.814 1.00 0.00 H new ATOM 737 N ARG A 45 18.434 -6.643 1.762 1.00 0.00 N ATOM 738 CA ARG A 45 18.864 -5.263 1.399 1.00 0.00 C ATOM 739 C ARG A 45 17.796 -4.585 0.538 1.00 0.00 C ATOM 740 O ARG A 45 17.250 -5.179 -0.371 1.00 0.00 O ATOM 741 CB ARG A 45 20.157 -5.449 0.603 1.00 0.00 C ATOM 742 CG ARG A 45 20.844 -4.093 0.422 1.00 0.00 C ATOM 743 CD ARG A 45 21.857 -4.182 -0.722 1.00 0.00 C ATOM 744 NE ARG A 45 23.003 -3.338 -0.289 1.00 0.00 N ATOM 745 CZ ARG A 45 23.863 -2.896 -1.168 1.00 0.00 C ATOM 746 NH1 ARG A 45 23.719 -3.193 -2.431 1.00 0.00 N ATOM 747 NH2 ARG A 45 24.866 -2.155 -0.783 1.00 0.00 N ATOM 0 H ARG A 45 18.335 -7.287 0.977 1.00 0.00 H new ATOM 0 HA ARG A 45 19.011 -4.632 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 45 20.821 -6.139 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.938 -5.890 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 45 20.103 -3.324 0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 45 21.346 -3.802 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.169 -5.212 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.430 -3.818 -1.656 1.00 0.00 H new ATOM 0 HE ARG A 45 23.118 -3.104 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.934 -3.771 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.391 -2.847 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.978 -1.921 0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.538 -1.810 -1.469 1.00 0.00 H new ATOM 761 N LEU A 46 17.495 -3.347 0.816 1.00 0.00 N ATOM 762 CA LEU A 46 16.462 -2.634 0.011 1.00 0.00 C ATOM 763 C LEU A 46 17.129 -1.863 -1.132 1.00 0.00 C ATOM 764 O LEU A 46 18.123 -1.191 -0.942 1.00 0.00 O ATOM 765 CB LEU A 46 15.794 -1.674 0.998 1.00 0.00 C ATOM 766 CG LEU A 46 14.603 -0.990 0.327 1.00 0.00 C ATOM 767 CD1 LEU A 46 15.113 0.047 -0.675 1.00 0.00 C ATOM 768 CD2 LEU A 46 13.755 -2.034 -0.403 1.00 0.00 C ATOM 0 H LEU A 46 17.918 -2.798 1.564 1.00 0.00 H new ATOM 0 HA LEU A 46 15.742 -3.313 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.462 -2.219 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.512 -0.927 1.335 1.00 0.00 H new ATOM 0 HG LEU A 46 13.993 -0.497 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.266 0.536 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.714 0.792 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.723 -0.447 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.906 -1.544 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.361 -2.530 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.392 -2.773 0.312 1.00 0.00 H new ATOM 780 N CYS A 47 16.592 -1.955 -2.321 1.00 0.00 N ATOM 781 CA CYS A 47 17.201 -1.229 -3.474 1.00 0.00 C ATOM 782 C CYS A 47 16.107 -0.716 -4.418 1.00 0.00 C ATOM 783 O CYS A 47 14.937 -0.977 -4.227 1.00 0.00 O ATOM 784 CB CYS A 47 18.081 -2.261 -4.184 1.00 0.00 C ATOM 785 SG CYS A 47 19.082 -3.151 -2.967 1.00 0.00 S ATOM 0 H CYS A 47 15.759 -2.501 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 47 17.776 -0.361 -3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.459 -2.962 -4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.728 -1.765 -4.908 1.00 0.00 H new ATOM 0 HG CYS A 47 19.289 -2.389 -1.934 1.00 0.00 H new ATOM 791 N LEU A 48 16.480 0.019 -5.432 1.00 0.00 N ATOM 792 CA LEU A 48 15.463 0.554 -6.385 1.00 0.00 C ATOM 793 C LEU A 48 15.064 -0.517 -7.406 1.00 0.00 C ATOM 794 O LEU A 48 15.558 -1.627 -7.383 1.00 0.00 O ATOM 795 CB LEU A 48 16.152 1.729 -7.082 1.00 0.00 C ATOM 796 CG LEU A 48 16.693 2.703 -6.035 1.00 0.00 C ATOM 797 CD1 LEU A 48 17.914 3.431 -6.600 1.00 0.00 C ATOM 798 CD2 LEU A 48 15.609 3.725 -5.684 1.00 0.00 C ATOM 0 H LEU A 48 17.446 0.272 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 48 14.548 0.858 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.966 1.366 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.447 2.240 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 48 16.980 2.153 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.301 4.126 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.686 2.704 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.627 3.982 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.993 4.420 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.324 4.276 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.737 3.208 -5.284 1.00 0.00 H new ATOM 810 N TYR A 49 14.169 -0.190 -8.300 1.00 0.00 N ATOM 811 CA TYR A 49 13.731 -1.186 -9.325 1.00 0.00 C ATOM 812 C TYR A 49 14.611 -1.091 -10.575 1.00 0.00 C ATOM 813 O TYR A 49 15.286 -2.032 -10.944 1.00 0.00 O ATOM 814 CB TYR A 49 12.288 -0.798 -9.657 1.00 0.00 C ATOM 815 CG TYR A 49 11.659 -1.862 -10.526 1.00 0.00 C ATOM 816 CD1 TYR A 49 12.154 -2.099 -11.815 1.00 0.00 C ATOM 817 CD2 TYR A 49 10.580 -2.612 -10.044 1.00 0.00 C ATOM 818 CE1 TYR A 49 11.569 -3.085 -12.620 1.00 0.00 C ATOM 819 CE2 TYR A 49 9.995 -3.597 -10.848 1.00 0.00 C ATOM 820 CZ TYR A 49 10.490 -3.833 -12.136 1.00 0.00 C ATOM 821 OH TYR A 49 9.913 -4.805 -12.930 1.00 0.00 O ATOM 0 H TYR A 49 13.721 0.724 -8.366 1.00 0.00 H new ATOM 0 HA TYR A 49 13.809 -2.211 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.713 -0.679 -8.739 1.00 0.00 H new ATOM 0 HB3 TYR A 49 12.269 0.163 -10.172 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.987 -1.521 -12.188 1.00 0.00 H new ATOM 0 HD2 TYR A 49 10.198 -2.430 -9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.951 -3.268 -13.614 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.162 -4.175 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 49 9.177 -5.231 -12.443 1.00 0.00 H new ATOM 831 N GLU A 50 14.603 0.037 -11.233 1.00 0.00 N ATOM 832 CA GLU A 50 15.432 0.192 -12.464 1.00 0.00 C ATOM 833 C GLU A 50 16.871 -0.257 -12.201 1.00 0.00 C ATOM 834 O GLU A 50 17.344 -1.223 -12.766 1.00 0.00 O ATOM 835 CB GLU A 50 15.387 1.687 -12.779 1.00 0.00 C ATOM 836 CG GLU A 50 15.680 1.908 -14.264 1.00 0.00 C ATOM 837 CD GLU A 50 14.641 2.866 -14.852 1.00 0.00 C ATOM 838 OE1 GLU A 50 14.424 3.908 -14.257 1.00 0.00 O ATOM 839 OE2 GLU A 50 14.081 2.539 -15.885 1.00 0.00 O ATOM 0 H GLU A 50 14.058 0.859 -10.971 1.00 0.00 H new ATOM 0 HA GLU A 50 15.061 -0.415 -13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.407 2.093 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.118 2.219 -12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.682 2.319 -14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.656 0.957 -14.796 1.00 0.00 H new ATOM 846 N ASP A 51 17.572 0.437 -11.347 1.00 0.00 N ATOM 847 CA ASP A 51 18.980 0.050 -11.050 1.00 0.00 C ATOM 848 C ASP A 51 19.015 -0.985 -9.922 1.00 0.00 C ATOM 849 O ASP A 51 19.625 -2.029 -10.041 1.00 0.00 O ATOM 850 CB ASP A 51 19.660 1.346 -10.610 1.00 0.00 C ATOM 851 CG ASP A 51 20.111 2.130 -11.844 1.00 0.00 C ATOM 852 OD1 ASP A 51 20.980 1.641 -12.547 1.00 0.00 O ATOM 853 OD2 ASP A 51 19.580 3.206 -12.064 1.00 0.00 O ATOM 0 H ASP A 51 17.231 1.255 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 51 19.477 -0.400 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.971 1.947 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.517 1.122 -9.975 1.00 0.00 H new ATOM 858 N GLY A 52 18.363 -0.702 -8.829 1.00 0.00 N ATOM 859 CA GLY A 52 18.353 -1.665 -7.693 1.00 0.00 C ATOM 860 C GLY A 52 19.767 -1.811 -7.130 1.00 0.00 C ATOM 861 O GLY A 52 20.037 -2.683 -6.328 1.00 0.00 O ATOM 0 H GLY A 52 17.835 0.157 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.675 -1.316 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.983 -2.634 -8.028 1.00 0.00 H new ATOM 865 N THR A 53 20.675 -0.969 -7.544 1.00 0.00 N ATOM 866 CA THR A 53 22.071 -1.076 -7.026 1.00 0.00 C ATOM 867 C THR A 53 22.104 -0.904 -5.498 1.00 0.00 C ATOM 868 O THR A 53 22.252 -1.865 -4.770 1.00 0.00 O ATOM 869 CB THR A 53 22.868 0.028 -7.740 1.00 0.00 C ATOM 870 OG1 THR A 53 24.087 0.250 -7.047 1.00 0.00 O ATOM 871 CG2 THR A 53 22.062 1.329 -7.800 1.00 0.00 C ATOM 0 H THR A 53 20.513 -0.217 -8.214 1.00 0.00 H new ATOM 0 HA THR A 53 22.501 -2.058 -7.224 1.00 0.00 H new ATOM 0 HB THR A 53 23.076 -0.294 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.598 0.952 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.646 2.096 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 53 21.134 1.157 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.832 1.661 -6.788 1.00 0.00 H new ATOM 879 N GLU A 54 21.969 0.296 -4.996 1.00 0.00 N ATOM 880 CA GLU A 54 21.997 0.485 -3.517 1.00 0.00 C ATOM 881 C GLU A 54 20.978 1.545 -3.091 1.00 0.00 C ATOM 882 O GLU A 54 20.797 2.548 -3.752 1.00 0.00 O ATOM 883 CB GLU A 54 23.420 0.949 -3.203 1.00 0.00 C ATOM 884 CG GLU A 54 23.647 2.343 -3.791 1.00 0.00 C ATOM 885 CD GLU A 54 24.970 2.907 -3.269 1.00 0.00 C ATOM 886 OE1 GLU A 54 25.115 3.003 -2.062 1.00 0.00 O ATOM 887 OE2 GLU A 54 25.816 3.232 -4.086 1.00 0.00 O ATOM 0 H GLU A 54 21.841 1.148 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 54 21.738 -0.429 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 54 23.577 0.968 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 54 24.142 0.246 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.665 2.292 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.824 3.003 -3.517 1.00 0.00 H new ATOM 894 N LEU A 55 20.315 1.334 -1.987 1.00 0.00 N ATOM 895 CA LEU A 55 19.312 2.331 -1.513 1.00 0.00 C ATOM 896 C LEU A 55 19.395 2.475 0.010 1.00 0.00 C ATOM 897 O LEU A 55 19.092 1.556 0.746 1.00 0.00 O ATOM 898 CB LEU A 55 17.956 1.761 -1.927 1.00 0.00 C ATOM 899 CG LEU A 55 16.882 2.839 -1.780 1.00 0.00 C ATOM 900 CD1 LEU A 55 16.682 3.163 -0.299 1.00 0.00 C ATOM 901 CD2 LEU A 55 17.324 4.103 -2.522 1.00 0.00 C ATOM 0 H LEU A 55 20.424 0.513 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 55 19.480 3.321 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 17.996 1.412 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.708 0.899 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 55 15.945 2.477 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.916 3.932 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.368 2.264 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.619 3.525 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 55 16.559 4.872 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.262 4.464 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.467 3.874 -3.578 1.00 0.00 H new ATOM 913 N THR A 56 19.803 3.619 0.489 1.00 0.00 N ATOM 914 CA THR A 56 19.904 3.813 1.964 1.00 0.00 C ATOM 915 C THR A 56 18.585 4.356 2.520 1.00 0.00 C ATOM 916 O THR A 56 18.032 5.312 2.011 1.00 0.00 O ATOM 917 CB THR A 56 21.029 4.832 2.155 1.00 0.00 C ATOM 918 OG1 THR A 56 21.109 5.196 3.525 1.00 0.00 O ATOM 919 CG2 THR A 56 20.746 6.074 1.309 1.00 0.00 C ATOM 0 H THR A 56 20.070 4.426 -0.075 1.00 0.00 H new ATOM 0 HA THR A 56 20.107 2.880 2.489 1.00 0.00 H new ATOM 0 HB THR A 56 21.975 4.391 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.831 5.847 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.549 6.799 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.688 5.792 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 56 19.800 6.518 1.619 1.00 0.00 H new ATOM 927 N GLU A 57 18.076 3.754 3.561 1.00 0.00 N ATOM 928 CA GLU A 57 16.793 4.234 4.150 1.00 0.00 C ATOM 929 C GLU A 57 16.900 5.716 4.522 1.00 0.00 C ATOM 930 O GLU A 57 15.910 6.411 4.628 1.00 0.00 O ATOM 931 CB GLU A 57 16.590 3.383 5.404 1.00 0.00 C ATOM 932 CG GLU A 57 16.356 1.926 5.002 1.00 0.00 C ATOM 933 CD GLU A 57 15.804 1.150 6.199 1.00 0.00 C ATOM 934 OE1 GLU A 57 14.634 1.322 6.503 1.00 0.00 O ATOM 935 OE2 GLU A 57 16.559 0.398 6.793 1.00 0.00 O ATOM 0 H GLU A 57 18.494 2.950 4.029 1.00 0.00 H new ATOM 0 HA GLU A 57 15.960 4.141 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.464 3.457 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.739 3.755 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.656 1.875 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.289 1.477 4.663 1.00 0.00 H new ATOM 942 N ASP A 58 18.093 6.202 4.724 1.00 0.00 N ATOM 943 CA ASP A 58 18.262 7.637 5.093 1.00 0.00 C ATOM 944 C ASP A 58 17.467 8.531 4.136 1.00 0.00 C ATOM 945 O ASP A 58 16.473 9.122 4.507 1.00 0.00 O ATOM 946 CB ASP A 58 19.761 7.907 4.963 1.00 0.00 C ATOM 947 CG ASP A 58 20.094 9.256 5.601 1.00 0.00 C ATOM 948 OD1 ASP A 58 19.896 9.387 6.798 1.00 0.00 O ATOM 949 OD2 ASP A 58 20.541 10.135 4.883 1.00 0.00 O ATOM 0 H ASP A 58 18.959 5.668 4.650 1.00 0.00 H new ATOM 0 HA ASP A 58 17.896 7.849 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.328 7.113 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.051 7.908 3.912 1.00 0.00 H new ATOM 954 N TYR A 59 17.898 8.636 2.908 1.00 0.00 N ATOM 955 CA TYR A 59 17.164 9.494 1.934 1.00 0.00 C ATOM 956 C TYR A 59 17.022 8.770 0.591 1.00 0.00 C ATOM 957 O TYR A 59 17.577 7.709 0.384 1.00 0.00 O ATOM 958 CB TYR A 59 18.028 10.746 1.781 1.00 0.00 C ATOM 959 CG TYR A 59 17.344 11.720 0.853 1.00 0.00 C ATOM 960 CD1 TYR A 59 16.105 12.269 1.203 1.00 0.00 C ATOM 961 CD2 TYR A 59 17.948 12.072 -0.361 1.00 0.00 C ATOM 962 CE1 TYR A 59 15.471 13.172 0.342 1.00 0.00 C ATOM 963 CE2 TYR A 59 17.313 12.975 -1.222 1.00 0.00 C ATOM 964 CZ TYR A 59 16.074 13.524 -0.871 1.00 0.00 C ATOM 965 OH TYR A 59 15.449 14.414 -1.720 1.00 0.00 O ATOM 0 H TYR A 59 18.724 8.166 2.538 1.00 0.00 H new ATOM 0 HA TYR A 59 16.156 9.733 2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.192 11.209 2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.008 10.478 1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.638 11.996 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.903 11.647 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.516 13.597 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.779 13.248 -2.157 1.00 0.00 H new ATOM 0 HH TYR A 59 16.003 14.550 -2.517 1.00 0.00 H new ATOM 975 N PHE A 60 16.282 9.337 -0.323 1.00 0.00 N ATOM 976 CA PHE A 60 16.101 8.682 -1.651 1.00 0.00 C ATOM 977 C PHE A 60 17.204 9.128 -2.616 1.00 0.00 C ATOM 978 O PHE A 60 17.831 10.148 -2.415 1.00 0.00 O ATOM 979 CB PHE A 60 14.732 9.156 -2.141 1.00 0.00 C ATOM 980 CG PHE A 60 13.680 8.796 -1.119 1.00 0.00 C ATOM 981 CD1 PHE A 60 13.843 7.660 -0.316 1.00 0.00 C ATOM 982 CD2 PHE A 60 12.540 9.598 -0.974 1.00 0.00 C ATOM 983 CE1 PHE A 60 12.867 7.326 0.631 1.00 0.00 C ATOM 984 CE2 PHE A 60 11.565 9.263 -0.027 1.00 0.00 C ATOM 985 CZ PHE A 60 11.728 8.127 0.776 1.00 0.00 C ATOM 0 H PHE A 60 15.795 10.226 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 60 16.157 7.595 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 60 14.744 10.234 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.497 8.694 -3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.721 7.042 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.414 10.474 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 60 12.993 6.450 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.686 9.881 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.976 7.869 1.507 1.00 0.00 H new ATOM 995 N PRO A 61 17.406 8.335 -3.635 1.00 0.00 N ATOM 996 CA PRO A 61 18.447 8.642 -4.644 1.00 0.00 C ATOM 997 C PRO A 61 17.992 9.785 -5.558 1.00 0.00 C ATOM 998 O PRO A 61 17.715 9.588 -6.725 1.00 0.00 O ATOM 999 CB PRO A 61 18.581 7.340 -5.428 1.00 0.00 C ATOM 1000 CG PRO A 61 17.270 6.642 -5.255 1.00 0.00 C ATOM 1001 CD PRO A 61 16.688 7.092 -3.938 1.00 0.00 C ATOM 0 HA PRO A 61 19.388 8.967 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.788 7.534 -6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.403 6.734 -5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.595 6.885 -6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.407 5.561 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 61 15.614 7.261 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.839 6.344 -3.159 1.00 0.00 H new ATOM 1009 N SER A 62 17.922 10.979 -5.037 1.00 0.00 N ATOM 1010 CA SER A 62 17.494 12.136 -5.874 1.00 0.00 C ATOM 1011 C SER A 62 16.157 11.839 -6.562 1.00 0.00 C ATOM 1012 O SER A 62 15.824 12.427 -7.571 1.00 0.00 O ATOM 1013 CB SER A 62 18.605 12.305 -6.909 1.00 0.00 C ATOM 1014 OG SER A 62 18.363 13.479 -7.673 1.00 0.00 O ATOM 0 H SER A 62 18.143 11.204 -4.067 1.00 0.00 H new ATOM 0 HA SER A 62 17.345 13.038 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.573 12.374 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.644 11.434 -7.563 1.00 0.00 H new ATOM 0 HG SER A 62 17.415 13.520 -7.919 1.00 0.00 H new ATOM 1020 N VAL A 63 15.386 10.933 -6.023 1.00 0.00 N ATOM 1021 CA VAL A 63 14.071 10.608 -6.650 1.00 0.00 C ATOM 1022 C VAL A 63 12.933 10.890 -5.662 1.00 0.00 C ATOM 1023 O VAL A 63 12.408 9.986 -5.043 1.00 0.00 O ATOM 1024 CB VAL A 63 14.147 9.115 -6.979 1.00 0.00 C ATOM 1025 CG1 VAL A 63 14.234 8.304 -5.684 1.00 0.00 C ATOM 1026 CG2 VAL A 63 12.894 8.699 -7.753 1.00 0.00 C ATOM 0 H VAL A 63 15.608 10.405 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 63 13.874 11.208 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 63 15.033 8.925 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 63 14.288 7.242 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.126 8.597 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.350 8.495 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.947 7.636 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.010 8.892 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.831 9.272 -8.678 1.00 0.00 H new ATOM 1036 N PRO A 64 12.592 12.145 -5.552 1.00 0.00 N ATOM 1037 CA PRO A 64 11.507 12.564 -4.634 1.00 0.00 C ATOM 1038 C PRO A 64 10.134 12.284 -5.253 1.00 0.00 C ATOM 1039 O PRO A 64 9.247 11.764 -4.607 1.00 0.00 O ATOM 1040 CB PRO A 64 11.732 14.063 -4.478 1.00 0.00 C ATOM 1041 CG PRO A 64 12.461 14.489 -5.716 1.00 0.00 C ATOM 1042 CD PRO A 64 13.184 13.281 -6.264 1.00 0.00 C ATOM 0 HA PRO A 64 11.524 12.030 -3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.785 14.594 -4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.316 14.281 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.763 14.884 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.168 15.287 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.045 13.190 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 64 14.257 13.346 -6.085 1.00 0.00 H new ATOM 1050 N ASP A 65 9.952 12.633 -6.498 1.00 0.00 N ATOM 1051 CA ASP A 65 8.634 12.394 -7.156 1.00 0.00 C ATOM 1052 C ASP A 65 8.088 11.015 -6.776 1.00 0.00 C ATOM 1053 O ASP A 65 7.030 10.897 -6.189 1.00 0.00 O ATOM 1054 CB ASP A 65 8.923 12.459 -8.655 1.00 0.00 C ATOM 1055 CG ASP A 65 9.649 13.765 -8.980 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.860 13.800 -8.831 1.00 0.00 O ATOM 1057 OD2 ASP A 65 8.983 14.709 -9.371 1.00 0.00 O ATOM 0 H ASP A 65 10.658 13.073 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 65 7.885 13.125 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.533 11.607 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.992 12.399 -9.218 1.00 0.00 H new ATOM 1062 N ASN A 66 8.799 9.972 -7.102 1.00 0.00 N ATOM 1063 CA ASN A 66 8.317 8.604 -6.756 1.00 0.00 C ATOM 1064 C ASN A 66 9.483 7.725 -6.300 1.00 0.00 C ATOM 1065 O ASN A 66 10.606 7.890 -6.734 1.00 0.00 O ATOM 1066 CB ASN A 66 7.701 8.057 -8.044 1.00 0.00 C ATOM 1067 CG ASN A 66 8.622 8.366 -9.225 1.00 0.00 C ATOM 1068 OD1 ASN A 66 9.726 8.840 -9.044 1.00 0.00 O ATOM 1069 ND2 ASN A 66 8.212 8.114 -10.440 1.00 0.00 N ATOM 0 H ASN A 66 9.693 10.007 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 66 7.597 8.620 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.551 6.981 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.720 8.503 -8.208 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.819 8.315 -11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.285 7.716 -10.593 1.00 0.00 H new ATOM 1076 N ALA A 67 9.222 6.790 -5.430 1.00 0.00 N ATOM 1077 CA ALA A 67 10.310 5.895 -4.944 1.00 0.00 C ATOM 1078 C ALA A 67 9.873 4.432 -5.052 1.00 0.00 C ATOM 1079 O ALA A 67 9.426 3.835 -4.093 1.00 0.00 O ATOM 1080 CB ALA A 67 10.522 6.286 -3.481 1.00 0.00 C ATOM 0 H ALA A 67 8.300 6.606 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 67 11.224 5.999 -5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.311 5.669 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.809 7.336 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.597 6.132 -2.925 1.00 0.00 H new ATOM 1086 N GLU A 68 9.998 3.850 -6.213 1.00 0.00 N ATOM 1087 CA GLU A 68 9.590 2.425 -6.380 1.00 0.00 C ATOM 1088 C GLU A 68 10.723 1.500 -5.929 1.00 0.00 C ATOM 1089 O GLU A 68 11.471 0.979 -6.732 1.00 0.00 O ATOM 1090 CB GLU A 68 9.323 2.264 -7.877 1.00 0.00 C ATOM 1091 CG GLU A 68 8.389 3.380 -8.351 1.00 0.00 C ATOM 1092 CD GLU A 68 8.025 3.153 -9.819 1.00 0.00 C ATOM 1093 OE1 GLU A 68 8.767 3.616 -10.670 1.00 0.00 O ATOM 1094 OE2 GLU A 68 7.011 2.522 -10.067 1.00 0.00 O ATOM 0 H GLU A 68 10.364 4.298 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 68 8.715 2.169 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.261 2.301 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.874 1.291 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.486 3.397 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.873 4.349 -8.231 1.00 0.00 H new ATOM 1101 N LEU A 69 10.857 1.296 -4.646 1.00 0.00 N ATOM 1102 CA LEU A 69 11.945 0.412 -4.138 1.00 0.00 C ATOM 1103 C LEU A 69 11.474 -1.043 -4.080 1.00 0.00 C ATOM 1104 O LEU A 69 10.431 -1.349 -3.535 1.00 0.00 O ATOM 1105 CB LEU A 69 12.253 0.927 -2.730 1.00 0.00 C ATOM 1106 CG LEU A 69 13.063 2.224 -2.817 1.00 0.00 C ATOM 1107 CD1 LEU A 69 12.281 3.274 -3.606 1.00 0.00 C ATOM 1108 CD2 LEU A 69 13.328 2.749 -1.403 1.00 0.00 C ATOM 0 H LEU A 69 10.259 1.704 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 69 12.822 0.434 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.325 1.103 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.812 0.175 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 69 14.008 2.025 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.863 4.194 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.087 2.903 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.334 3.475 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.904 3.672 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.379 2.944 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.889 2.005 -0.838 1.00 0.00 H new ATOM 1120 N VAL A 70 12.239 -1.943 -4.633 1.00 0.00 N ATOM 1121 CA VAL A 70 11.845 -3.382 -4.604 1.00 0.00 C ATOM 1122 C VAL A 70 12.679 -4.128 -3.560 1.00 0.00 C ATOM 1123 O VAL A 70 13.879 -4.268 -3.697 1.00 0.00 O ATOM 1124 CB VAL A 70 12.148 -3.906 -6.008 1.00 0.00 C ATOM 1125 CG1 VAL A 70 11.450 -5.251 -6.212 1.00 0.00 C ATOM 1126 CG2 VAL A 70 11.637 -2.906 -7.048 1.00 0.00 C ATOM 0 H VAL A 70 13.121 -1.745 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 10.797 -3.522 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 70 13.225 -4.033 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.666 -5.625 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.812 -5.965 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.374 -5.124 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.853 -3.280 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.561 -2.779 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.133 -1.946 -6.904 1.00 0.00 H new ATOM 1136 N LEU A 71 12.058 -4.602 -2.515 1.00 0.00 N ATOM 1137 CA LEU A 71 12.823 -5.329 -1.464 1.00 0.00 C ATOM 1138 C LEU A 71 13.691 -6.416 -2.108 1.00 0.00 C ATOM 1139 O LEU A 71 13.233 -7.174 -2.939 1.00 0.00 O ATOM 1140 CB LEU A 71 11.756 -5.949 -0.558 1.00 0.00 C ATOM 1141 CG LEU A 71 11.152 -7.180 -1.230 1.00 0.00 C ATOM 1142 CD1 LEU A 71 12.051 -8.390 -0.968 1.00 0.00 C ATOM 1143 CD2 LEU A 71 9.763 -7.447 -0.646 1.00 0.00 C ATOM 0 H LEU A 71 11.056 -4.517 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 71 13.495 -4.676 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.197 -6.227 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.975 -5.218 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 71 11.070 -7.008 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.623 -9.271 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.044 -8.201 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.127 -8.561 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.330 -8.325 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.847 -7.622 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.122 -6.584 -0.824 1.00 0.00 H new ATOM 1155 N LEU A 72 14.940 -6.497 -1.735 1.00 0.00 N ATOM 1156 CA LEU A 72 15.826 -7.537 -2.336 1.00 0.00 C ATOM 1157 C LEU A 72 16.714 -8.168 -1.262 1.00 0.00 C ATOM 1158 O LEU A 72 17.481 -7.497 -0.601 1.00 0.00 O ATOM 1159 CB LEU A 72 16.678 -6.789 -3.364 1.00 0.00 C ATOM 1160 CG LEU A 72 17.863 -7.664 -3.784 1.00 0.00 C ATOM 1161 CD1 LEU A 72 17.806 -7.916 -5.292 1.00 0.00 C ATOM 1162 CD2 LEU A 72 19.171 -6.949 -3.439 1.00 0.00 C ATOM 0 H LEU A 72 15.384 -5.892 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 72 15.256 -8.348 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.074 -6.534 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.038 -5.851 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 72 17.815 -8.616 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.650 -8.539 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.875 -8.424 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.853 -6.965 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 72 20.015 -7.571 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.216 -5.997 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.215 -6.769 -2.365 1.00 0.00 H new ATOM 1174 N THR A 73 16.623 -9.459 -1.091 1.00 0.00 N ATOM 1175 CA THR A 73 17.468 -10.139 -0.069 1.00 0.00 C ATOM 1176 C THR A 73 18.135 -11.371 -0.685 1.00 0.00 C ATOM 1177 O THR A 73 17.680 -12.485 -0.515 1.00 0.00 O ATOM 1178 CB THR A 73 16.497 -10.551 1.037 1.00 0.00 C ATOM 1179 OG1 THR A 73 17.131 -11.489 1.896 1.00 0.00 O ATOM 1180 CG2 THR A 73 15.252 -11.185 0.416 1.00 0.00 C ATOM 0 H THR A 73 15.999 -10.072 -1.616 1.00 0.00 H new ATOM 0 HA THR A 73 18.264 -9.497 0.309 1.00 0.00 H new ATOM 0 HB THR A 73 16.205 -9.671 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.985 -11.122 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.561 -11.478 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.767 -10.464 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.540 -12.065 -0.159 1.00 0.00 H new ATOM 1188 N LEU A 74 19.208 -11.180 -1.401 1.00 0.00 N ATOM 1189 CA LEU A 74 19.903 -12.340 -2.031 1.00 0.00 C ATOM 1190 C LEU A 74 21.414 -12.101 -2.054 1.00 0.00 C ATOM 1191 O LEU A 74 21.889 -11.032 -1.723 1.00 0.00 O ATOM 1192 CB LEU A 74 19.348 -12.406 -3.455 1.00 0.00 C ATOM 1193 CG LEU A 74 19.471 -13.834 -3.988 1.00 0.00 C ATOM 1194 CD1 LEU A 74 18.772 -14.800 -3.031 1.00 0.00 C ATOM 1195 CD2 LEU A 74 18.814 -13.919 -5.368 1.00 0.00 C ATOM 0 H LEU A 74 19.635 -10.271 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 74 19.737 -13.269 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.304 -12.092 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.893 -11.718 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 74 20.524 -14.103 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.860 -15.817 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.238 -14.739 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.718 -14.533 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 74 18.900 -14.936 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.761 -13.650 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.312 -13.231 -6.051 1.00 0.00 H new ATOM 1207 N GLY A 75 22.175 -13.085 -2.448 1.00 0.00 N ATOM 1208 CA GLY A 75 23.653 -12.909 -2.497 1.00 0.00 C ATOM 1209 C GLY A 75 24.014 -11.946 -3.630 1.00 0.00 C ATOM 1210 O GLY A 75 25.106 -11.419 -3.684 1.00 0.00 O ATOM 0 H GLY A 75 21.837 -14.003 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.016 -12.520 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.140 -13.872 -2.654 1.00 0.00 H new ATOM 1214 N GLN A 76 23.103 -11.715 -4.537 1.00 0.00 N ATOM 1215 CA GLN A 76 23.394 -10.787 -5.667 1.00 0.00 C ATOM 1216 C GLN A 76 22.516 -9.535 -5.566 1.00 0.00 C ATOM 1217 O GLN A 76 21.480 -9.541 -4.932 1.00 0.00 O ATOM 1218 CB GLN A 76 23.064 -11.585 -6.933 1.00 0.00 C ATOM 1219 CG GLN A 76 21.550 -11.587 -7.169 1.00 0.00 C ATOM 1220 CD GLN A 76 21.176 -12.743 -8.097 1.00 0.00 C ATOM 1221 OE1 GLN A 76 22.011 -13.555 -8.440 1.00 0.00 O ATOM 1222 NE2 GLN A 76 19.947 -12.851 -8.520 1.00 0.00 N ATOM 0 H GLN A 76 22.171 -12.129 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 76 24.429 -10.444 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 76 23.574 -11.148 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 76 23.427 -12.608 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 76 21.024 -11.685 -6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.239 -10.639 -7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.246 -12.168 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.686 -13.618 -9.140 1.00 0.00 H new ATOM 1231 N ALA A 77 22.923 -8.464 -6.190 1.00 0.00 N ATOM 1232 CA ALA A 77 22.112 -7.213 -6.133 1.00 0.00 C ATOM 1233 C ALA A 77 21.071 -7.209 -7.255 1.00 0.00 C ATOM 1234 O ALA A 77 21.148 -7.982 -8.189 1.00 0.00 O ATOM 1235 CB ALA A 77 23.117 -6.079 -6.332 1.00 0.00 C ATOM 0 H ALA A 77 23.782 -8.400 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 77 21.569 -7.115 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 77 22.596 -5.122 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 77 23.863 -6.111 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.610 -6.195 -7.297 1.00 0.00 H new ATOM 1241 N TRP A 78 20.097 -6.342 -7.172 1.00 0.00 N ATOM 1242 CA TRP A 78 19.054 -6.294 -8.237 1.00 0.00 C ATOM 1243 C TRP A 78 19.579 -5.528 -9.455 1.00 0.00 C ATOM 1244 O TRP A 78 20.245 -4.521 -9.328 1.00 0.00 O ATOM 1245 CB TRP A 78 17.876 -5.551 -7.607 1.00 0.00 C ATOM 1246 CG TRP A 78 16.709 -5.587 -8.542 1.00 0.00 C ATOM 1247 CD1 TRP A 78 16.033 -4.502 -8.984 1.00 0.00 C ATOM 1248 CD2 TRP A 78 16.072 -6.745 -9.155 1.00 0.00 C ATOM 1249 NE1 TRP A 78 15.020 -4.920 -9.829 1.00 0.00 N ATOM 1250 CE2 TRP A 78 15.003 -6.295 -9.966 1.00 0.00 C ATOM 1251 CE3 TRP A 78 16.313 -8.130 -9.087 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 14.203 -7.185 -10.684 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 15.511 -9.029 -9.808 1.00 0.00 C ATOM 1254 CH2 TRP A 78 14.458 -8.557 -10.605 1.00 0.00 C ATOM 0 H TRP A 78 19.979 -5.668 -6.416 1.00 0.00 H new ATOM 0 HA TRP A 78 18.771 -7.288 -8.582 1.00 0.00 H new ATOM 0 HB2 TRP A 78 17.608 -6.011 -6.656 1.00 0.00 H new ATOM 0 HB3 TRP A 78 18.154 -4.519 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 78 16.249 -3.477 -8.721 1.00 0.00 H new ATOM 0 HE1 TRP A 78 14.366 -4.290 -10.294 1.00 0.00 H new ATOM 0 HE3 TRP A 78 17.121 -8.504 -8.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 13.393 -6.816 -11.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 15.706 -10.090 -9.749 1.00 0.00 H new ATOM 0 HH2 TRP A 78 13.844 -9.253 -11.157 1.00 0.00 H new ATOM 1265 N GLN A 79 19.284 -6.002 -10.634 1.00 0.00 N ATOM 1266 CA GLN A 79 19.767 -5.306 -11.860 1.00 0.00 C ATOM 1267 C GLN A 79 18.674 -5.316 -12.934 1.00 0.00 C ATOM 1268 O GLN A 79 18.815 -5.935 -13.969 1.00 0.00 O ATOM 1269 CB GLN A 79 20.981 -6.115 -12.318 1.00 0.00 C ATOM 1270 CG GLN A 79 21.624 -5.437 -13.530 1.00 0.00 C ATOM 1271 CD GLN A 79 23.144 -5.401 -13.349 1.00 0.00 C ATOM 1272 OE1 GLN A 79 23.665 -4.545 -12.661 1.00 0.00 O ATOM 1273 NE2 GLN A 79 23.881 -6.298 -13.943 1.00 0.00 N ATOM 0 H GLN A 79 18.729 -6.841 -10.802 1.00 0.00 H new ATOM 0 HA GLN A 79 20.020 -4.262 -11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.705 -6.194 -11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.678 -7.130 -12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 79 21.368 -5.978 -14.441 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.236 -4.424 -13.642 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.444 -7.016 -14.520 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.895 -6.281 -13.830 1.00 0.00 H new ATOM 1282 N GLY A 80 17.583 -4.638 -12.692 1.00 0.00 N ATOM 1283 CA GLY A 80 16.482 -4.613 -13.697 1.00 0.00 C ATOM 1284 C GLY A 80 16.798 -3.581 -14.783 1.00 0.00 C ATOM 1285 O GLY A 80 16.375 -2.442 -14.714 1.00 0.00 O ATOM 0 H GLY A 80 17.408 -4.101 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.362 -5.600 -14.144 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.538 -4.366 -13.211 1.00 0.00 H new ATOM 1416 N LYS B 19 -12.771 13.065 4.423 1.00 0.00 N ATOM 1417 CA LYS B 19 -12.728 12.932 2.939 1.00 0.00 C ATOM 1418 C LYS B 19 -13.649 11.795 2.485 1.00 0.00 C ATOM 1419 O LYS B 19 -13.344 10.635 2.676 1.00 0.00 O ATOM 1420 CB LYS B 19 -11.271 12.606 2.611 1.00 0.00 C ATOM 1421 CG LYS B 19 -11.027 12.810 1.114 1.00 0.00 C ATOM 1422 CD LYS B 19 -9.536 12.643 0.812 1.00 0.00 C ATOM 1423 CE LYS B 19 -8.769 13.863 1.329 1.00 0.00 C ATOM 1424 NZ LYS B 19 -9.266 15.004 0.512 1.00 0.00 N ATOM 0 HA LYS B 19 -13.065 13.836 2.433 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -10.605 13.246 3.189 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -11.046 11.577 2.890 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -11.608 12.090 0.539 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -11.361 13.803 0.812 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -9.158 11.736 1.284 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -9.382 12.532 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.956 14.026 2.390 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -7.693 13.732 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -8.507 15.706 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -9.561 14.659 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -10.078 15.445 0.990 1.00 0.00 H new ATOM 1438 N PRO B 20 -14.750 12.174 1.894 1.00 0.00 N ATOM 1439 CA PRO B 20 -15.732 11.178 1.402 1.00 0.00 C ATOM 1440 C PRO B 20 -15.188 10.465 0.161 1.00 0.00 C ATOM 1441 O PRO B 20 -15.212 10.994 -0.932 1.00 0.00 O ATOM 1442 CB PRO B 20 -16.955 12.023 1.054 1.00 0.00 C ATOM 1443 CG PRO B 20 -16.416 13.391 0.784 1.00 0.00 C ATOM 1444 CD PRO B 20 -15.179 13.551 1.631 1.00 0.00 C ATOM 0 HA PRO B 20 -15.955 10.397 2.129 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -17.475 11.625 0.183 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -17.672 12.036 1.875 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -16.178 13.510 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -17.155 14.153 1.032 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -14.408 14.117 1.108 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -15.395 14.086 2.556 1.00 0.00 H new ATOM 1452 N CYS B 21 -14.696 9.268 0.324 1.00 0.00 N ATOM 1453 CA CYS B 21 -14.146 8.521 -0.844 1.00 0.00 C ATOM 1454 C CYS B 21 -15.145 7.463 -1.316 1.00 0.00 C ATOM 1455 O CYS B 21 -16.182 7.260 -0.716 1.00 0.00 O ATOM 1456 CB CYS B 21 -12.869 7.860 -0.330 1.00 0.00 C ATOM 1457 SG CYS B 21 -11.840 9.096 0.500 1.00 0.00 S ATOM 0 H CYS B 21 -14.651 8.774 1.215 1.00 0.00 H new ATOM 0 HA CYS B 21 -13.952 9.175 -1.694 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -13.117 7.054 0.361 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -12.320 7.412 -1.158 1.00 0.00 H new ATOM 0 HG CYS B 21 -12.479 9.574 1.527 1.00 0.00 H new ATOM 1463 N LEU B 22 -14.839 6.788 -2.388 1.00 0.00 N ATOM 1464 CA LEU B 22 -15.767 5.742 -2.902 1.00 0.00 C ATOM 1465 C LEU B 22 -15.120 4.358 -2.799 1.00 0.00 C ATOM 1466 O LEU B 22 -14.003 4.149 -3.230 1.00 0.00 O ATOM 1467 CB LEU B 22 -16.007 6.109 -4.368 1.00 0.00 C ATOM 1468 CG LEU B 22 -16.882 7.360 -4.445 1.00 0.00 C ATOM 1469 CD1 LEU B 22 -16.058 8.525 -4.997 1.00 0.00 C ATOM 1470 CD2 LEU B 22 -18.070 7.093 -5.371 1.00 0.00 C ATOM 0 H LEU B 22 -13.985 6.915 -2.931 1.00 0.00 H new ATOM 0 HA LEU B 22 -16.695 5.702 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -15.056 6.286 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.491 5.281 -4.886 1.00 0.00 H new ATOM 0 HG LEU B 22 -17.246 7.612 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -16.681 9.418 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -15.210 8.715 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.695 8.274 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -18.695 7.984 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -17.706 6.842 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -18.657 6.262 -4.979 1.00 0.00 H new ATOM 1482 N LEU B 23 -15.817 3.412 -2.234 1.00 0.00 N ATOM 1483 CA LEU B 23 -15.252 2.038 -2.103 1.00 0.00 C ATOM 1484 C LEU B 23 -16.051 1.067 -2.976 1.00 0.00 C ATOM 1485 O LEU B 23 -17.029 1.439 -3.591 1.00 0.00 O ATOM 1486 CB LEU B 23 -15.407 1.683 -0.623 1.00 0.00 C ATOM 1487 CG LEU B 23 -14.355 2.428 0.200 1.00 0.00 C ATOM 1488 CD1 LEU B 23 -12.958 2.060 -0.303 1.00 0.00 C ATOM 1489 CD2 LEU B 23 -14.565 3.937 0.056 1.00 0.00 C ATOM 0 H LEU B 23 -16.757 3.531 -1.856 1.00 0.00 H new ATOM 0 HA LEU B 23 -14.212 1.981 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -16.407 1.948 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -15.297 0.608 -0.484 1.00 0.00 H new ATOM 0 HG LEU B 23 -14.451 2.146 1.249 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -12.208 2.591 0.284 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -12.805 0.986 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -12.863 2.341 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -13.815 4.466 0.643 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -14.471 4.219 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -15.560 4.202 0.415 1.00 0.00 H new ATOM 1501 N ARG B 24 -15.643 -0.170 -3.047 1.00 0.00 N ATOM 1502 CA ARG B 24 -16.396 -1.147 -3.886 1.00 0.00 C ATOM 1503 C ARG B 24 -16.443 -2.518 -3.208 1.00 0.00 C ATOM 1504 O ARG B 24 -15.817 -2.743 -2.191 1.00 0.00 O ATOM 1505 CB ARG B 24 -15.626 -1.218 -5.206 1.00 0.00 C ATOM 1506 CG ARG B 24 -16.448 -1.991 -6.239 1.00 0.00 C ATOM 1507 CD ARG B 24 -15.875 -1.742 -7.636 1.00 0.00 C ATOM 1508 NE ARG B 24 -15.815 -3.086 -8.276 1.00 0.00 N ATOM 1509 CZ ARG B 24 -15.360 -3.213 -9.494 1.00 0.00 C ATOM 1510 NH1 ARG B 24 -14.956 -2.163 -10.159 1.00 0.00 N ATOM 1511 NH2 ARG B 24 -15.309 -4.392 -10.051 1.00 0.00 N ATOM 0 H ARG B 24 -14.827 -0.546 -2.564 1.00 0.00 H new ATOM 0 HA ARG B 24 -17.432 -0.842 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -15.417 -0.212 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -14.664 -1.707 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -16.429 -3.057 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -17.491 -1.675 -6.200 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -16.508 -1.062 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.886 -1.287 -7.581 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.130 -3.909 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -14.995 -1.240 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -14.601 -2.267 -11.110 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -15.624 -5.214 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -14.954 -4.492 -11.002 1.00 0.00 H new ATOM 1525 N ARG B 25 -17.180 -3.435 -3.770 1.00 0.00 N ATOM 1526 CA ARG B 25 -17.271 -4.799 -3.172 1.00 0.00 C ATOM 1527 C ARG B 25 -16.701 -5.833 -4.146 1.00 0.00 C ATOM 1528 O ARG B 25 -16.597 -5.588 -5.332 1.00 0.00 O ATOM 1529 CB ARG B 25 -18.767 -5.035 -2.955 1.00 0.00 C ATOM 1530 CG ARG B 25 -18.971 -6.297 -2.117 1.00 0.00 C ATOM 1531 CD ARG B 25 -20.431 -6.746 -2.218 1.00 0.00 C ATOM 1532 NE ARG B 25 -21.206 -5.698 -1.495 1.00 0.00 N ATOM 1533 CZ ARG B 25 -22.483 -5.859 -1.282 1.00 0.00 C ATOM 1534 NH1 ARG B 25 -23.090 -6.938 -1.700 1.00 0.00 N ATOM 1535 NH2 ARG B 25 -23.158 -4.938 -0.649 1.00 0.00 N ATOM 0 H ARG B 25 -17.726 -3.299 -4.621 1.00 0.00 H new ATOM 0 HA ARG B 25 -16.707 -4.886 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG B 25 -19.212 -4.176 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG B 25 -19.272 -5.138 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG B 25 -18.310 -7.090 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG B 25 -18.711 -6.102 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG B 25 -20.749 -6.826 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG B 25 -20.575 -7.727 -1.765 1.00 0.00 H new ATOM 0 HE ARG B 25 -20.737 -4.854 -1.166 1.00 0.00 H new ATOM 0 HH11 ARG B 25 -22.565 -7.659 -2.195 1.00 0.00 H new ATOM 0 HH12 ARG B 25 -24.089 -7.059 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -22.687 -4.094 -0.322 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -24.156 -5.062 -0.481 1.00 0.00 H new ATOM 1549 N ASN B 26 -16.332 -6.987 -3.660 1.00 0.00 N ATOM 1550 CA ASN B 26 -15.768 -8.028 -4.568 1.00 0.00 C ATOM 1551 C ASN B 26 -16.896 -8.751 -5.310 1.00 0.00 C ATOM 1552 O ASN B 26 -16.714 -9.247 -6.404 1.00 0.00 O ATOM 1553 CB ASN B 26 -15.023 -8.996 -3.650 1.00 0.00 C ATOM 1554 CG ASN B 26 -14.194 -9.963 -4.497 1.00 0.00 C ATOM 1555 OD1 ASN B 26 -13.119 -9.623 -4.951 1.00 0.00 O ATOM 1556 ND2 ASN B 26 -14.650 -11.163 -4.730 1.00 0.00 N ATOM 0 H ASN B 26 -16.396 -7.254 -2.678 1.00 0.00 H new ATOM 0 HA ASN B 26 -15.112 -7.601 -5.327 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -14.375 -8.443 -2.970 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -15.732 -9.550 -3.035 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.104 -11.816 -5.293 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -15.552 -11.449 -4.349 1.00 0.00 H new ATOM 1563 N TYR B 27 -18.061 -8.816 -4.724 1.00 0.00 N ATOM 1564 CA TYR B 27 -19.198 -9.509 -5.395 1.00 0.00 C ATOM 1565 C TYR B 27 -19.987 -8.522 -6.259 1.00 0.00 C ATOM 1566 O TYR B 27 -20.458 -8.857 -7.328 1.00 0.00 O ATOM 1567 CB TYR B 27 -20.068 -10.033 -4.253 1.00 0.00 C ATOM 1568 CG TYR B 27 -19.194 -10.712 -3.225 1.00 0.00 C ATOM 1569 CD1 TYR B 27 -18.667 -11.983 -3.484 1.00 0.00 C ATOM 1570 CD2 TYR B 27 -18.909 -10.069 -2.014 1.00 0.00 C ATOM 1571 CE1 TYR B 27 -17.856 -12.611 -2.532 1.00 0.00 C ATOM 1572 CE2 TYR B 27 -18.099 -10.698 -1.063 1.00 0.00 C ATOM 1573 CZ TYR B 27 -17.572 -11.969 -1.321 1.00 0.00 C ATOM 1574 OH TYR B 27 -16.773 -12.588 -0.383 1.00 0.00 O ATOM 0 H TYR B 27 -18.275 -8.419 -3.809 1.00 0.00 H new ATOM 0 HA TYR B 27 -18.862 -10.309 -6.055 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -20.617 -9.211 -3.793 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -20.808 -10.735 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -18.886 -12.479 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -19.314 -9.088 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -17.449 -13.591 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -17.880 -10.203 -0.129 1.00 0.00 H new ATOM 0 HH TYR B 27 -16.130 -13.173 -0.836 1.00 0.00 H new ATOM 1584 N SER B 28 -20.139 -7.308 -5.804 1.00 0.00 N ATOM 1585 CA SER B 28 -20.901 -6.304 -6.601 1.00 0.00 C ATOM 1586 C SER B 28 -19.959 -5.537 -7.534 1.00 0.00 C ATOM 1587 O SER B 28 -18.913 -5.069 -7.129 1.00 0.00 O ATOM 1588 CB SER B 28 -21.515 -5.362 -5.566 1.00 0.00 C ATOM 1589 OG SER B 28 -22.350 -4.420 -6.226 1.00 0.00 O ATOM 0 H SER B 28 -19.769 -6.968 -4.916 1.00 0.00 H new ATOM 0 HA SER B 28 -21.659 -6.769 -7.232 1.00 0.00 H new ATOM 0 HB2 SER B 28 -22.093 -5.930 -4.838 1.00 0.00 H new ATOM 0 HB3 SER B 28 -20.729 -4.845 -5.016 1.00 0.00 H new ATOM 0 HG SER B 28 -22.747 -3.815 -5.565 1.00 0.00 H new ATOM 1595 N ARG B 29 -20.324 -5.404 -8.779 1.00 0.00 N ATOM 1596 CA ARG B 29 -19.453 -4.666 -9.739 1.00 0.00 C ATOM 1597 C ARG B 29 -19.803 -3.173 -9.728 1.00 0.00 C ATOM 1598 O ARG B 29 -19.190 -2.378 -10.410 1.00 0.00 O ATOM 1599 CB ARG B 29 -19.763 -5.282 -11.105 1.00 0.00 C ATOM 1600 CG ARG B 29 -18.864 -4.648 -12.168 1.00 0.00 C ATOM 1601 CD ARG B 29 -19.551 -3.406 -12.743 1.00 0.00 C ATOM 1602 NE ARG B 29 -20.017 -3.814 -14.097 1.00 0.00 N ATOM 1603 CZ ARG B 29 -20.861 -3.062 -14.753 1.00 0.00 C ATOM 1604 NH1 ARG B 29 -21.299 -1.951 -14.225 1.00 0.00 N ATOM 1605 NH2 ARG B 29 -21.267 -3.421 -15.940 1.00 0.00 N ATOM 0 H ARG B 29 -21.188 -5.774 -9.174 1.00 0.00 H new ATOM 0 HA ARG B 29 -18.396 -4.745 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -19.603 -6.360 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -20.811 -5.122 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -17.903 -4.376 -11.732 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -18.661 -5.365 -12.963 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -20.386 -3.091 -12.117 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -18.861 -2.564 -12.800 1.00 0.00 H new ATOM 0 HE ARG B 29 -19.677 -4.681 -14.513 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -20.982 -1.668 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -21.958 -1.367 -14.740 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -20.926 -4.288 -16.355 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -21.926 -2.835 -16.453 1.00 0.00 H new ATOM 1619 N GLU B 30 -20.784 -2.792 -8.955 1.00 0.00 N ATOM 1620 CA GLU B 30 -21.176 -1.352 -8.895 1.00 0.00 C ATOM 1621 C GLU B 30 -20.239 -0.590 -7.953 1.00 0.00 C ATOM 1622 O GLU B 30 -19.583 -1.172 -7.113 1.00 0.00 O ATOM 1623 CB GLU B 30 -22.602 -1.358 -8.343 1.00 0.00 C ATOM 1624 CG GLU B 30 -23.012 0.067 -7.965 1.00 0.00 C ATOM 1625 CD GLU B 30 -24.321 0.028 -7.174 1.00 0.00 C ATOM 1626 OE1 GLU B 30 -24.254 -0.102 -5.962 1.00 0.00 O ATOM 1627 OE2 GLU B 30 -25.367 0.128 -7.793 1.00 0.00 O ATOM 0 H GLU B 30 -21.332 -3.415 -8.362 1.00 0.00 H new ATOM 0 HA GLU B 30 -21.115 -0.863 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -23.289 -1.760 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -22.662 -2.008 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -22.229 0.536 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -23.135 0.672 -8.863 1.00 0.00 H new ATOM 1634 N GLN B 31 -20.170 0.709 -8.083 1.00 0.00 N ATOM 1635 CA GLN B 31 -19.272 1.493 -7.187 1.00 0.00 C ATOM 1636 C GLN B 31 -20.009 1.880 -5.902 1.00 0.00 C ATOM 1637 O GLN B 31 -21.190 2.162 -5.911 1.00 0.00 O ATOM 1638 CB GLN B 31 -18.899 2.742 -7.988 1.00 0.00 C ATOM 1639 CG GLN B 31 -17.844 3.540 -7.219 1.00 0.00 C ATOM 1640 CD GLN B 31 -17.282 4.645 -8.115 1.00 0.00 C ATOM 1641 OE1 GLN B 31 -17.959 5.130 -8.999 1.00 0.00 O ATOM 1642 NE2 GLN B 31 -16.061 5.065 -7.922 1.00 0.00 N ATOM 0 H GLN B 31 -20.693 1.257 -8.766 1.00 0.00 H new ATOM 0 HA GLN B 31 -18.392 0.924 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -18.514 2.458 -8.968 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -19.783 3.356 -8.158 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -18.285 3.975 -6.322 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -17.041 2.880 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -15.493 4.657 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -15.675 5.801 -8.514 1.00 0.00 H new ATOM 1651 N HIS B 32 -19.315 1.891 -4.795 1.00 0.00 N ATOM 1652 CA HIS B 32 -19.968 2.254 -3.506 1.00 0.00 C ATOM 1653 C HIS B 32 -19.426 3.601 -3.017 1.00 0.00 C ATOM 1654 O HIS B 32 -18.526 4.166 -3.605 1.00 0.00 O ATOM 1655 CB HIS B 32 -19.590 1.140 -2.522 1.00 0.00 C ATOM 1656 CG HIS B 32 -19.843 -0.224 -3.124 1.00 0.00 C ATOM 1657 ND1 HIS B 32 -20.321 -1.270 -2.357 1.00 0.00 N ATOM 1658 CD2 HIS B 32 -19.691 -0.736 -4.395 1.00 0.00 C ATOM 1659 CE1 HIS B 32 -20.444 -2.344 -3.157 1.00 0.00 C ATOM 1660 NE2 HIS B 32 -20.073 -2.074 -4.408 1.00 0.00 N ATOM 0 H HIS B 32 -18.323 1.664 -4.729 1.00 0.00 H new ATOM 0 HA HIS B 32 -21.049 2.349 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS B 32 -18.539 1.232 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS B 32 -20.168 1.249 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS B 32 -19.331 -0.183 -5.250 1.00 0.00 H new ATOM 0 HE1 HIS B 32 -20.800 -3.308 -2.826 1.00 0.00 H new ATOM 0 HE2 HIS B 32 -20.070 -2.711 -5.204 1.00 0.00 H new ATOM 1668 N GLY B 33 -19.961 4.119 -1.945 1.00 0.00 N ATOM 1669 CA GLY B 33 -19.466 5.427 -1.428 1.00 0.00 C ATOM 1670 C GLY B 33 -19.396 5.384 0.100 1.00 0.00 C ATOM 1671 O GLY B 33 -20.294 4.900 0.759 1.00 0.00 O ATOM 0 H GLY B 33 -20.717 3.695 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -18.481 5.643 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -20.129 6.230 -1.749 1.00 0.00 H new ATOM 1675 N VAL B 34 -18.333 5.888 0.668 1.00 0.00 N ATOM 1676 CA VAL B 34 -18.205 5.876 2.155 1.00 0.00 C ATOM 1677 C VAL B 34 -17.589 7.190 2.647 1.00 0.00 C ATOM 1678 O VAL B 34 -17.190 8.031 1.865 1.00 0.00 O ATOM 1679 CB VAL B 34 -17.278 4.699 2.460 1.00 0.00 C ATOM 1680 CG1 VAL B 34 -17.226 4.466 3.971 1.00 0.00 C ATOM 1681 CG2 VAL B 34 -17.810 3.442 1.768 1.00 0.00 C ATOM 0 H VAL B 34 -17.549 6.307 0.168 1.00 0.00 H new ATOM 0 HA VAL B 34 -19.170 5.776 2.652 1.00 0.00 H new ATOM 0 HB VAL B 34 -16.276 4.921 2.094 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -16.565 3.627 4.187 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -16.849 5.362 4.464 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -18.227 4.243 4.339 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -17.151 2.601 1.984 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -18.812 3.221 2.135 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -17.847 3.607 0.691 1.00 0.00 H new ATOM 1691 N ALA B 35 -17.508 7.371 3.937 1.00 0.00 N ATOM 1692 CA ALA B 35 -16.917 8.629 4.480 1.00 0.00 C ATOM 1693 C ALA B 35 -15.970 8.307 5.639 1.00 0.00 C ATOM 1694 O ALA B 35 -16.394 8.076 6.754 1.00 0.00 O ATOM 1695 CB ALA B 35 -18.110 9.446 4.975 1.00 0.00 C ATOM 0 H ALA B 35 -17.825 6.703 4.639 1.00 0.00 H new ATOM 0 HA ALA B 35 -16.336 9.169 3.733 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -17.757 10.390 5.391 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -18.785 9.646 4.143 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -18.640 8.886 5.745 1.00 0.00 H new ATOM 1701 N ALA B 36 -14.690 8.285 5.385 1.00 0.00 N ATOM 1702 CA ALA B 36 -13.720 7.974 6.474 1.00 0.00 C ATOM 1703 C ALA B 36 -12.480 8.865 6.358 1.00 0.00 C ATOM 1704 O ALA B 36 -12.039 9.195 5.275 1.00 0.00 O ATOM 1705 CB ALA B 36 -13.347 6.508 6.259 1.00 0.00 C ATOM 0 H ALA B 36 -14.274 8.469 4.472 1.00 0.00 H new ATOM 0 HA ALA B 36 -14.142 8.151 7.464 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -12.633 6.198 7.022 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -14.243 5.891 6.328 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -12.899 6.388 5.273 1.00 0.00 H new ATOM 1711 N SER B 37 -11.914 9.254 7.468 1.00 0.00 N ATOM 1712 CA SER B 37 -10.702 10.121 7.424 1.00 0.00 C ATOM 1713 C SER B 37 -9.435 9.259 7.395 1.00 0.00 C ATOM 1714 O SER B 37 -8.414 9.657 6.872 1.00 0.00 O ATOM 1715 CB SER B 37 -10.758 10.946 8.709 1.00 0.00 C ATOM 1716 OG SER B 37 -10.412 10.120 9.813 1.00 0.00 O ATOM 0 H SER B 37 -12.238 9.009 8.403 1.00 0.00 H new ATOM 0 HA SER B 37 -10.678 10.752 6.535 1.00 0.00 H new ATOM 0 HB2 SER B 37 -10.072 11.790 8.643 1.00 0.00 H new ATOM 0 HB3 SER B 37 -11.758 11.358 8.847 1.00 0.00 H new ATOM 0 HG SER B 37 -9.436 10.068 9.889 1.00 0.00 H new ATOM 1722 N CYS B 38 -9.494 8.081 7.955 1.00 0.00 N ATOM 1723 CA CYS B 38 -8.293 7.195 7.959 1.00 0.00 C ATOM 1724 C CYS B 38 -8.650 5.813 7.405 1.00 0.00 C ATOM 1725 O CYS B 38 -9.784 5.384 7.464 1.00 0.00 O ATOM 1726 CB CYS B 38 -7.882 7.093 9.429 1.00 0.00 C ATOM 1727 SG CYS B 38 -7.816 8.750 10.153 1.00 0.00 S ATOM 0 H CYS B 38 -10.321 7.694 8.410 1.00 0.00 H new ATOM 0 HA CYS B 38 -7.489 7.587 7.336 1.00 0.00 H new ATOM 0 HB2 CYS B 38 -8.594 6.474 9.975 1.00 0.00 H new ATOM 0 HB3 CYS B 38 -6.909 6.609 9.513 1.00 0.00 H new ATOM 0 HG CYS B 38 -7.469 8.664 11.403 1.00 0.00 H new ATOM 1733 N LEU B 39 -7.687 5.112 6.866 1.00 0.00 N ATOM 1734 CA LEU B 39 -7.973 3.758 6.310 1.00 0.00 C ATOM 1735 C LEU B 39 -8.798 2.938 7.307 1.00 0.00 C ATOM 1736 O LEU B 39 -9.911 2.541 7.025 1.00 0.00 O ATOM 1737 CB LEU B 39 -6.599 3.117 6.096 1.00 0.00 C ATOM 1738 CG LEU B 39 -5.934 3.729 4.863 1.00 0.00 C ATOM 1739 CD1 LEU B 39 -4.604 3.022 4.595 1.00 0.00 C ATOM 1740 CD2 LEU B 39 -6.854 3.557 3.652 1.00 0.00 C ATOM 0 H LEU B 39 -6.717 5.418 6.787 1.00 0.00 H new ATOM 0 HA LEU B 39 -8.549 3.806 5.386 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -5.973 3.273 6.974 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -6.705 2.040 5.967 1.00 0.00 H new ATOM 0 HG LEU B 39 -5.753 4.790 5.037 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.130 3.459 3.716 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.948 3.141 5.457 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -4.784 1.961 4.421 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.382 3.993 2.772 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -7.034 2.496 3.480 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -7.802 4.060 3.841 1.00 0.00 H new ATOM 1752 N GLU B 40 -8.260 2.682 8.469 1.00 0.00 N ATOM 1753 CA GLU B 40 -9.014 1.887 9.481 1.00 0.00 C ATOM 1754 C GLU B 40 -10.478 2.337 9.524 1.00 0.00 C ATOM 1755 O GLU B 40 -11.379 1.536 9.674 1.00 0.00 O ATOM 1756 CB GLU B 40 -8.324 2.182 10.814 1.00 0.00 C ATOM 1757 CG GLU B 40 -8.934 1.308 11.910 1.00 0.00 C ATOM 1758 CD GLU B 40 -8.377 1.729 13.271 1.00 0.00 C ATOM 1759 OE1 GLU B 40 -8.919 2.656 13.850 1.00 0.00 O ATOM 1760 OE2 GLU B 40 -7.418 1.118 13.711 1.00 0.00 O ATOM 0 H GLU B 40 -7.332 2.989 8.761 1.00 0.00 H new ATOM 0 HA GLU B 40 -9.015 0.822 9.250 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -7.255 1.988 10.733 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -8.438 3.236 11.069 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.020 1.405 11.904 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -8.707 0.259 11.721 1.00 0.00 H new ATOM 1767 N ASP B 41 -10.719 3.612 9.389 1.00 0.00 N ATOM 1768 CA ASP B 41 -12.124 4.111 9.419 1.00 0.00 C ATOM 1769 C ASP B 41 -12.836 3.754 8.112 1.00 0.00 C ATOM 1770 O ASP B 41 -13.982 3.346 8.108 1.00 0.00 O ATOM 1771 CB ASP B 41 -12.005 5.627 9.568 1.00 0.00 C ATOM 1772 CG ASP B 41 -13.384 6.221 9.861 1.00 0.00 C ATOM 1773 OD1 ASP B 41 -14.149 5.577 10.560 1.00 0.00 O ATOM 1774 OD2 ASP B 41 -13.653 7.310 9.379 1.00 0.00 O ATOM 0 H ASP B 41 -10.006 4.329 9.259 1.00 0.00 H new ATOM 0 HA ASP B 41 -12.703 3.668 10.229 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -11.314 5.871 10.375 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -11.596 6.062 8.656 1.00 0.00 H new ATOM 1779 N LEU B 42 -12.166 3.902 7.002 1.00 0.00 N ATOM 1780 CA LEU B 42 -12.804 3.570 5.696 1.00 0.00 C ATOM 1781 C LEU B 42 -13.341 2.137 5.722 1.00 0.00 C ATOM 1782 O LEU B 42 -14.464 1.879 5.339 1.00 0.00 O ATOM 1783 CB LEU B 42 -11.687 3.708 4.661 1.00 0.00 C ATOM 1784 CG LEU B 42 -12.283 3.632 3.254 1.00 0.00 C ATOM 1785 CD1 LEU B 42 -12.984 4.950 2.924 1.00 0.00 C ATOM 1786 CD2 LEU B 42 -11.165 3.383 2.240 1.00 0.00 C ATOM 0 H LEU B 42 -11.205 4.238 6.943 1.00 0.00 H new ATOM 0 HA LEU B 42 -13.648 4.222 5.470 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -11.166 4.656 4.796 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -10.950 2.917 4.798 1.00 0.00 H new ATOM 0 HG LEU B 42 -13.004 2.816 3.209 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -13.408 4.895 1.922 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -13.781 5.129 3.646 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -12.263 5.767 2.969 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -11.589 3.329 1.237 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -10.444 4.199 2.286 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -10.664 2.443 2.474 1.00 0.00 H new ATOM 1798 N ARG B 43 -12.548 1.204 6.173 1.00 0.00 N ATOM 1799 CA ARG B 43 -13.018 -0.210 6.224 1.00 0.00 C ATOM 1800 C ARG B 43 -14.256 -0.313 7.115 1.00 0.00 C ATOM 1801 O ARG B 43 -15.350 -0.569 6.652 1.00 0.00 O ATOM 1802 CB ARG B 43 -11.857 -0.992 6.837 1.00 0.00 C ATOM 1803 CG ARG B 43 -12.059 -2.488 6.587 1.00 0.00 C ATOM 1804 CD ARG B 43 -10.767 -3.240 6.914 1.00 0.00 C ATOM 1805 NE ARG B 43 -11.163 -4.268 7.916 1.00 0.00 N ATOM 1806 CZ ARG B 43 -10.287 -5.134 8.350 1.00 0.00 C ATOM 1807 NH1 ARG B 43 -9.058 -5.103 7.909 1.00 0.00 N ATOM 1808 NH2 ARG B 43 -10.640 -6.032 9.229 1.00 0.00 N ATOM 0 H ARG B 43 -11.597 1.359 6.508 1.00 0.00 H new ATOM 0 HA ARG B 43 -13.293 -0.592 5.241 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -10.913 -0.664 6.401 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -11.798 -0.796 7.908 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -12.876 -2.863 7.203 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -12.339 -2.659 5.547 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -10.342 -3.701 6.022 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -10.010 -2.567 7.317 1.00 0.00 H new ATOM 0 HE ARG B 43 -12.121 -4.296 8.264 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -8.780 -4.401 7.223 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -8.376 -5.781 8.250 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -11.599 -6.057 9.576 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -9.957 -6.709 9.569 1.00 0.00 H new ATOM 1822 N SER B 44 -14.088 -0.111 8.391 1.00 0.00 N ATOM 1823 CA SER B 44 -15.251 -0.192 9.321 1.00 0.00 C ATOM 1824 C SER B 44 -16.467 0.504 8.707 1.00 0.00 C ATOM 1825 O SER B 44 -17.510 -0.094 8.526 1.00 0.00 O ATOM 1826 CB SER B 44 -14.798 0.537 10.585 1.00 0.00 C ATOM 1827 OG SER B 44 -15.775 0.364 11.603 1.00 0.00 O ATOM 0 H SER B 44 -13.195 0.107 8.832 1.00 0.00 H new ATOM 0 HA SER B 44 -15.545 -1.221 9.527 1.00 0.00 H new ATOM 0 HB2 SER B 44 -13.836 0.147 10.918 1.00 0.00 H new ATOM 0 HB3 SER B 44 -14.657 1.598 10.376 1.00 0.00 H new ATOM 0 HG SER B 44 -15.486 0.829 12.416 1.00 0.00 H new ATOM 1833 N LYS B 45 -16.343 1.762 8.381 1.00 0.00 N ATOM 1834 CA LYS B 45 -17.491 2.491 7.777 1.00 0.00 C ATOM 1835 C LYS B 45 -17.881 1.845 6.446 1.00 0.00 C ATOM 1836 O LYS B 45 -19.031 1.856 6.052 1.00 0.00 O ATOM 1837 CB LYS B 45 -16.980 3.915 7.557 1.00 0.00 C ATOM 1838 CG LYS B 45 -16.993 4.672 8.887 1.00 0.00 C ATOM 1839 CD LYS B 45 -16.723 6.156 8.633 1.00 0.00 C ATOM 1840 CE LYS B 45 -16.933 6.943 9.928 1.00 0.00 C ATOM 1841 NZ LYS B 45 -18.410 7.086 10.057 1.00 0.00 N ATOM 0 H LYS B 45 -15.495 2.315 8.507 1.00 0.00 H new ATOM 0 HA LYS B 45 -18.378 2.471 8.411 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -15.969 3.891 7.149 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -17.606 4.429 6.827 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -17.957 4.546 9.380 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -16.237 4.264 9.557 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -15.704 6.294 8.272 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -17.390 6.530 7.856 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -16.511 6.415 10.783 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -16.445 7.916 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -18.676 8.081 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -18.880 6.497 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -18.707 6.779 11.005 1.00 0.00 H new ATOM 1855 N ALA B 46 -16.933 1.276 5.751 1.00 0.00 N ATOM 1856 CA ALA B 46 -17.253 0.625 4.450 1.00 0.00 C ATOM 1857 C ALA B 46 -17.872 -0.754 4.696 1.00 0.00 C ATOM 1858 O ALA B 46 -18.448 -1.355 3.810 1.00 0.00 O ATOM 1859 CB ALA B 46 -15.910 0.490 3.730 1.00 0.00 C ATOM 0 H ALA B 46 -15.952 1.234 6.028 1.00 0.00 H new ATOM 0 HA ALA B 46 -17.970 1.199 3.863 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -16.063 0.017 2.760 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -15.473 1.478 3.587 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -15.236 -0.122 4.329 1.00 0.00 H new ATOM 1865 N CYS B 47 -17.759 -1.257 5.895 1.00 0.00 N ATOM 1866 CA CYS B 47 -18.341 -2.594 6.203 1.00 0.00 C ATOM 1867 C CYS B 47 -19.840 -2.464 6.488 1.00 0.00 C ATOM 1868 O CYS B 47 -20.641 -3.247 6.020 1.00 0.00 O ATOM 1869 CB CYS B 47 -17.598 -3.074 7.450 1.00 0.00 C ATOM 1870 SG CYS B 47 -17.893 -4.843 7.685 1.00 0.00 S ATOM 0 H CYS B 47 -17.288 -0.799 6.675 1.00 0.00 H new ATOM 0 HA CYS B 47 -18.234 -3.292 5.372 1.00 0.00 H new ATOM 0 HB2 CYS B 47 -16.530 -2.883 7.346 1.00 0.00 H new ATOM 0 HB3 CYS B 47 -17.937 -2.519 8.325 1.00 0.00 H new ATOM 0 HG CYS B 47 -17.260 -5.252 8.744 1.00 0.00 H new ATOM 1876 N ASP B 48 -20.224 -1.477 7.253 1.00 0.00 N ATOM 1877 CA ASP B 48 -21.671 -1.298 7.567 1.00 0.00 C ATOM 1878 C ASP B 48 -22.397 -0.671 6.373 1.00 0.00 C ATOM 1879 O ASP B 48 -23.514 -1.031 6.056 1.00 0.00 O ATOM 1880 CB ASP B 48 -21.706 -0.359 8.774 1.00 0.00 C ATOM 1881 CG ASP B 48 -20.865 0.885 8.483 1.00 0.00 C ATOM 1882 OD1 ASP B 48 -21.260 1.656 7.624 1.00 0.00 O ATOM 1883 OD2 ASP B 48 -19.842 1.047 9.127 1.00 0.00 O ATOM 0 H ASP B 48 -19.600 -0.789 7.673 1.00 0.00 H new ATOM 0 HA ASP B 48 -22.167 -2.245 7.778 1.00 0.00 H new ATOM 0 HB2 ASP B 48 -22.734 -0.072 8.994 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -21.323 -0.871 9.657 1.00 0.00 H new ATOM 1888 N ILE B 49 -21.773 0.260 5.704 1.00 0.00 N ATOM 1889 CA ILE B 49 -22.431 0.902 4.530 1.00 0.00 C ATOM 1890 C ILE B 49 -22.498 -0.093 3.369 1.00 0.00 C ATOM 1891 O ILE B 49 -23.474 -0.158 2.648 1.00 0.00 O ATOM 1892 CB ILE B 49 -21.534 2.089 4.173 1.00 0.00 C ATOM 1893 CG1 ILE B 49 -22.243 2.982 3.146 1.00 0.00 C ATOM 1894 CG2 ILE B 49 -20.219 1.577 3.583 1.00 0.00 C ATOM 1895 CD1 ILE B 49 -22.402 2.233 1.820 1.00 0.00 C ATOM 0 H ILE B 49 -20.837 0.604 5.919 1.00 0.00 H new ATOM 0 HA ILE B 49 -23.452 1.218 4.742 1.00 0.00 H new ATOM 0 HB ILE B 49 -21.327 2.668 5.073 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -23.221 3.279 3.524 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -21.670 3.896 2.990 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -19.580 2.423 3.329 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -19.713 0.947 4.315 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -20.425 0.995 2.685 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -22.906 2.875 1.098 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -21.419 1.958 1.437 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -22.994 1.332 1.980 1.00 0.00 H new ATOM 1907 N LEU B 50 -21.467 -0.871 3.187 1.00 0.00 N ATOM 1908 CA LEU B 50 -21.468 -1.867 2.077 1.00 0.00 C ATOM 1909 C LEU B 50 -22.573 -2.902 2.302 1.00 0.00 C ATOM 1910 O LEU B 50 -23.030 -3.549 1.381 1.00 0.00 O ATOM 1911 CB LEU B 50 -20.090 -2.528 2.139 1.00 0.00 C ATOM 1912 CG LEU B 50 -20.009 -3.644 1.098 1.00 0.00 C ATOM 1913 CD1 LEU B 50 -19.600 -3.054 -0.252 1.00 0.00 C ATOM 1914 CD2 LEU B 50 -18.967 -4.676 1.536 1.00 0.00 C ATOM 0 H LEU B 50 -20.623 -0.861 3.759 1.00 0.00 H new ATOM 0 HA LEU B 50 -21.655 -1.408 1.106 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -19.312 -1.788 1.954 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -19.914 -2.933 3.136 1.00 0.00 H new ATOM 0 HG LEU B 50 -20.983 -4.125 1.006 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -19.542 -3.850 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -20.340 -2.318 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -18.626 -2.573 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -18.909 -5.472 0.794 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -17.994 -4.194 1.628 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -19.255 -5.098 2.499 1.00 0.00 H new ATOM 1926 N ALA B 51 -23.004 -3.064 3.523 1.00 0.00 N ATOM 1927 CA ALA B 51 -24.079 -4.056 3.810 1.00 0.00 C ATOM 1928 C ALA B 51 -23.669 -5.443 3.309 1.00 0.00 C ATOM 1929 O ALA B 51 -24.353 -6.051 2.511 1.00 0.00 O ATOM 1930 CB ALA B 51 -25.299 -3.548 3.043 1.00 0.00 C ATOM 0 H ALA B 51 -22.658 -2.552 4.335 1.00 0.00 H new ATOM 0 HA ALA B 51 -24.278 -4.152 4.877 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -26.137 -4.226 3.203 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -25.564 -2.553 3.399 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -25.067 -3.503 1.979 1.00 0.00 H new ATOM 1936 N ILE B 52 -22.559 -5.948 3.774 1.00 0.00 N ATOM 1937 CA ILE B 52 -22.110 -7.296 3.323 1.00 0.00 C ATOM 1938 C ILE B 52 -22.256 -8.309 4.462 1.00 0.00 C ATOM 1939 O ILE B 52 -22.241 -7.956 5.624 1.00 0.00 O ATOM 1940 CB ILE B 52 -20.639 -7.116 2.946 1.00 0.00 C ATOM 1941 CG1 ILE B 52 -20.119 -8.399 2.291 1.00 0.00 C ATOM 1942 CG2 ILE B 52 -19.822 -6.819 4.204 1.00 0.00 C ATOM 1943 CD1 ILE B 52 -20.152 -8.245 0.770 1.00 0.00 C ATOM 0 H ILE B 52 -21.945 -5.487 4.445 1.00 0.00 H new ATOM 0 HA ILE B 52 -22.700 -7.672 2.488 1.00 0.00 H new ATOM 0 HB ILE B 52 -20.543 -6.286 2.246 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -19.102 -8.604 2.624 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -20.731 -9.249 2.594 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -18.774 -6.691 3.935 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -20.191 -5.906 4.670 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -19.918 -7.649 4.904 1.00 0.00 H new ATOM 0 HD11 ILE B 52 -19.782 -9.158 0.304 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -21.176 -8.061 0.445 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -19.522 -7.406 0.475 1.00 0.00 H new ATOM 1955 N ASP B 53 -22.400 -9.565 4.138 1.00 0.00 N ATOM 1956 CA ASP B 53 -22.552 -10.597 5.204 1.00 0.00 C ATOM 1957 C ASP B 53 -21.216 -11.301 5.458 1.00 0.00 C ATOM 1958 O ASP B 53 -21.019 -11.928 6.481 1.00 0.00 O ATOM 1959 CB ASP B 53 -23.580 -11.586 4.653 1.00 0.00 C ATOM 1960 CG ASP B 53 -23.935 -12.610 5.732 1.00 0.00 C ATOM 1961 OD1 ASP B 53 -24.411 -12.198 6.778 1.00 0.00 O ATOM 1962 OD2 ASP B 53 -23.724 -13.787 5.496 1.00 0.00 O ATOM 0 H ASP B 53 -22.419 -9.921 3.182 1.00 0.00 H new ATOM 0 HA ASP B 53 -22.867 -10.164 6.153 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -24.476 -11.054 4.333 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -23.179 -12.092 3.775 1.00 0.00 H new ATOM 1967 N LYS B 54 -20.297 -11.205 4.537 1.00 0.00 N ATOM 1968 CA LYS B 54 -18.977 -11.871 4.730 1.00 0.00 C ATOM 1969 C LYS B 54 -18.019 -10.944 5.484 1.00 0.00 C ATOM 1970 O LYS B 54 -16.819 -10.992 5.300 1.00 0.00 O ATOM 1971 CB LYS B 54 -18.462 -12.140 3.316 1.00 0.00 C ATOM 1972 CG LYS B 54 -17.236 -13.050 3.384 1.00 0.00 C ATOM 1973 CD LYS B 54 -17.689 -14.508 3.474 1.00 0.00 C ATOM 1974 CE LYS B 54 -16.529 -15.429 3.092 1.00 0.00 C ATOM 1975 NZ LYS B 54 -17.047 -16.808 3.310 1.00 0.00 N ATOM 0 H LYS B 54 -20.402 -10.695 3.660 1.00 0.00 H new ATOM 0 HA LYS B 54 -19.058 -12.786 5.317 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -19.243 -12.608 2.716 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -18.204 -11.201 2.827 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -16.613 -12.905 2.502 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -16.626 -12.793 4.250 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -18.027 -14.733 4.486 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -18.536 -14.678 2.809 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -16.230 -15.279 2.055 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -15.651 -15.235 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -16.308 -17.499 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -17.317 -16.924 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -17.878 -16.966 2.706 1.00 0.00 H new ATOM 1989 N SER B 55 -18.540 -10.099 6.330 1.00 0.00 N ATOM 1990 CA SER B 55 -17.661 -9.168 7.095 1.00 0.00 C ATOM 1991 C SER B 55 -16.583 -9.948 7.854 1.00 0.00 C ATOM 1992 O SER B 55 -15.600 -9.390 8.298 1.00 0.00 O ATOM 1993 CB SER B 55 -18.597 -8.460 8.073 1.00 0.00 C ATOM 1994 OG SER B 55 -19.624 -7.801 7.344 1.00 0.00 O ATOM 0 H SER B 55 -19.537 -10.012 6.525 1.00 0.00 H new ATOM 0 HA SER B 55 -17.140 -8.467 6.443 1.00 0.00 H new ATOM 0 HB2 SER B 55 -19.032 -9.181 8.766 1.00 0.00 H new ATOM 0 HB3 SER B 55 -18.040 -7.739 8.671 1.00 0.00 H new ATOM 0 HG SER B 55 -19.407 -6.849 7.262 1.00 0.00 H new ATOM 2000 N LEU B 56 -16.762 -11.231 8.015 1.00 0.00 N ATOM 2001 CA LEU B 56 -15.753 -12.039 8.752 1.00 0.00 C ATOM 2002 C LEU B 56 -14.476 -12.234 7.920 1.00 0.00 C ATOM 2003 O LEU B 56 -13.567 -12.931 8.325 1.00 0.00 O ATOM 2004 CB LEU B 56 -16.461 -13.373 9.040 1.00 0.00 C ATOM 2005 CG LEU B 56 -16.439 -14.315 7.822 1.00 0.00 C ATOM 2006 CD1 LEU B 56 -16.837 -13.560 6.552 1.00 0.00 C ATOM 2007 CD2 LEU B 56 -15.041 -14.918 7.650 1.00 0.00 C ATOM 0 H LEU B 56 -17.565 -11.754 7.667 1.00 0.00 H new ATOM 0 HA LEU B 56 -15.421 -11.552 9.669 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.979 -13.863 9.886 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.494 -13.180 9.330 1.00 0.00 H new ATOM 0 HG LEU B 56 -17.158 -15.117 7.992 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.816 -14.242 5.702 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -17.843 -13.157 6.669 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.136 -12.743 6.380 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.035 -15.583 6.786 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -14.316 -14.118 7.497 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.776 -15.482 8.544 1.00 0.00 H new ATOM 2019 N THR B 57 -14.394 -11.628 6.767 1.00 0.00 N ATOM 2020 CA THR B 57 -13.174 -11.789 5.928 1.00 0.00 C ATOM 2021 C THR B 57 -12.342 -10.504 5.949 1.00 0.00 C ATOM 2022 O THR B 57 -12.878 -9.416 5.899 1.00 0.00 O ATOM 2023 CB THR B 57 -13.698 -12.063 4.518 1.00 0.00 C ATOM 2024 OG1 THR B 57 -12.612 -12.423 3.674 1.00 0.00 O ATOM 2025 CG2 THR B 57 -14.377 -10.806 3.971 1.00 0.00 C ATOM 0 H THR B 57 -15.118 -11.029 6.371 1.00 0.00 H new ATOM 0 HA THR B 57 -12.529 -12.590 6.288 1.00 0.00 H new ATOM 0 HB THR B 57 -14.421 -12.878 4.550 1.00 0.00 H new ATOM 0 HG1 THR B 57 -12.047 -11.638 3.516 1.00 0.00 H new ATOM 0 HG21 THR B 57 -14.750 -11.002 2.966 1.00 0.00 H new ATOM 0 HG22 THR B 57 -15.209 -10.530 4.619 1.00 0.00 H new ATOM 0 HG23 THR B 57 -13.657 -9.989 3.937 1.00 0.00 H new ATOM 2033 N PRO B 58 -11.051 -10.679 6.015 1.00 0.00 N ATOM 2034 CA PRO B 58 -10.128 -9.520 6.033 1.00 0.00 C ATOM 2035 C PRO B 58 -10.070 -8.880 4.646 1.00 0.00 C ATOM 2036 O PRO B 58 -9.393 -9.357 3.757 1.00 0.00 O ATOM 2037 CB PRO B 58 -8.784 -10.139 6.408 1.00 0.00 C ATOM 2038 CG PRO B 58 -8.884 -11.569 5.983 1.00 0.00 C ATOM 2039 CD PRO B 58 -10.337 -11.959 6.075 1.00 0.00 C ATOM 0 HA PRO B 58 -10.431 -8.732 6.723 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -7.962 -9.633 5.902 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -8.597 -10.058 7.479 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -8.515 -11.695 4.965 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -8.273 -12.205 6.624 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -10.627 -12.617 5.255 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -10.550 -12.492 7.002 1.00 0.00 H new ATOM 2047 N VAL B 59 -10.787 -7.808 4.449 1.00 0.00 N ATOM 2048 CA VAL B 59 -10.786 -7.145 3.114 1.00 0.00 C ATOM 2049 C VAL B 59 -9.618 -6.164 2.997 1.00 0.00 C ATOM 2050 O VAL B 59 -9.532 -5.195 3.726 1.00 0.00 O ATOM 2051 CB VAL B 59 -12.119 -6.402 3.042 1.00 0.00 C ATOM 2052 CG1 VAL B 59 -12.400 -5.996 1.595 1.00 0.00 C ATOM 2053 CG2 VAL B 59 -13.240 -7.316 3.540 1.00 0.00 C ATOM 0 H VAL B 59 -11.374 -7.362 5.155 1.00 0.00 H new ATOM 0 HA VAL B 59 -10.671 -7.863 2.302 1.00 0.00 H new ATOM 0 HB VAL B 59 -12.071 -5.510 3.667 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -13.351 -5.466 1.544 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -11.602 -5.345 1.238 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -12.447 -6.887 0.970 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -14.191 -6.786 3.489 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -13.287 -8.208 2.915 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -13.041 -7.606 4.572 1.00 0.00 H new ATOM 2063 N THR B 60 -8.724 -6.404 2.077 1.00 0.00 N ATOM 2064 CA THR B 60 -7.567 -5.483 1.901 1.00 0.00 C ATOM 2065 C THR B 60 -7.969 -4.311 1.001 1.00 0.00 C ATOM 2066 O THR B 60 -9.065 -4.269 0.477 1.00 0.00 O ATOM 2067 CB THR B 60 -6.484 -6.328 1.228 1.00 0.00 C ATOM 2068 OG1 THR B 60 -5.292 -5.563 1.111 1.00 0.00 O ATOM 2069 CG2 THR B 60 -6.958 -6.754 -0.162 1.00 0.00 C ATOM 0 H THR B 60 -8.746 -7.200 1.439 1.00 0.00 H new ATOM 0 HA THR B 60 -7.223 -5.062 2.846 1.00 0.00 H new ATOM 0 HB THR B 60 -6.288 -7.215 1.830 1.00 0.00 H new ATOM 0 HG1 THR B 60 -4.597 -6.104 0.681 1.00 0.00 H new ATOM 0 HG21 THR B 60 -6.186 -7.356 -0.641 1.00 0.00 H new ATOM 0 HG22 THR B 60 -7.872 -7.341 -0.071 1.00 0.00 H new ATOM 0 HG23 THR B 60 -7.155 -5.869 -0.766 1.00 0.00 H new ATOM 2077 N LEU B 61 -7.097 -3.359 0.817 1.00 0.00 N ATOM 2078 CA LEU B 61 -7.440 -2.196 -0.049 1.00 0.00 C ATOM 2079 C LEU B 61 -6.436 -2.075 -1.199 1.00 0.00 C ATOM 2080 O LEU B 61 -5.249 -2.271 -1.024 1.00 0.00 O ATOM 2081 CB LEU B 61 -7.350 -0.976 0.870 1.00 0.00 C ATOM 2082 CG LEU B 61 -8.499 -1.010 1.878 1.00 0.00 C ATOM 2083 CD1 LEU B 61 -7.993 -0.546 3.245 1.00 0.00 C ATOM 2084 CD2 LEU B 61 -9.617 -0.076 1.407 1.00 0.00 C ATOM 0 H LEU B 61 -6.164 -3.336 1.228 1.00 0.00 H new ATOM 0 HA LEU B 61 -8.428 -2.296 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -6.394 -0.971 1.393 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -7.396 -0.060 0.281 1.00 0.00 H new ATOM 0 HG LEU B 61 -8.882 -2.027 1.958 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -8.812 -0.570 3.964 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -7.195 -1.208 3.582 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -7.610 0.472 3.165 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -10.437 -0.099 2.125 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -9.232 0.941 1.328 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -9.979 -0.404 0.432 1.00 0.00 H new ATOM 2096 N VAL B 62 -6.902 -1.748 -2.373 1.00 0.00 N ATOM 2097 CA VAL B 62 -5.974 -1.607 -3.532 1.00 0.00 C ATOM 2098 C VAL B 62 -6.367 -0.388 -4.370 1.00 0.00 C ATOM 2099 O VAL B 62 -7.364 0.257 -4.112 1.00 0.00 O ATOM 2100 CB VAL B 62 -6.131 -2.898 -4.339 1.00 0.00 C ATOM 2101 CG1 VAL B 62 -5.572 -4.073 -3.536 1.00 0.00 C ATOM 2102 CG2 VAL B 62 -7.614 -3.144 -4.633 1.00 0.00 C ATOM 0 H VAL B 62 -7.885 -1.572 -2.580 1.00 0.00 H new ATOM 0 HA VAL B 62 -4.941 -1.458 -3.219 1.00 0.00 H new ATOM 0 HB VAL B 62 -5.585 -2.805 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL B 62 -5.684 -4.992 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL B 62 -4.516 -3.902 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL B 62 -6.117 -4.164 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 62 -7.723 -4.064 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL B 62 -8.161 -3.235 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL B 62 -8.015 -2.308 -5.206 1.00 0.00 H new ATOM 2112 N LEU B 63 -5.589 -0.061 -5.364 1.00 0.00 N ATOM 2113 CA LEU B 63 -5.917 1.125 -6.208 1.00 0.00 C ATOM 2114 C LEU B 63 -6.375 0.682 -7.601 1.00 0.00 C ATOM 2115 O LEU B 63 -5.679 -0.029 -8.298 1.00 0.00 O ATOM 2116 CB LEU B 63 -4.611 1.913 -6.297 1.00 0.00 C ATOM 2117 CG LEU B 63 -4.279 2.517 -4.930 1.00 0.00 C ATOM 2118 CD1 LEU B 63 -3.150 3.538 -5.084 1.00 0.00 C ATOM 2119 CD2 LEU B 63 -5.519 3.212 -4.364 1.00 0.00 C ATOM 0 H LEU B 63 -4.741 -0.562 -5.629 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.728 1.719 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.802 1.259 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.702 2.703 -7.042 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.964 1.725 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.913 3.968 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.266 3.045 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.466 4.330 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.283 3.642 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.834 4.004 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.325 2.486 -4.254 1.00 0.00 H new ATOM 2131 N ALA B 64 -7.539 1.100 -8.016 1.00 0.00 N ATOM 2132 CA ALA B 64 -8.035 0.705 -9.365 1.00 0.00 C ATOM 2133 C ALA B 64 -7.059 1.179 -10.445 1.00 0.00 C ATOM 2134 O ALA B 64 -7.027 0.655 -11.541 1.00 0.00 O ATOM 2135 CB ALA B 64 -9.383 1.411 -9.515 1.00 0.00 C ATOM 0 H ALA B 64 -8.168 1.698 -7.480 1.00 0.00 H new ATOM 0 HA ALA B 64 -8.128 -0.376 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -9.814 1.169 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -10.058 1.079 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.240 2.489 -9.440 1.00 0.00 H new ATOM 2141 N GLU B 65 -6.264 2.170 -10.146 1.00 0.00 N ATOM 2142 CA GLU B 65 -5.291 2.678 -11.155 1.00 0.00 C ATOM 2143 C GLU B 65 -3.958 1.937 -11.030 1.00 0.00 C ATOM 2144 O GLU B 65 -3.535 1.243 -11.932 1.00 0.00 O ATOM 2145 CB GLU B 65 -5.114 4.159 -10.824 1.00 0.00 C ATOM 2146 CG GLU B 65 -4.377 4.854 -11.972 1.00 0.00 C ATOM 2147 CD GLU B 65 -5.358 5.138 -13.111 1.00 0.00 C ATOM 2148 OE1 GLU B 65 -6.419 5.672 -12.832 1.00 0.00 O ATOM 2149 OE2 GLU B 65 -5.031 4.818 -14.241 1.00 0.00 O ATOM 0 H GLU B 65 -6.246 2.650 -9.246 1.00 0.00 H new ATOM 0 HA GLU B 65 -5.641 2.527 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU B 65 -6.086 4.626 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU B 65 -4.552 4.271 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU B 65 -3.931 5.785 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU B 65 -3.562 4.225 -12.329 1.00 0.00 H new ATOM 2156 N ASP B 66 -3.291 2.082 -9.917 1.00 0.00 N ATOM 2157 CA ASP B 66 -1.983 1.389 -9.737 1.00 0.00 C ATOM 2158 C ASP B 66 -2.209 -0.036 -9.221 1.00 0.00 C ATOM 2159 O ASP B 66 -1.432 -0.932 -9.483 1.00 0.00 O ATOM 2160 CB ASP B 66 -1.232 2.226 -8.703 1.00 0.00 C ATOM 2161 CG ASP B 66 0.251 1.849 -8.721 1.00 0.00 C ATOM 2162 OD1 ASP B 66 0.941 2.286 -9.627 1.00 0.00 O ATOM 2163 OD2 ASP B 66 0.671 1.130 -7.831 1.00 0.00 O ATOM 0 H ASP B 66 -3.595 2.649 -9.126 1.00 0.00 H new ATOM 0 HA ASP B 66 -1.426 1.303 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -1.351 3.287 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -1.649 2.057 -7.710 1.00 0.00 H new ATOM 2168 N GLY B 67 -3.273 -0.251 -8.496 1.00 0.00 N ATOM 2169 CA GLY B 67 -3.557 -1.617 -7.970 1.00 0.00 C ATOM 2170 C GLY B 67 -2.590 -1.953 -6.834 1.00 0.00 C ATOM 2171 O GLY B 67 -2.348 -3.106 -6.538 1.00 0.00 O ATOM 0 H GLY B 67 -3.959 0.461 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -4.585 -1.671 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -3.460 -2.351 -8.770 1.00 0.00 H new ATOM 2175 N THR B 68 -2.039 -0.963 -6.187 1.00 0.00 N ATOM 2176 CA THR B 68 -1.098 -1.255 -5.067 1.00 0.00 C ATOM 2177 C THR B 68 -1.815 -1.065 -3.729 1.00 0.00 C ATOM 2178 O THR B 68 -2.595 -0.151 -3.557 1.00 0.00 O ATOM 2179 CB THR B 68 0.053 -0.256 -5.219 1.00 0.00 C ATOM 2180 OG1 THR B 68 1.155 -0.688 -4.434 1.00 0.00 O ATOM 2181 CG2 THR B 68 -0.389 1.131 -4.744 1.00 0.00 C ATOM 0 H THR B 68 -2.197 0.026 -6.382 1.00 0.00 H new ATOM 0 HA THR B 68 -0.731 -2.281 -5.093 1.00 0.00 H new ATOM 0 HB THR B 68 0.341 -0.201 -6.269 1.00 0.00 H new ATOM 0 HG1 THR B 68 0.849 -1.343 -3.773 1.00 0.00 H new ATOM 0 HG21 THR B 68 0.436 1.834 -4.856 1.00 0.00 H new ATOM 0 HG22 THR B 68 -1.236 1.467 -5.342 1.00 0.00 H new ATOM 0 HG23 THR B 68 -0.682 1.080 -3.695 1.00 0.00 H new ATOM 2189 N ILE B 69 -1.562 -1.926 -2.784 1.00 0.00 N ATOM 2190 CA ILE B 69 -2.238 -1.796 -1.463 1.00 0.00 C ATOM 2191 C ILE B 69 -1.551 -0.721 -0.621 1.00 0.00 C ATOM 2192 O ILE B 69 -0.341 -0.637 -0.565 1.00 0.00 O ATOM 2193 CB ILE B 69 -2.098 -3.168 -0.805 1.00 0.00 C ATOM 2194 CG1 ILE B 69 -0.621 -3.451 -0.525 1.00 0.00 C ATOM 2195 CG2 ILE B 69 -2.652 -4.243 -1.742 1.00 0.00 C ATOM 2196 CD1 ILE B 69 -0.459 -4.907 -0.087 1.00 0.00 C ATOM 0 H ILE B 69 -0.918 -2.712 -2.868 1.00 0.00 H new ATOM 0 HA ILE B 69 -3.282 -1.500 -1.562 1.00 0.00 H new ATOM 0 HB ILE B 69 -2.655 -3.179 0.132 1.00 0.00 H new ATOM 0 HG12 ILE B 69 -0.027 -3.260 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE B 69 -0.252 -2.782 0.253 1.00 0.00 H new ATOM 0 HG21 ILE B 69 -2.552 -5.222 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE B 69 -3.704 -4.043 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE B 69 -2.095 -4.231 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE B 69 0.593 -5.112 0.113 1.00 0.00 H new ATOM 0 HD12 ILE B 69 -1.041 -5.082 0.818 1.00 0.00 H new ATOM 0 HD13 ILE B 69 -0.813 -5.567 -0.879 1.00 0.00 H new ATOM 2208 N VAL B 70 -2.320 0.103 0.033 1.00 0.00 N ATOM 2209 CA VAL B 70 -1.725 1.179 0.874 1.00 0.00 C ATOM 2210 C VAL B 70 -1.977 0.882 2.355 1.00 0.00 C ATOM 2211 O VAL B 70 -3.048 1.127 2.873 1.00 0.00 O ATOM 2212 CB VAL B 70 -2.452 2.453 0.444 1.00 0.00 C ATOM 2213 CG1 VAL B 70 -1.978 3.630 1.296 1.00 0.00 C ATOM 2214 CG2 VAL B 70 -2.149 2.736 -1.029 1.00 0.00 C ATOM 0 H VAL B 70 -3.340 0.078 0.021 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.646 1.265 0.748 1.00 0.00 H new ATOM 0 HB VAL B 70 -3.525 2.320 0.579 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -2.499 4.536 0.986 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -2.192 3.429 2.346 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.904 3.765 1.164 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.666 3.644 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -1.075 2.867 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.490 1.899 -1.638 1.00 0.00 H new ATOM 2224 N ASP B 71 -1.001 0.347 3.038 1.00 0.00 N ATOM 2225 CA ASP B 71 -1.188 0.026 4.482 1.00 0.00 C ATOM 2226 C ASP B 71 -1.137 1.301 5.327 1.00 0.00 C ATOM 2227 O ASP B 71 -1.231 1.259 6.538 1.00 0.00 O ATOM 2228 CB ASP B 71 -0.020 -0.896 4.835 1.00 0.00 C ATOM 2229 CG ASP B 71 -0.560 -2.207 5.410 1.00 0.00 C ATOM 2230 OD1 ASP B 71 -0.881 -3.087 4.628 1.00 0.00 O ATOM 2231 OD2 ASP B 71 -0.644 -2.308 6.623 1.00 0.00 O ATOM 0 H ASP B 71 -0.082 0.118 2.658 1.00 0.00 H new ATOM 0 HA ASP B 71 -2.154 -0.440 4.676 1.00 0.00 H new ATOM 0 HB2 ASP B 71 0.580 -1.096 3.947 1.00 0.00 H new ATOM 0 HB3 ASP B 71 0.634 -0.411 5.560 1.00 0.00 H new ATOM 2236 N ASP B 72 -0.988 2.435 4.700 1.00 0.00 N ATOM 2237 CA ASP B 72 -0.929 3.710 5.470 1.00 0.00 C ATOM 2238 C ASP B 72 -1.937 4.717 4.908 1.00 0.00 C ATOM 2239 O ASP B 72 -2.194 4.757 3.722 1.00 0.00 O ATOM 2240 CB ASP B 72 0.500 4.217 5.279 1.00 0.00 C ATOM 2241 CG ASP B 72 1.472 3.299 6.022 1.00 0.00 C ATOM 2242 OD1 ASP B 72 1.840 2.280 5.462 1.00 0.00 O ATOM 2243 OD2 ASP B 72 1.833 3.631 7.140 1.00 0.00 O ATOM 0 H ASP B 72 -0.905 2.534 3.688 1.00 0.00 H new ATOM 0 HA ASP B 72 -1.177 3.570 6.522 1.00 0.00 H new ATOM 0 HB2 ASP B 72 0.748 4.244 4.218 1.00 0.00 H new ATOM 0 HB3 ASP B 72 0.588 5.237 5.654 1.00 0.00 H new ATOM 2248 N ASP B 73 -2.507 5.535 5.753 1.00 0.00 N ATOM 2249 CA ASP B 73 -3.493 6.544 5.267 1.00 0.00 C ATOM 2250 C ASP B 73 -2.801 7.555 4.350 1.00 0.00 C ATOM 2251 O ASP B 73 -3.439 8.368 3.712 1.00 0.00 O ATOM 2252 CB ASP B 73 -4.009 7.232 6.531 1.00 0.00 C ATOM 2253 CG ASP B 73 -2.828 7.793 7.325 1.00 0.00 C ATOM 2254 OD1 ASP B 73 -1.726 7.771 6.803 1.00 0.00 O ATOM 2255 OD2 ASP B 73 -3.046 8.233 8.442 1.00 0.00 O ATOM 0 H ASP B 73 -2.333 5.548 6.758 1.00 0.00 H new ATOM 0 HA ASP B 73 -4.300 6.092 4.691 1.00 0.00 H new ATOM 0 HB2 ASP B 73 -4.697 8.035 6.266 1.00 0.00 H new ATOM 0 HB3 ASP B 73 -4.567 6.523 7.142 1.00 0.00 H new ATOM 2260 N ASP B 74 -1.498 7.510 4.287 1.00 0.00 N ATOM 2261 CA ASP B 74 -0.748 8.461 3.418 1.00 0.00 C ATOM 2262 C ASP B 74 -1.479 8.672 2.089 1.00 0.00 C ATOM 2263 O ASP B 74 -2.139 9.671 1.883 1.00 0.00 O ATOM 2264 CB ASP B 74 0.600 7.785 3.182 1.00 0.00 C ATOM 2265 CG ASP B 74 1.411 7.789 4.481 1.00 0.00 C ATOM 2266 OD1 ASP B 74 1.567 8.854 5.055 1.00 0.00 O ATOM 2267 OD2 ASP B 74 1.861 6.728 4.877 1.00 0.00 O ATOM 0 H ASP B 74 -0.917 6.850 4.804 1.00 0.00 H new ATOM 0 HA ASP B 74 -0.646 9.445 3.876 1.00 0.00 H new ATOM 0 HB2 ASP B 74 0.450 6.762 2.838 1.00 0.00 H new ATOM 0 HB3 ASP B 74 1.148 8.307 2.398 1.00 0.00 H new ATOM 2272 N TYR B 75 -1.366 7.739 1.184 1.00 0.00 N ATOM 2273 CA TYR B 75 -2.048 7.880 -0.127 1.00 0.00 C ATOM 2274 C TYR B 75 -3.564 7.971 0.065 1.00 0.00 C ATOM 2275 O TYR B 75 -4.249 8.665 -0.660 1.00 0.00 O ATOM 2276 CB TYR B 75 -1.670 6.611 -0.884 1.00 0.00 C ATOM 2277 CG TYR B 75 -0.493 6.891 -1.787 1.00 0.00 C ATOM 2278 CD1 TYR B 75 -0.523 7.989 -2.656 1.00 0.00 C ATOM 2279 CD2 TYR B 75 0.625 6.051 -1.760 1.00 0.00 C ATOM 2280 CE1 TYR B 75 0.568 8.246 -3.496 1.00 0.00 C ATOM 2281 CE2 TYR B 75 1.715 6.308 -2.598 1.00 0.00 C ATOM 2282 CZ TYR B 75 1.687 7.405 -3.468 1.00 0.00 C ATOM 2283 OH TYR B 75 2.761 7.658 -4.296 1.00 0.00 O ATOM 0 H TYR B 75 -0.827 6.881 1.300 1.00 0.00 H new ATOM 0 HA TYR B 75 -1.753 8.784 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR B 75 -1.421 5.817 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR B 75 -2.518 6.261 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR B 75 -1.387 8.637 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR B 75 0.647 5.203 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR B 75 0.546 9.093 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.579 5.660 -2.574 1.00 0.00 H new ATOM 0 HH TYR B 75 3.288 6.839 -4.407 1.00 0.00 H new ATOM 2293 N PHE B 76 -4.092 7.281 1.038 1.00 0.00 N ATOM 2294 CA PHE B 76 -5.564 7.336 1.272 1.00 0.00 C ATOM 2295 C PHE B 76 -6.003 8.782 1.515 1.00 0.00 C ATOM 2296 O PHE B 76 -7.134 9.148 1.263 1.00 0.00 O ATOM 2297 CB PHE B 76 -5.799 6.486 2.520 1.00 0.00 C ATOM 2298 CG PHE B 76 -7.268 6.503 2.869 1.00 0.00 C ATOM 2299 CD1 PHE B 76 -8.219 6.133 1.910 1.00 0.00 C ATOM 2300 CD2 PHE B 76 -7.680 6.889 4.149 1.00 0.00 C ATOM 2301 CE1 PHE B 76 -9.581 6.150 2.231 1.00 0.00 C ATOM 2302 CE2 PHE B 76 -9.042 6.905 4.472 1.00 0.00 C ATOM 2303 CZ PHE B 76 -9.993 6.536 3.512 1.00 0.00 C ATOM 0 H PHE B 76 -3.571 6.683 1.679 1.00 0.00 H new ATOM 0 HA PHE B 76 -6.134 6.969 0.418 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -5.468 5.463 2.344 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -5.212 6.873 3.353 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.901 5.834 0.922 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -6.947 7.175 4.889 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -10.314 5.865 1.491 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.359 7.202 5.461 1.00 0.00 H new ATOM 0 HZ PHE B 76 -11.044 6.549 3.760 1.00 0.00 H new ATOM 2313 N LEU B 77 -5.117 9.606 2.003 1.00 0.00 N ATOM 2314 CA LEU B 77 -5.483 11.028 2.263 1.00 0.00 C ATOM 2315 C LEU B 77 -4.858 11.938 1.202 1.00 0.00 C ATOM 2316 O LEU B 77 -5.382 12.988 0.884 1.00 0.00 O ATOM 2317 CB LEU B 77 -4.908 11.340 3.645 1.00 0.00 C ATOM 2318 CG LEU B 77 -5.726 10.615 4.714 1.00 0.00 C ATOM 2319 CD1 LEU B 77 -5.079 10.826 6.085 1.00 0.00 C ATOM 2320 CD2 LEU B 77 -7.150 11.176 4.733 1.00 0.00 C ATOM 0 H LEU B 77 -4.155 9.357 2.233 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.560 11.190 2.225 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -3.865 11.027 3.696 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -4.927 12.415 3.824 1.00 0.00 H new ATOM 0 HG LEU B 77 -5.756 9.549 4.486 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -5.663 10.309 6.846 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.064 10.428 6.074 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -5.048 11.891 6.313 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -7.734 10.660 5.495 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -7.118 12.242 4.960 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -7.613 11.027 3.758 1.00 0.00 H new ATOM 2332 N CYS B 78 -3.743 11.543 0.651 1.00 0.00 N ATOM 2333 CA CYS B 78 -3.086 12.388 -0.389 1.00 0.00 C ATOM 2334 C CYS B 78 -3.995 12.516 -1.614 1.00 0.00 C ATOM 2335 O CYS B 78 -3.827 13.397 -2.435 1.00 0.00 O ATOM 2336 CB CYS B 78 -1.801 11.644 -0.751 1.00 0.00 C ATOM 2337 SG CYS B 78 -0.797 12.673 -1.850 1.00 0.00 S ATOM 0 H CYS B 78 -3.259 10.674 0.875 1.00 0.00 H new ATOM 0 HA CYS B 78 -2.884 13.399 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS B 78 -1.240 11.404 0.152 1.00 0.00 H new ATOM 0 HB3 CYS B 78 -2.040 10.699 -1.238 1.00 0.00 H new ATOM 0 HG CYS B 78 -1.575 13.405 -2.590 1.00 0.00 H new ATOM 2343 N LEU B 79 -4.957 11.645 -1.743 1.00 0.00 N ATOM 2344 CA LEU B 79 -5.876 11.716 -2.915 1.00 0.00 C ATOM 2345 C LEU B 79 -6.987 12.737 -2.652 1.00 0.00 C ATOM 2346 O LEU B 79 -7.197 13.150 -1.529 1.00 0.00 O ATOM 2347 CB LEU B 79 -6.457 10.309 -3.048 1.00 0.00 C ATOM 2348 CG LEU B 79 -5.355 9.343 -3.485 1.00 0.00 C ATOM 2349 CD1 LEU B 79 -5.975 7.998 -3.867 1.00 0.00 C ATOM 2350 CD2 LEU B 79 -4.618 9.925 -4.693 1.00 0.00 C ATOM 0 H LEU B 79 -5.147 10.887 -1.088 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.365 12.031 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -6.881 9.988 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -7.268 10.306 -3.776 1.00 0.00 H new ATOM 0 HG LEU B 79 -4.653 9.198 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -5.189 7.310 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -6.501 7.583 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -6.678 8.141 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.832 9.237 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -5.321 10.070 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.175 10.883 -4.422 1.00 0.00 H new ATOM 2362 N PRO B 80 -7.661 13.109 -3.705 1.00 0.00 N ATOM 2363 CA PRO B 80 -8.765 14.094 -3.593 1.00 0.00 C ATOM 2364 C PRO B 80 -9.979 13.464 -2.907 1.00 0.00 C ATOM 2365 O PRO B 80 -9.999 12.284 -2.618 1.00 0.00 O ATOM 2366 CB PRO B 80 -9.078 14.446 -5.045 1.00 0.00 C ATOM 2367 CG PRO B 80 -8.617 13.265 -5.838 1.00 0.00 C ATOM 2368 CD PRO B 80 -7.465 12.653 -5.085 1.00 0.00 C ATOM 0 HA PRO B 80 -8.502 14.967 -2.996 1.00 0.00 H new ATOM 0 HB2 PRO B 80 -10.144 14.625 -5.187 1.00 0.00 H new ATOM 0 HB3 PRO B 80 -8.559 15.354 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO B 80 -9.425 12.543 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO B 80 -8.307 13.569 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO B 80 -7.478 11.565 -5.151 1.00 0.00 H new ATOM 0 HD3 PRO B 80 -6.506 12.986 -5.483 1.00 0.00 H new ATOM 2376 N SER B 81 -10.992 14.244 -2.642 1.00 0.00 N ATOM 2377 CA SER B 81 -12.204 13.691 -1.973 1.00 0.00 C ATOM 2378 C SER B 81 -12.810 12.585 -2.830 1.00 0.00 C ATOM 2379 O SER B 81 -13.081 11.494 -2.368 1.00 0.00 O ATOM 2380 CB SER B 81 -13.171 14.868 -1.896 1.00 0.00 C ATOM 2381 OG SER B 81 -14.197 14.575 -0.956 1.00 0.00 O ATOM 0 H SER B 81 -11.033 15.240 -2.860 1.00 0.00 H new ATOM 0 HA SER B 81 -11.981 13.266 -0.994 1.00 0.00 H new ATOM 0 HB2 SER B 81 -12.638 15.772 -1.600 1.00 0.00 H new ATOM 0 HB3 SER B 81 -13.605 15.061 -2.877 1.00 0.00 H new ATOM 0 HG SER B 81 -14.818 15.331 -0.904 1.00 0.00 H new ATOM 2387 N ASN B 82 -13.024 12.868 -4.081 1.00 0.00 N ATOM 2388 CA ASN B 82 -13.616 11.847 -4.991 1.00 0.00 C ATOM 2389 C ASN B 82 -12.542 10.856 -5.449 1.00 0.00 C ATOM 2390 O ASN B 82 -11.771 11.132 -6.348 1.00 0.00 O ATOM 2391 CB ASN B 82 -14.156 12.642 -6.180 1.00 0.00 C ATOM 2392 CG ASN B 82 -14.820 11.686 -7.173 1.00 0.00 C ATOM 2393 OD1 ASN B 82 -15.672 10.902 -6.803 1.00 0.00 O ATOM 2394 ND2 ASN B 82 -14.466 11.719 -8.428 1.00 0.00 N ATOM 0 H ASN B 82 -12.814 13.766 -4.517 1.00 0.00 H new ATOM 0 HA ASN B 82 -14.396 11.263 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN B 82 -14.876 13.385 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN B 82 -13.345 13.184 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN B 82 -14.904 11.087 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN B 82 -13.751 12.377 -8.739 1.00 0.00 H new ATOM 2401 N THR B 83 -12.488 9.704 -4.839 1.00 0.00 N ATOM 2402 CA THR B 83 -11.468 8.692 -5.238 1.00 0.00 C ATOM 2403 C THR B 83 -12.101 7.297 -5.272 1.00 0.00 C ATOM 2404 O THR B 83 -12.969 6.981 -4.482 1.00 0.00 O ATOM 2405 CB THR B 83 -10.385 8.768 -4.160 1.00 0.00 C ATOM 2406 OG1 THR B 83 -9.351 7.842 -4.464 1.00 0.00 O ATOM 2407 CG2 THR B 83 -10.992 8.431 -2.799 1.00 0.00 C ATOM 0 H THR B 83 -13.107 9.419 -4.080 1.00 0.00 H new ATOM 0 HA THR B 83 -11.061 8.882 -6.231 1.00 0.00 H new ATOM 0 HB THR B 83 -9.972 9.776 -4.130 1.00 0.00 H new ATOM 0 HG1 THR B 83 -9.570 6.969 -4.077 1.00 0.00 H new ATOM 0 HG21 THR B 83 -10.219 8.486 -2.032 1.00 0.00 H new ATOM 0 HG22 THR B 83 -11.784 9.143 -2.567 1.00 0.00 H new ATOM 0 HG23 THR B 83 -11.407 7.423 -2.825 1.00 0.00 H new ATOM 2415 N LYS B 84 -11.683 6.465 -6.186 1.00 0.00 N ATOM 2416 CA LYS B 84 -12.269 5.100 -6.278 1.00 0.00 C ATOM 2417 C LYS B 84 -11.324 4.062 -5.663 1.00 0.00 C ATOM 2418 O LYS B 84 -10.131 4.077 -5.897 1.00 0.00 O ATOM 2419 CB LYS B 84 -12.429 4.853 -7.777 1.00 0.00 C ATOM 2420 CG LYS B 84 -13.061 6.083 -8.432 1.00 0.00 C ATOM 2421 CD LYS B 84 -13.480 5.742 -9.863 1.00 0.00 C ATOM 2422 CE LYS B 84 -14.272 6.911 -10.455 1.00 0.00 C ATOM 2423 NZ LYS B 84 -13.247 7.789 -11.082 1.00 0.00 N ATOM 0 H LYS B 84 -10.959 6.673 -6.874 1.00 0.00 H new ATOM 0 HA LYS B 84 -13.212 5.019 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -11.458 4.646 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -13.053 3.976 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -13.927 6.410 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -12.351 6.910 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -12.599 5.540 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -14.087 4.837 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -14.998 6.564 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -14.829 7.442 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -13.712 8.614 -11.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -12.573 8.109 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -12.738 7.258 -11.817 1.00 0.00 H new ATOM 2437 N PHE B 85 -11.852 3.158 -4.882 1.00 0.00 N ATOM 2438 CA PHE B 85 -10.995 2.114 -4.252 1.00 0.00 C ATOM 2439 C PHE B 85 -11.644 0.736 -4.397 1.00 0.00 C ATOM 2440 O PHE B 85 -12.785 0.614 -4.797 1.00 0.00 O ATOM 2441 CB PHE B 85 -10.910 2.510 -2.780 1.00 0.00 C ATOM 2442 CG PHE B 85 -9.784 3.496 -2.583 1.00 0.00 C ATOM 2443 CD1 PHE B 85 -10.023 4.871 -2.708 1.00 0.00 C ATOM 2444 CD2 PHE B 85 -8.499 3.035 -2.273 1.00 0.00 C ATOM 2445 CE1 PHE B 85 -8.977 5.782 -2.524 1.00 0.00 C ATOM 2446 CE2 PHE B 85 -7.453 3.947 -2.089 1.00 0.00 C ATOM 2447 CZ PHE B 85 -7.691 5.321 -2.214 1.00 0.00 C ATOM 0 H PHE B 85 -12.844 3.098 -4.653 1.00 0.00 H new ATOM 0 HA PHE B 85 -10.011 2.052 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -11.853 2.951 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -10.744 1.626 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -11.014 5.228 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE B 85 -8.315 1.975 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -9.161 6.842 -2.621 1.00 0.00 H new ATOM 0 HE2 PHE B 85 -6.462 3.590 -1.850 1.00 0.00 H new ATOM 0 HZ PHE B 85 -6.884 6.025 -2.072 1.00 0.00 H new ATOM 2457 N VAL B 86 -10.926 -0.304 -4.069 1.00 0.00 N ATOM 2458 CA VAL B 86 -11.501 -1.677 -4.183 1.00 0.00 C ATOM 2459 C VAL B 86 -11.061 -2.534 -2.992 1.00 0.00 C ATOM 2460 O VAL B 86 -9.930 -2.468 -2.552 1.00 0.00 O ATOM 2461 CB VAL B 86 -10.937 -2.237 -5.487 1.00 0.00 C ATOM 2462 CG1 VAL B 86 -11.262 -3.728 -5.585 1.00 0.00 C ATOM 2463 CG2 VAL B 86 -11.566 -1.500 -6.673 1.00 0.00 C ATOM 0 H VAL B 86 -9.966 -0.263 -3.727 1.00 0.00 H new ATOM 0 HA VAL B 86 -12.591 -1.670 -4.183 1.00 0.00 H new ATOM 0 HB VAL B 86 -9.856 -2.099 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.859 -4.128 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -10.816 -4.254 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.343 -3.867 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.164 -1.899 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -12.647 -1.639 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -11.335 -0.437 -6.604 1.00 0.00 H new ATOM 2473 N ALA B 87 -11.945 -3.338 -2.466 1.00 0.00 N ATOM 2474 CA ALA B 87 -11.573 -4.197 -1.303 1.00 0.00 C ATOM 2475 C ALA B 87 -11.800 -5.675 -1.637 1.00 0.00 C ATOM 2476 O ALA B 87 -12.875 -6.072 -2.040 1.00 0.00 O ATOM 2477 CB ALA B 87 -12.503 -3.755 -0.173 1.00 0.00 C ATOM 0 H ALA B 87 -12.907 -3.438 -2.790 1.00 0.00 H new ATOM 0 HA ALA B 87 -10.522 -4.092 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA B 87 -12.293 -4.341 0.722 1.00 0.00 H new ATOM 0 HB2 ALA B 87 -12.341 -2.698 0.039 1.00 0.00 H new ATOM 0 HB3 ALA B 87 -13.539 -3.910 -0.473 1.00 0.00 H new ATOM 2483 N LEU B 88 -10.795 -6.493 -1.472 1.00 0.00 N ATOM 2484 CA LEU B 88 -10.956 -7.943 -1.779 1.00 0.00 C ATOM 2485 C LEU B 88 -11.518 -8.684 -0.566 1.00 0.00 C ATOM 2486 O LEU B 88 -10.879 -8.802 0.459 1.00 0.00 O ATOM 2487 CB LEU B 88 -9.551 -8.442 -2.094 1.00 0.00 C ATOM 2488 CG LEU B 88 -9.049 -7.799 -3.389 1.00 0.00 C ATOM 2489 CD1 LEU B 88 -10.140 -7.875 -4.460 1.00 0.00 C ATOM 2490 CD2 LEU B 88 -8.696 -6.335 -3.128 1.00 0.00 C ATOM 0 H LEU B 88 -9.871 -6.220 -1.138 1.00 0.00 H new ATOM 0 HA LEU B 88 -11.647 -8.110 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -8.877 -8.200 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -9.555 -9.527 -2.194 1.00 0.00 H new ATOM 0 HG LEU B 88 -8.164 -8.332 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -9.779 -7.416 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -10.392 -8.918 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -11.027 -7.345 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -8.338 -5.877 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -9.581 -5.804 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -7.916 -6.279 -2.369 1.00 0.00 H new ATOM 2502 N ALA B 89 -12.705 -9.194 -0.690 1.00 0.00 N ATOM 2503 CA ALA B 89 -13.326 -9.947 0.437 1.00 0.00 C ATOM 2504 C ALA B 89 -12.762 -11.366 0.474 1.00 0.00 C ATOM 2505 O ALA B 89 -11.838 -11.683 -0.247 1.00 0.00 O ATOM 2506 CB ALA B 89 -14.823 -9.972 0.127 1.00 0.00 C ATOM 0 H ALA B 89 -13.280 -9.123 -1.529 1.00 0.00 H new ATOM 0 HA ALA B 89 -13.125 -9.490 1.406 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -15.349 -10.511 0.915 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -15.200 -8.951 0.072 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -14.989 -10.472 -0.827 1.00 0.00 H new ATOM 2512 N SER B 90 -13.305 -12.214 1.314 1.00 0.00 N ATOM 2513 CA SER B 90 -12.802 -13.621 1.402 1.00 0.00 C ATOM 2514 C SER B 90 -12.361 -14.111 0.019 1.00 0.00 C ATOM 2515 O SER B 90 -11.430 -14.879 -0.111 1.00 0.00 O ATOM 2516 CB SER B 90 -13.992 -14.436 1.906 1.00 0.00 C ATOM 2517 OG SER B 90 -13.552 -15.742 2.253 1.00 0.00 O ATOM 0 H SER B 90 -14.076 -11.992 1.944 1.00 0.00 H new ATOM 0 HA SER B 90 -11.939 -13.712 2.061 1.00 0.00 H new ATOM 0 HB2 SER B 90 -14.441 -13.949 2.772 1.00 0.00 H new ATOM 0 HB3 SER B 90 -14.762 -14.491 1.136 1.00 0.00 H new ATOM 0 HG SER B 90 -14.220 -16.399 1.967 1.00 0.00 H new ATOM 2523 N ASN B 91 -13.010 -13.648 -1.015 1.00 0.00 N ATOM 2524 CA ASN B 91 -12.614 -14.063 -2.389 1.00 0.00 C ATOM 2525 C ASN B 91 -11.411 -13.229 -2.838 1.00 0.00 C ATOM 2526 O ASN B 91 -11.545 -12.084 -3.227 1.00 0.00 O ATOM 2527 CB ASN B 91 -13.835 -13.769 -3.263 1.00 0.00 C ATOM 2528 CG ASN B 91 -13.527 -14.141 -4.716 1.00 0.00 C ATOM 2529 OD1 ASN B 91 -14.112 -13.598 -5.631 1.00 0.00 O ATOM 2530 ND2 ASN B 91 -12.627 -15.052 -4.968 1.00 0.00 N ATOM 0 H ASN B 91 -13.797 -13.001 -0.967 1.00 0.00 H new ATOM 0 HA ASN B 91 -12.326 -15.113 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN B 91 -14.695 -14.335 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN B 91 -14.098 -12.713 -3.195 1.00 0.00 H new ATOM 0 HD21 ASN B 91 -12.416 -15.307 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN B 91 -12.135 -15.509 -4.200 1.00 0.00 H new ATOM 2537 N GLU B 92 -10.233 -13.789 -2.771 1.00 0.00 N ATOM 2538 CA GLU B 92 -9.007 -13.040 -3.173 1.00 0.00 C ATOM 2539 C GLU B 92 -9.041 -12.617 -4.651 1.00 0.00 C ATOM 2540 O GLU B 92 -8.122 -11.984 -5.133 1.00 0.00 O ATOM 2541 CB GLU B 92 -7.867 -14.023 -2.929 1.00 0.00 C ATOM 2542 CG GLU B 92 -7.918 -14.521 -1.483 1.00 0.00 C ATOM 2543 CD GLU B 92 -6.552 -15.084 -1.087 1.00 0.00 C ATOM 2544 OE1 GLU B 92 -5.572 -14.376 -1.246 1.00 0.00 O ATOM 2545 OE2 GLU B 92 -6.510 -16.215 -0.633 1.00 0.00 O ATOM 0 H GLU B 92 -10.066 -14.743 -2.452 1.00 0.00 H new ATOM 0 HA GLU B 92 -8.905 -12.114 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU B 92 -7.946 -14.865 -3.617 1.00 0.00 H new ATOM 0 HB3 GLU B 92 -6.909 -13.540 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU B 92 -8.194 -13.704 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU B 92 -8.684 -15.290 -1.379 1.00 0.00 H new ATOM 2552 N LYS B 93 -10.072 -12.956 -5.382 1.00 0.00 N ATOM 2553 CA LYS B 93 -10.123 -12.563 -6.821 1.00 0.00 C ATOM 2554 C LYS B 93 -9.910 -11.053 -6.968 1.00 0.00 C ATOM 2555 O LYS B 93 -10.847 -10.280 -6.998 1.00 0.00 O ATOM 2556 CB LYS B 93 -11.526 -12.954 -7.286 1.00 0.00 C ATOM 2557 CG LYS B 93 -11.647 -12.736 -8.795 1.00 0.00 C ATOM 2558 CD LYS B 93 -13.113 -12.872 -9.213 1.00 0.00 C ATOM 2559 CE LYS B 93 -13.370 -14.292 -9.721 1.00 0.00 C ATOM 2560 NZ LYS B 93 -13.390 -15.141 -8.498 1.00 0.00 N ATOM 0 H LYS B 93 -10.877 -13.485 -5.046 1.00 0.00 H new ATOM 0 HA LYS B 93 -9.346 -13.050 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -11.723 -13.998 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -12.273 -12.358 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -11.272 -11.748 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -11.036 -13.464 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -13.765 -12.654 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -13.349 -12.147 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -14.316 -14.353 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.589 -14.612 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -14.109 -15.885 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.456 -15.579 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.618 -14.553 -7.671 1.00 0.00 H new ATOM 2574 N TRP B 94 -8.677 -10.631 -7.057 1.00 0.00 N ATOM 2575 CA TRP B 94 -8.381 -9.178 -7.197 1.00 0.00 C ATOM 2576 C TRP B 94 -8.055 -8.845 -8.658 1.00 0.00 C ATOM 2577 O TRP B 94 -7.795 -9.721 -9.458 1.00 0.00 O ATOM 2578 CB TRP B 94 -7.162 -8.952 -6.301 1.00 0.00 C ATOM 2579 CG TRP B 94 -6.640 -7.563 -6.486 1.00 0.00 C ATOM 2580 CD1 TRP B 94 -7.346 -6.429 -6.275 1.00 0.00 C ATOM 2581 CD2 TRP B 94 -5.309 -7.145 -6.905 1.00 0.00 C ATOM 2582 NE1 TRP B 94 -6.534 -5.341 -6.545 1.00 0.00 N ATOM 2583 CE2 TRP B 94 -5.269 -5.732 -6.935 1.00 0.00 C ATOM 2584 CE3 TRP B 94 -4.144 -7.850 -7.261 1.00 0.00 C ATOM 2585 CZ2 TRP B 94 -4.114 -5.041 -7.304 1.00 0.00 C ATOM 2586 CZ3 TRP B 94 -2.981 -7.157 -7.632 1.00 0.00 C ATOM 2587 CH2 TRP B 94 -2.965 -5.756 -7.654 1.00 0.00 C ATOM 0 H TRP B 94 -7.857 -11.237 -7.038 1.00 0.00 H new ATOM 0 HA TRP B 94 -9.222 -8.545 -6.914 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -7.433 -9.111 -5.257 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -6.384 -9.677 -6.542 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -8.375 -6.380 -5.949 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -6.834 -4.369 -6.465 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -4.145 -8.930 -7.249 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -4.108 -3.961 -7.319 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -2.092 -7.708 -7.902 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -2.067 -5.230 -7.941 1.00 0.00 H new ATOM 2598 N ALA B 95 -8.068 -7.588 -9.011 1.00 0.00 N ATOM 2599 CA ALA B 95 -7.761 -7.207 -10.420 1.00 0.00 C ATOM 2600 C ALA B 95 -6.277 -6.853 -10.562 1.00 0.00 C ATOM 2601 O ALA B 95 -5.835 -5.804 -10.137 1.00 0.00 O ATOM 2602 CB ALA B 95 -8.633 -5.981 -10.695 1.00 0.00 C ATOM 0 H ALA B 95 -8.278 -6.810 -8.386 1.00 0.00 H new ATOM 0 HA ALA B 95 -7.962 -8.017 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA B 95 -8.466 -5.637 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA B 95 -9.683 -6.246 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA B 95 -8.373 -5.185 -9.997 1.00 0.00 H new ATOM 2608 N TYR B 96 -5.506 -7.721 -11.158 1.00 0.00 N ATOM 2609 CA TYR B 96 -4.053 -7.436 -11.328 1.00 0.00 C ATOM 2610 C TYR B 96 -3.751 -7.094 -12.790 1.00 0.00 C ATOM 2611 O TYR B 96 -4.080 -7.838 -13.692 1.00 0.00 O ATOM 2612 CB TYR B 96 -3.347 -8.731 -10.922 1.00 0.00 C ATOM 2613 CG TYR B 96 -1.854 -8.567 -11.080 1.00 0.00 C ATOM 2614 CD1 TYR B 96 -1.178 -7.572 -10.363 1.00 0.00 C ATOM 2615 CD2 TYR B 96 -1.146 -9.413 -11.942 1.00 0.00 C ATOM 2616 CE1 TYR B 96 0.206 -7.423 -10.510 1.00 0.00 C ATOM 2617 CE2 TYR B 96 0.239 -9.263 -12.088 1.00 0.00 C ATOM 2618 CZ TYR B 96 0.915 -8.268 -11.372 1.00 0.00 C ATOM 2619 OH TYR B 96 2.279 -8.122 -11.515 1.00 0.00 O ATOM 0 H TYR B 96 -5.820 -8.616 -11.535 1.00 0.00 H new ATOM 0 HA TYR B 96 -3.723 -6.587 -10.729 1.00 0.00 H new ATOM 0 HB2 TYR B 96 -3.588 -8.979 -9.888 1.00 0.00 H new ATOM 0 HB3 TYR B 96 -3.699 -9.558 -11.539 1.00 0.00 H new ATOM 0 HD1 TYR B 96 -1.724 -6.920 -9.697 1.00 0.00 H new ATOM 0 HD2 TYR B 96 -1.667 -10.181 -12.494 1.00 0.00 H new ATOM 0 HE1 TYR B 96 0.727 -6.655 -9.958 1.00 0.00 H new ATOM 0 HE2 TYR B 96 0.785 -9.915 -12.753 1.00 0.00 H new ATOM 0 HH TYR B 96 2.615 -8.789 -12.150 1.00 0.00 H new