USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1122 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HE2:sc= 0.522 K(o=2.3,f=-13!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.79 K(o=2.3,f=-14!) USER MOD Set 2.1: B 9 HIS : no HD1:sc= 0.00379 K(o=1.1,f=-1.4!) USER MOD Set 2.2: B 37 HIS : no HD1:sc= 0.358 K(o=1.1,f=-1.6) USER MOD Set 2.3: B 40 THR OG1 : rot 57:sc= 0.738 USER MOD Set 3.1: A 69 ASN : amide:sc= 1.18 K(o=-0.065,f=-14!) USER MOD Set 3.2: B 67 HIS : no HE2:sc= -1.24! C(o=-0.065!,f=-11!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= 0.249 K(o=-1.5,f=-8!) USER MOD Set 4.2: A 15 CYS SG : rot -37:sc= -1.77! USER MOD Single : A 3 SER OG : rot -160:sc= 1.29 USER MOD Single : A 4 LYS NZ :NH3+ 149:sc= 0.396 (180deg=-0.0952) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.755 K(o=0.76,f=-0.63) USER MOD Single : A 24 ASN : amide:sc= -0.0709 X(o=-0.071,f=-0.12!) USER MOD Single : A 29 SER OG : rot -27:sc= 0.0703 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.77 (180deg=1.43) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 108:sc= 0.259 USER MOD Single : A 37 HIS : no HD1:sc= 0.199 K(o=0.2,f=-1.6) USER MOD Single : A 40 THR OG1 : rot -21:sc= 0.728 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.118 (180deg=-0.551) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 1.33 (180deg=1.16) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0299 (180deg=-0.237) USER MOD Single : A 55 SER OG : rot -150:sc= 0.315 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 2.45 (180deg=2.34) USER MOD Single : B 3 SER OG : rot 180:sc= 0.00126 USER MOD Single : B 4 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.17) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 CYS SG : rot 180:sc= -0.194 USER MOD Single : B 15 CYS SG : rot -77:sc= -10.5! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 SER OG : rot 92:sc= 0.0132 USER MOD Single : B 30 LYS NZ :NH3+ -165:sc= 1.06 (180deg=-0.158) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : B 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0406) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ -162:sc= -0.0773 (180deg=-0.452) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ -152:sc= 1.59 (180deg=0.691!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 30.752 16.052 -9.928 1.00 0.00 N ATOM 20 CA ALA A 2 29.381 15.883 -9.494 1.00 0.00 C ATOM 21 C ALA A 2 29.266 16.288 -8.034 1.00 0.00 C ATOM 22 O ALA A 2 30.179 16.031 -7.245 1.00 0.00 O ATOM 23 CB ALA A 2 28.931 14.442 -9.691 1.00 0.00 C ATOM 0 HA ALA A 2 28.731 16.519 -10.095 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.898 14.335 -9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 2 29.002 14.180 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.570 13.778 -9.108 1.00 0.00 H new ATOM 29 N SER A 3 28.172 16.940 -7.679 1.00 0.00 N ATOM 30 CA SER A 3 27.961 17.361 -6.307 1.00 0.00 C ATOM 31 C SER A 3 27.782 16.148 -5.404 1.00 0.00 C ATOM 32 O SER A 3 27.235 15.123 -5.823 1.00 0.00 O ATOM 33 CB SER A 3 26.756 18.295 -6.220 1.00 0.00 C ATOM 34 OG SER A 3 25.679 17.821 -7.012 1.00 0.00 O ATOM 0 H SER A 3 27.419 17.188 -8.321 1.00 0.00 H new ATOM 0 HA SER A 3 28.839 17.909 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.436 18.383 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.042 19.293 -6.551 1.00 0.00 H new ATOM 0 HG SER A 3 25.058 18.557 -7.193 1.00 0.00 H new ATOM 40 N LYS A 4 28.267 16.249 -4.180 1.00 0.00 N ATOM 41 CA LYS A 4 28.212 15.126 -3.264 1.00 0.00 C ATOM 42 C LYS A 4 26.885 15.093 -2.515 1.00 0.00 C ATOM 43 O LYS A 4 26.512 16.043 -1.820 1.00 0.00 O ATOM 44 CB LYS A 4 29.398 15.150 -2.292 1.00 0.00 C ATOM 45 CG LYS A 4 29.512 16.418 -1.461 1.00 0.00 C ATOM 46 CD LYS A 4 30.750 16.385 -0.583 1.00 0.00 C ATOM 47 CE LYS A 4 30.809 17.577 0.359 1.00 0.00 C ATOM 48 NZ LYS A 4 29.693 17.566 1.343 1.00 0.00 N ATOM 0 H LYS A 4 28.700 17.091 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 4 28.283 14.211 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 4 29.316 14.297 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 4 30.319 15.020 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 4 29.552 17.286 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.624 16.530 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 4 30.759 15.463 -0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 4 31.641 16.374 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 4 31.761 17.572 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.772 18.499 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.007 18.010 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 28.885 18.096 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 29.405 16.584 1.530 1.00 0.00 H new ATOM 62 N ALA A 5 26.166 13.998 -2.690 1.00 0.00 N ATOM 63 CA ALA A 5 24.907 13.786 -2.006 1.00 0.00 C ATOM 64 C ALA A 5 25.172 13.180 -0.639 1.00 0.00 C ATOM 65 O ALA A 5 25.674 12.056 -0.537 1.00 0.00 O ATOM 66 CB ALA A 5 24.001 12.885 -2.832 1.00 0.00 C ATOM 0 H ALA A 5 26.439 13.234 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 5 24.400 14.742 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.059 12.735 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.806 13.352 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.488 11.922 -2.986 1.00 0.00 H new ATOM 72 N ILE A 6 24.855 13.924 0.407 1.00 0.00 N ATOM 73 CA ILE A 6 25.187 13.498 1.754 1.00 0.00 C ATOM 74 C ILE A 6 24.012 12.780 2.401 1.00 0.00 C ATOM 75 O ILE A 6 22.944 13.359 2.590 1.00 0.00 O ATOM 76 CB ILE A 6 25.592 14.676 2.655 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.434 15.690 1.878 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.376 14.155 3.850 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.740 16.946 2.669 1.00 0.00 C ATOM 0 H ILE A 6 24.371 14.820 0.350 1.00 0.00 H new ATOM 0 HA ILE A 6 26.036 12.821 1.658 1.00 0.00 H new ATOM 0 HB ILE A 6 24.689 15.178 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.371 15.220 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.908 15.964 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.663 14.990 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.756 13.461 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.271 13.640 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 6 27.340 17.622 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.808 17.438 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.293 16.683 3.571 1.00 0.00 H new ATOM 91 N PHE A 7 24.222 11.522 2.737 1.00 0.00 N ATOM 92 CA PHE A 7 23.206 10.722 3.389 1.00 0.00 C ATOM 93 C PHE A 7 23.458 10.695 4.892 1.00 0.00 C ATOM 94 O PHE A 7 24.359 10.001 5.371 1.00 0.00 O ATOM 95 CB PHE A 7 23.204 9.304 2.811 1.00 0.00 C ATOM 96 CG PHE A 7 22.073 8.444 3.296 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.784 8.644 2.829 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.296 7.437 4.220 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.741 7.855 3.272 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.259 6.643 4.665 1.00 0.00 C ATOM 101 CZ PHE A 7 19.980 6.851 4.189 1.00 0.00 C ATOM 0 H PHE A 7 25.098 11.028 2.566 1.00 0.00 H new ATOM 0 HA PHE A 7 22.226 11.165 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.158 9.367 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.148 8.820 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.593 9.427 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.294 7.271 4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.740 8.023 2.902 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.448 5.860 5.385 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.167 6.229 4.534 1.00 0.00 H new ATOM 111 N TYR A 8 22.685 11.479 5.628 1.00 0.00 N ATOM 112 CA TYR A 8 22.810 11.545 7.075 1.00 0.00 C ATOM 113 C TYR A 8 21.868 10.552 7.740 1.00 0.00 C ATOM 114 O TYR A 8 20.660 10.576 7.498 1.00 0.00 O ATOM 115 CB TYR A 8 22.489 12.953 7.586 1.00 0.00 C ATOM 116 CG TYR A 8 23.523 14.005 7.248 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.663 14.158 8.027 1.00 0.00 C ATOM 118 CD2 TYR A 8 23.348 14.858 6.167 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.599 15.132 7.740 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.282 15.833 5.872 1.00 0.00 C ATOM 121 CZ TYR A 8 25.404 15.967 6.662 1.00 0.00 C ATOM 122 OH TYR A 8 26.335 16.938 6.372 1.00 0.00 O ATOM 0 H TYR A 8 21.959 12.083 5.242 1.00 0.00 H new ATOM 0 HA TYR A 8 23.840 11.296 7.328 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.529 13.263 7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.373 12.913 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.820 13.504 8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.469 14.758 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.479 15.238 8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.134 16.487 5.026 1.00 0.00 H new ATOM 0 HH TYR A 8 26.048 17.440 5.581 1.00 0.00 H new ATOM 132 N HIS A 9 22.414 9.679 8.573 1.00 0.00 N ATOM 133 CA HIS A 9 21.595 8.751 9.336 1.00 0.00 C ATOM 134 C HIS A 9 22.257 8.433 10.671 1.00 0.00 C ATOM 135 O HIS A 9 23.403 8.805 10.903 1.00 0.00 O ATOM 136 CB HIS A 9 21.321 7.466 8.542 1.00 0.00 C ATOM 137 CG HIS A 9 22.507 6.568 8.351 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.759 5.531 9.214 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.439 6.562 7.370 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.827 4.916 8.736 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.276 5.503 7.617 1.00 0.00 N ATOM 0 H HIS A 9 23.417 9.594 8.737 1.00 0.00 H new ATOM 0 HA HIS A 9 20.635 9.229 9.530 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.538 6.904 9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.931 7.740 7.562 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.511 7.259 6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.282 4.048 9.190 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.081 5.218 7.059 1.00 0.00 H new ATOM 149 N ALA A 10 21.533 7.749 11.546 1.00 0.00 N ATOM 150 CA ALA A 10 22.034 7.458 12.883 1.00 0.00 C ATOM 151 C ALA A 10 22.016 5.961 13.175 1.00 0.00 C ATOM 152 O ALA A 10 22.089 5.547 14.330 1.00 0.00 O ATOM 153 CB ALA A 10 21.209 8.209 13.917 1.00 0.00 C ATOM 0 H ALA A 10 20.599 7.386 11.355 1.00 0.00 H new ATOM 0 HA ALA A 10 23.071 7.790 12.937 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.588 7.988 14.915 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.280 9.281 13.731 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.167 7.897 13.847 1.00 0.00 H new ATOM 159 N GLY A 11 21.941 5.153 12.126 1.00 0.00 N ATOM 160 CA GLY A 11 21.894 3.712 12.303 1.00 0.00 C ATOM 161 C GLY A 11 20.513 3.222 12.696 1.00 0.00 C ATOM 162 O GLY A 11 20.367 2.167 13.311 1.00 0.00 O ATOM 0 H GLY A 11 21.912 5.467 11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.199 3.225 11.377 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.612 3.419 13.069 1.00 0.00 H new ATOM 166 N CYS A 12 19.502 3.999 12.339 1.00 0.00 N ATOM 167 CA CYS A 12 18.116 3.642 12.607 1.00 0.00 C ATOM 168 C CYS A 12 17.669 2.543 11.641 1.00 0.00 C ATOM 169 O CYS A 12 18.068 2.543 10.479 1.00 0.00 O ATOM 170 CB CYS A 12 17.233 4.890 12.452 1.00 0.00 C ATOM 171 SG CYS A 12 15.461 4.609 12.690 1.00 0.00 S ATOM 0 H CYS A 12 19.617 4.891 11.858 1.00 0.00 H new ATOM 0 HA CYS A 12 18.021 3.265 13.625 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.565 5.643 13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 12 17.389 5.305 11.456 1.00 0.00 H new ATOM 0 HG CYS A 12 14.820 5.729 12.538 1.00 0.00 H new ATOM 177 N PRO A 13 16.842 1.589 12.103 1.00 0.00 N ATOM 178 CA PRO A 13 16.345 0.489 11.265 1.00 0.00 C ATOM 179 C PRO A 13 15.724 0.977 9.954 1.00 0.00 C ATOM 180 O PRO A 13 15.712 0.259 8.954 1.00 0.00 O ATOM 181 CB PRO A 13 15.279 -0.193 12.140 1.00 0.00 C ATOM 182 CG PRO A 13 15.055 0.726 13.297 1.00 0.00 C ATOM 183 CD PRO A 13 16.334 1.487 13.478 1.00 0.00 C ATOM 0 HA PRO A 13 17.155 -0.176 10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.356 -0.351 11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.618 -1.172 12.478 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.223 1.403 13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.805 0.165 14.197 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.163 2.468 13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.031 0.960 14.130 1.00 0.00 H new ATOM 191 N VAL A 14 15.226 2.207 9.964 1.00 0.00 N ATOM 192 CA VAL A 14 14.582 2.790 8.793 1.00 0.00 C ATOM 193 C VAL A 14 15.611 3.230 7.746 1.00 0.00 C ATOM 194 O VAL A 14 15.407 3.042 6.545 1.00 0.00 O ATOM 195 CB VAL A 14 13.708 4.001 9.189 1.00 0.00 C ATOM 196 CG1 VAL A 14 12.981 4.567 7.979 1.00 0.00 C ATOM 197 CG2 VAL A 14 12.716 3.613 10.275 1.00 0.00 C ATOM 0 H VAL A 14 15.256 2.824 10.776 1.00 0.00 H new ATOM 0 HA VAL A 14 13.950 2.015 8.359 1.00 0.00 H new ATOM 0 HB VAL A 14 14.365 4.777 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.373 5.418 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.709 4.890 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.339 3.799 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.110 4.479 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.069 2.816 9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.257 3.266 11.155 1.00 0.00 H new ATOM 207 N CYS A 15 16.732 3.786 8.199 1.00 0.00 N ATOM 208 CA CYS A 15 17.698 4.381 7.283 1.00 0.00 C ATOM 209 C CYS A 15 18.507 3.316 6.556 1.00 0.00 C ATOM 210 O CYS A 15 19.096 3.586 5.511 1.00 0.00 O ATOM 211 CB CYS A 15 18.628 5.353 8.015 1.00 0.00 C ATOM 212 SG CYS A 15 19.672 4.602 9.284 1.00 0.00 S ATOM 0 H CYS A 15 16.991 3.836 9.184 1.00 0.00 H new ATOM 0 HA CYS A 15 17.134 4.942 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.269 5.841 7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.023 6.132 8.478 1.00 0.00 H new ATOM 0 HG CYS A 15 19.008 3.666 9.895 1.00 0.00 H new ATOM 218 N VAL A 16 18.527 2.106 7.106 1.00 0.00 N ATOM 219 CA VAL A 16 19.218 0.990 6.472 1.00 0.00 C ATOM 220 C VAL A 16 18.633 0.729 5.085 1.00 0.00 C ATOM 221 O VAL A 16 19.364 0.562 4.106 1.00 0.00 O ATOM 222 CB VAL A 16 19.116 -0.293 7.327 1.00 0.00 C ATOM 223 CG1 VAL A 16 19.879 -1.441 6.681 1.00 0.00 C ATOM 224 CG2 VAL A 16 19.625 -0.039 8.738 1.00 0.00 C ATOM 0 H VAL A 16 18.073 1.874 7.989 1.00 0.00 H new ATOM 0 HA VAL A 16 20.270 1.259 6.380 1.00 0.00 H new ATOM 0 HB VAL A 16 18.065 -0.576 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.791 -2.332 7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.463 -1.645 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.930 -1.170 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.545 -0.955 9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.668 0.276 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.028 0.744 9.205 1.00 0.00 H new ATOM 234 N SER A 17 17.308 0.729 5.009 1.00 0.00 N ATOM 235 CA SER A 17 16.611 0.536 3.749 1.00 0.00 C ATOM 236 C SER A 17 16.886 1.699 2.798 1.00 0.00 C ATOM 237 O SER A 17 17.175 1.499 1.621 1.00 0.00 O ATOM 238 CB SER A 17 15.110 0.408 4.005 1.00 0.00 C ATOM 239 OG SER A 17 14.847 -0.579 4.990 1.00 0.00 O ATOM 0 H SER A 17 16.693 0.862 5.812 1.00 0.00 H new ATOM 0 HA SER A 17 16.975 -0.380 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.709 1.368 4.330 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.600 0.147 3.078 1.00 0.00 H new ATOM 0 HG SER A 17 13.881 -0.643 5.139 1.00 0.00 H new ATOM 245 N ALA A 18 16.815 2.915 3.328 1.00 0.00 N ATOM 246 CA ALA A 18 17.021 4.117 2.528 1.00 0.00 C ATOM 247 C ALA A 18 18.430 4.159 1.942 1.00 0.00 C ATOM 248 O ALA A 18 18.630 4.602 0.810 1.00 0.00 O ATOM 249 CB ALA A 18 16.759 5.355 3.368 1.00 0.00 C ATOM 0 H ALA A 18 16.616 3.095 4.312 1.00 0.00 H new ATOM 0 HA ALA A 18 16.316 4.096 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.916 6.247 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.731 5.338 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.442 5.370 4.217 1.00 0.00 H new ATOM 255 N GLU A 19 19.398 3.690 2.717 1.00 0.00 N ATOM 256 CA GLU A 19 20.790 3.670 2.288 1.00 0.00 C ATOM 257 C GLU A 19 20.980 2.728 1.104 1.00 0.00 C ATOM 258 O GLU A 19 21.493 3.119 0.059 1.00 0.00 O ATOM 259 CB GLU A 19 21.690 3.230 3.445 1.00 0.00 C ATOM 260 CG GLU A 19 23.174 3.262 3.115 1.00 0.00 C ATOM 261 CD GLU A 19 24.015 2.610 4.191 1.00 0.00 C ATOM 262 OE1 GLU A 19 24.305 3.271 5.210 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.376 1.424 4.030 1.00 0.00 O ATOM 0 H GLU A 19 19.243 3.316 3.653 1.00 0.00 H new ATOM 0 HA GLU A 19 21.065 4.678 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.504 3.876 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.415 2.218 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.344 2.754 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.493 4.296 2.984 1.00 0.00 H new ATOM 270 N GLN A 20 20.532 1.492 1.264 1.00 0.00 N ATOM 271 CA GLN A 20 20.784 0.458 0.270 1.00 0.00 C ATOM 272 C GLN A 20 19.758 0.477 -0.859 1.00 0.00 C ATOM 273 O GLN A 20 19.823 -0.343 -1.775 1.00 0.00 O ATOM 274 CB GLN A 20 20.830 -0.910 0.948 1.00 0.00 C ATOM 275 CG GLN A 20 22.004 -1.044 1.902 1.00 0.00 C ATOM 276 CD GLN A 20 23.338 -0.930 1.185 1.00 0.00 C ATOM 277 OE1 GLN A 20 23.481 -1.367 0.039 1.00 0.00 O ATOM 278 NE2 GLN A 20 24.310 -0.296 1.824 1.00 0.00 N ATOM 0 H GLN A 20 19.993 1.180 2.072 1.00 0.00 H new ATOM 0 HA GLN A 20 21.751 0.663 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.901 -1.073 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.893 -1.688 0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.938 -0.272 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.948 -2.006 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 20 24.156 0.052 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 20 25.212 -0.155 1.369 1.00 0.00 H new ATOM 287 N ALA A 21 18.822 1.412 -0.801 1.00 0.00 N ATOM 288 CA ALA A 21 17.872 1.595 -1.889 1.00 0.00 C ATOM 289 C ALA A 21 18.085 2.938 -2.579 1.00 0.00 C ATOM 290 O ALA A 21 18.531 2.993 -3.724 1.00 0.00 O ATOM 291 CB ALA A 21 16.444 1.479 -1.385 1.00 0.00 C ATOM 0 H ALA A 21 18.700 2.053 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 21 18.044 0.804 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.752 1.619 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.291 0.492 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.262 2.242 -0.629 1.00 0.00 H new ATOM 297 N VAL A 22 17.797 4.020 -1.865 1.00 0.00 N ATOM 298 CA VAL A 22 17.857 5.360 -2.440 1.00 0.00 C ATOM 299 C VAL A 22 19.301 5.807 -2.642 1.00 0.00 C ATOM 300 O VAL A 22 19.685 6.226 -3.734 1.00 0.00 O ATOM 301 CB VAL A 22 17.123 6.388 -1.552 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.096 7.758 -2.216 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.712 5.915 -1.238 1.00 0.00 C ATOM 0 H VAL A 22 17.519 3.996 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 22 17.359 5.313 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 22 17.671 6.478 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.574 8.465 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.117 8.103 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.578 7.689 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.212 6.653 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.155 5.790 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.757 4.962 -0.711 1.00 0.00 H new ATOM 313 N ALA A 23 20.107 5.694 -1.591 1.00 0.00 N ATOM 314 CA ALA A 23 21.497 6.129 -1.648 1.00 0.00 C ATOM 315 C ALA A 23 22.339 5.173 -2.487 1.00 0.00 C ATOM 316 O ALA A 23 23.466 5.487 -2.860 1.00 0.00 O ATOM 317 CB ALA A 23 22.071 6.258 -0.245 1.00 0.00 C ATOM 0 H ALA A 23 19.822 5.306 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 23 21.525 7.108 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.109 6.584 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.493 6.991 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.022 5.292 0.258 1.00 0.00 H new ATOM 323 N ASN A 24 21.784 4.003 -2.775 1.00 0.00 N ATOM 324 CA ASN A 24 22.458 3.023 -3.616 1.00 0.00 C ATOM 325 C ASN A 24 22.139 3.300 -5.084 1.00 0.00 C ATOM 326 O ASN A 24 22.988 3.133 -5.960 1.00 0.00 O ATOM 327 CB ASN A 24 22.017 1.605 -3.233 1.00 0.00 C ATOM 328 CG ASN A 24 22.945 0.519 -3.757 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.594 0.671 -4.793 1.00 0.00 O ATOM 330 ND2 ASN A 24 23.009 -0.597 -3.044 1.00 0.00 N ATOM 0 H ASN A 24 20.867 3.709 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 24 23.535 3.102 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.961 1.531 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 24 21.012 1.429 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.609 -1.363 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.458 -0.689 -2.191 1.00 0.00 H new ATOM 337 N ALA A 25 20.907 3.739 -5.340 1.00 0.00 N ATOM 338 CA ALA A 25 20.472 4.074 -6.691 1.00 0.00 C ATOM 339 C ALA A 25 21.301 5.222 -7.255 1.00 0.00 C ATOM 340 O ALA A 25 21.587 5.269 -8.453 1.00 0.00 O ATOM 341 CB ALA A 25 18.994 4.434 -6.702 1.00 0.00 C ATOM 0 H ALA A 25 20.192 3.871 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 25 20.621 3.199 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 25 18.687 4.681 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 18.410 3.586 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.824 5.293 -6.053 1.00 0.00 H new ATOM 347 N ILE A 26 21.679 6.147 -6.384 1.00 0.00 N ATOM 348 CA ILE A 26 22.570 7.227 -6.767 1.00 0.00 C ATOM 349 C ILE A 26 24.010 6.729 -6.740 1.00 0.00 C ATOM 350 O ILE A 26 24.664 6.739 -5.699 1.00 0.00 O ATOM 351 CB ILE A 26 22.425 8.452 -5.836 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.961 8.896 -5.765 1.00 0.00 C ATOM 353 CG2 ILE A 26 23.308 9.595 -6.325 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.714 10.037 -4.800 1.00 0.00 C ATOM 0 H ILE A 26 21.381 6.169 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 26 22.300 7.544 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 26 22.748 8.170 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 26 20.634 9.197 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 26 20.347 8.045 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 26 23.196 10.451 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 26 24.349 9.274 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 23.011 9.878 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.655 10.295 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.009 9.734 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 26 21.300 10.904 -5.104 1.00 0.00 H new ATOM 366 N ASP A 27 24.480 6.251 -7.878 1.00 0.00 N ATOM 367 CA ASP A 27 25.827 5.710 -7.985 1.00 0.00 C ATOM 368 C ASP A 27 26.818 6.844 -8.273 1.00 0.00 C ATOM 369 O ASP A 27 26.402 7.946 -8.635 1.00 0.00 O ATOM 370 CB ASP A 27 25.874 4.644 -9.088 1.00 0.00 C ATOM 371 CG ASP A 27 26.046 5.237 -10.468 1.00 0.00 C ATOM 372 OD1 ASP A 27 25.044 5.693 -11.055 1.00 0.00 O ATOM 373 OD2 ASP A 27 27.189 5.254 -10.962 1.00 0.00 O ATOM 0 H ASP A 27 23.947 6.226 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 27 26.108 5.239 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.696 3.956 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.955 4.059 -9.061 1.00 0.00 H new ATOM 378 N PRO A 28 28.136 6.601 -8.104 1.00 0.00 N ATOM 379 CA PRO A 28 29.177 7.623 -8.317 1.00 0.00 C ATOM 380 C PRO A 28 29.154 8.264 -9.711 1.00 0.00 C ATOM 381 O PRO A 28 29.671 9.368 -9.892 1.00 0.00 O ATOM 382 CB PRO A 28 30.494 6.860 -8.112 1.00 0.00 C ATOM 383 CG PRO A 28 30.130 5.416 -8.161 1.00 0.00 C ATOM 384 CD PRO A 28 28.723 5.329 -7.654 1.00 0.00 C ATOM 0 HA PRO A 28 29.029 8.460 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 28 31.217 7.109 -8.889 1.00 0.00 H new ATOM 0 HB3 PRO A 28 30.952 7.117 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 28 30.203 5.029 -9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 28 30.805 4.822 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 28 28.195 4.470 -8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.689 5.229 -6.569 1.00 0.00 H new ATOM 392 N SER A 29 28.566 7.584 -10.693 1.00 0.00 N ATOM 393 CA SER A 29 28.471 8.131 -12.042 1.00 0.00 C ATOM 394 C SER A 29 27.306 9.113 -12.130 1.00 0.00 C ATOM 395 O SER A 29 27.193 9.886 -13.084 1.00 0.00 O ATOM 396 CB SER A 29 28.304 7.006 -13.071 1.00 0.00 C ATOM 397 OG SER A 29 28.257 7.511 -14.397 1.00 0.00 O ATOM 0 H SER A 29 28.151 6.659 -10.580 1.00 0.00 H new ATOM 0 HA SER A 29 29.395 8.664 -12.267 1.00 0.00 H new ATOM 0 HB2 SER A 29 29.131 6.302 -12.979 1.00 0.00 H new ATOM 0 HB3 SER A 29 27.389 6.452 -12.860 1.00 0.00 H new ATOM 0 HG SER A 29 27.917 8.430 -14.385 1.00 0.00 H new ATOM 403 N LYS A 30 26.432 9.071 -11.138 1.00 0.00 N ATOM 404 CA LYS A 30 25.341 10.020 -11.054 1.00 0.00 C ATOM 405 C LYS A 30 25.774 11.210 -10.208 1.00 0.00 C ATOM 406 O LYS A 30 25.795 12.346 -10.683 1.00 0.00 O ATOM 407 CB LYS A 30 24.098 9.361 -10.451 1.00 0.00 C ATOM 408 CG LYS A 30 22.856 10.232 -10.516 1.00 0.00 C ATOM 409 CD LYS A 30 22.423 10.475 -11.953 1.00 0.00 C ATOM 410 CE LYS A 30 21.202 11.376 -12.018 1.00 0.00 C ATOM 411 NZ LYS A 30 20.625 11.439 -13.385 1.00 0.00 N ATOM 0 H LYS A 30 26.459 8.388 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 30 25.087 10.362 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.903 8.425 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.300 9.108 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.045 9.754 -9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.053 11.186 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.243 10.929 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.200 9.522 -12.434 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.446 11.012 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.476 12.380 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.713 11.937 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.277 11.949 -14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.480 10.474 -13.746 1.00 0.00 H new ATOM 425 N TYR A 31 26.138 10.932 -8.962 1.00 0.00 N ATOM 426 CA TYR A 31 26.634 11.952 -8.045 1.00 0.00 C ATOM 427 C TYR A 31 27.630 11.328 -7.076 1.00 0.00 C ATOM 428 O TYR A 31 27.700 10.105 -6.954 1.00 0.00 O ATOM 429 CB TYR A 31 25.488 12.606 -7.259 1.00 0.00 C ATOM 430 CG TYR A 31 24.603 13.504 -8.096 1.00 0.00 C ATOM 431 CD1 TYR A 31 25.063 14.733 -8.549 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.314 13.117 -8.440 1.00 0.00 C ATOM 433 CE1 TYR A 31 24.265 15.553 -9.322 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.510 13.931 -9.217 1.00 0.00 C ATOM 435 CZ TYR A 31 22.991 15.148 -9.652 1.00 0.00 C ATOM 436 OH TYR A 31 22.195 15.959 -10.429 1.00 0.00 O ATOM 0 H TYR A 31 26.098 9.996 -8.559 1.00 0.00 H new ATOM 0 HA TYR A 31 27.125 12.727 -8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.875 11.824 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.909 13.189 -6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 31 26.062 15.053 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.934 12.166 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.638 16.506 -9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.512 13.615 -9.481 1.00 0.00 H new ATOM 0 HH TYR A 31 21.327 15.526 -10.571 1.00 0.00 H new ATOM 446 N THR A 32 28.400 12.161 -6.398 1.00 0.00 N ATOM 447 CA THR A 32 29.363 11.676 -5.426 1.00 0.00 C ATOM 448 C THR A 32 28.647 11.310 -4.126 1.00 0.00 C ATOM 449 O THR A 32 27.979 12.144 -3.524 1.00 0.00 O ATOM 450 CB THR A 32 30.450 12.735 -5.152 1.00 0.00 C ATOM 451 OG1 THR A 32 31.025 13.173 -6.394 1.00 0.00 O ATOM 452 CG2 THR A 32 31.545 12.174 -4.255 1.00 0.00 C ATOM 0 H THR A 32 28.377 13.175 -6.503 1.00 0.00 H new ATOM 0 HA THR A 32 29.848 10.789 -5.833 1.00 0.00 H new ATOM 0 HB THR A 32 29.984 13.579 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 32 30.725 14.085 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 32 32.299 12.941 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 32 31.113 11.863 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 32 32.009 11.315 -4.740 1.00 0.00 H new ATOM 460 N VAL A 33 28.772 10.059 -3.709 1.00 0.00 N ATOM 461 CA VAL A 33 28.064 9.574 -2.530 1.00 0.00 C ATOM 462 C VAL A 33 28.855 9.860 -1.257 1.00 0.00 C ATOM 463 O VAL A 33 30.025 9.490 -1.144 1.00 0.00 O ATOM 464 CB VAL A 33 27.790 8.058 -2.629 1.00 0.00 C ATOM 465 CG1 VAL A 33 26.889 7.593 -1.492 1.00 0.00 C ATOM 466 CG2 VAL A 33 27.181 7.711 -3.978 1.00 0.00 C ATOM 0 H VAL A 33 29.356 9.360 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 33 27.113 10.105 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 33 28.742 7.534 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 33 26.711 6.522 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.372 7.800 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.939 8.124 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 33 26.995 6.638 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 33 26.241 8.248 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.870 7.998 -4.773 1.00 0.00 H new ATOM 476 N GLU A 34 28.214 10.522 -0.304 1.00 0.00 N ATOM 477 CA GLU A 34 28.839 10.828 0.974 1.00 0.00 C ATOM 478 C GLU A 34 27.889 10.465 2.113 1.00 0.00 C ATOM 479 O GLU A 34 26.823 11.051 2.247 1.00 0.00 O ATOM 480 CB GLU A 34 29.218 12.314 1.026 1.00 0.00 C ATOM 481 CG GLU A 34 29.937 12.725 2.300 1.00 0.00 C ATOM 482 CD GLU A 34 30.490 14.135 2.224 1.00 0.00 C ATOM 483 OE1 GLU A 34 29.733 15.099 2.467 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.695 14.289 1.929 1.00 0.00 O ATOM 0 H GLU A 34 27.255 10.859 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 34 29.749 10.239 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 34 29.854 12.546 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 34 28.313 12.913 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.248 12.653 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.752 12.028 2.495 1.00 0.00 H new ATOM 491 N ILE A 35 28.267 9.481 2.916 1.00 0.00 N ATOM 492 CA ILE A 35 27.414 9.017 4.007 1.00 0.00 C ATOM 493 C ILE A 35 28.001 9.419 5.356 1.00 0.00 C ATOM 494 O ILE A 35 29.185 9.198 5.617 1.00 0.00 O ATOM 495 CB ILE A 35 27.227 7.482 3.960 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.616 7.062 2.619 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.353 7.012 5.116 1.00 0.00 C ATOM 498 CD1 ILE A 35 26.449 5.565 2.463 1.00 0.00 C ATOM 0 H ILE A 35 29.156 8.988 2.835 1.00 0.00 H new ATOM 0 HA ILE A 35 26.439 9.489 3.884 1.00 0.00 H new ATOM 0 HB ILE A 35 28.205 7.011 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.642 7.540 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.247 7.434 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.233 5.930 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.824 7.281 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.375 7.489 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 35 26.011 5.347 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 35 27.422 5.080 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.793 5.188 3.248 1.00 0.00 H new ATOM 510 N VAL A 36 27.171 10.011 6.209 1.00 0.00 N ATOM 511 CA VAL A 36 27.616 10.465 7.520 1.00 0.00 C ATOM 512 C VAL A 36 26.756 9.857 8.626 1.00 0.00 C ATOM 513 O VAL A 36 25.524 9.921 8.580 1.00 0.00 O ATOM 514 CB VAL A 36 27.579 12.007 7.633 1.00 0.00 C ATOM 515 CG1 VAL A 36 28.060 12.462 9.004 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.415 12.650 6.537 1.00 0.00 C ATOM 0 H VAL A 36 26.185 10.187 6.015 1.00 0.00 H new ATOM 0 HA VAL A 36 28.647 10.133 7.639 1.00 0.00 H new ATOM 0 HB VAL A 36 26.545 12.327 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 36 28.025 13.550 9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.416 12.039 9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.084 12.124 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.374 13.735 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.449 12.317 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.022 12.360 5.562 1.00 0.00 H new ATOM 526 N HIS A 37 27.414 9.265 9.613 1.00 0.00 N ATOM 527 CA HIS A 37 26.728 8.660 10.745 1.00 0.00 C ATOM 528 C HIS A 37 26.617 9.677 11.882 1.00 0.00 C ATOM 529 O HIS A 37 27.626 10.134 12.418 1.00 0.00 O ATOM 530 CB HIS A 37 27.492 7.416 11.208 1.00 0.00 C ATOM 531 CG HIS A 37 26.731 6.529 12.150 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.565 6.858 13.471 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.148 5.328 11.917 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.892 5.856 14.010 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.617 4.904 13.110 1.00 0.00 N ATOM 0 H HIS A 37 28.431 9.191 9.652 1.00 0.00 H new ATOM 0 HA HIS A 37 25.724 8.360 10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.777 6.834 10.332 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.415 7.733 11.694 1.00 0.00 H new ATOM 0 HD2 HIS A 37 26.109 4.804 10.973 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.600 5.811 15.049 1.00 0.00 H new ATOM 0 HE2 HIS A 37 25.112 4.034 13.278 1.00 0.00 H new ATOM 543 N LEU A 38 25.391 10.039 12.230 1.00 0.00 N ATOM 544 CA LEU A 38 25.147 11.061 13.244 1.00 0.00 C ATOM 545 C LEU A 38 24.874 10.440 14.611 1.00 0.00 C ATOM 546 O LEU A 38 24.756 11.147 15.608 1.00 0.00 O ATOM 547 CB LEU A 38 23.954 11.932 12.844 1.00 0.00 C ATOM 548 CG LEU A 38 24.110 12.703 11.532 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.839 13.477 11.222 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.302 13.646 11.604 1.00 0.00 C ATOM 0 H LEU A 38 24.545 9.640 11.825 1.00 0.00 H new ATOM 0 HA LEU A 38 26.047 11.672 13.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.072 11.296 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.764 12.647 13.645 1.00 0.00 H new ATOM 0 HG LEU A 38 24.287 11.987 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.964 14.021 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 38 22.004 12.783 11.130 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.637 14.183 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.397 14.185 10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.154 14.358 12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.210 13.071 11.786 1.00 0.00 H new ATOM 562 N GLY A 39 24.799 9.120 14.660 1.00 0.00 N ATOM 563 CA GLY A 39 24.411 8.448 15.887 1.00 0.00 C ATOM 564 C GLY A 39 25.585 8.171 16.805 1.00 0.00 C ATOM 565 O GLY A 39 25.657 7.110 17.426 1.00 0.00 O ATOM 0 H GLY A 39 24.999 8.500 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.680 9.060 16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.920 7.507 15.640 1.00 0.00 H new ATOM 569 N THR A 40 26.512 9.114 16.885 1.00 0.00 N ATOM 570 CA THR A 40 27.680 8.978 17.747 1.00 0.00 C ATOM 571 C THR A 40 28.267 10.349 18.071 1.00 0.00 C ATOM 572 O THR A 40 28.253 10.787 19.221 1.00 0.00 O ATOM 573 CB THR A 40 28.773 8.098 17.097 1.00 0.00 C ATOM 574 OG1 THR A 40 28.223 6.829 16.715 1.00 0.00 O ATOM 575 CG2 THR A 40 29.935 7.876 18.055 1.00 0.00 C ATOM 0 H THR A 40 26.478 9.988 16.360 1.00 0.00 H new ATOM 0 HA THR A 40 27.347 8.493 18.664 1.00 0.00 H new ATOM 0 HB THR A 40 29.142 8.618 16.213 1.00 0.00 H new ATOM 0 HG1 THR A 40 27.401 6.662 17.223 1.00 0.00 H new ATOM 0 HG21 THR A 40 30.690 7.254 17.574 1.00 0.00 H new ATOM 0 HG22 THR A 40 30.374 8.837 18.324 1.00 0.00 H new ATOM 0 HG23 THR A 40 29.575 7.378 18.955 1.00 0.00 H new ATOM 583 N ASP A 41 28.765 11.029 17.045 1.00 0.00 N ATOM 584 CA ASP A 41 29.401 12.325 17.232 1.00 0.00 C ATOM 585 C ASP A 41 28.366 13.442 17.205 1.00 0.00 C ATOM 586 O ASP A 41 27.764 13.729 16.167 1.00 0.00 O ATOM 587 CB ASP A 41 30.467 12.557 16.163 1.00 0.00 C ATOM 588 CG ASP A 41 31.247 13.837 16.385 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.254 14.349 17.525 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.878 14.321 15.423 1.00 0.00 O ATOM 0 H ASP A 41 28.740 10.705 16.078 1.00 0.00 H new ATOM 0 HA ASP A 41 29.884 12.331 18.209 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.157 11.713 16.154 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.992 12.591 15.183 1.00 0.00 H new ATOM 595 N LYS A 42 28.182 14.073 18.353 1.00 0.00 N ATOM 596 CA LYS A 42 27.141 15.075 18.539 1.00 0.00 C ATOM 597 C LYS A 42 27.500 16.390 17.865 1.00 0.00 C ATOM 598 O LYS A 42 26.620 17.186 17.535 1.00 0.00 O ATOM 599 CB LYS A 42 26.891 15.284 20.030 1.00 0.00 C ATOM 600 CG LYS A 42 26.354 14.038 20.707 1.00 0.00 C ATOM 601 CD LYS A 42 26.367 14.153 22.220 1.00 0.00 C ATOM 602 CE LYS A 42 25.873 12.868 22.863 1.00 0.00 C ATOM 603 NZ LYS A 42 26.598 11.677 22.339 1.00 0.00 N ATOM 0 H LYS A 42 28.750 13.906 19.184 1.00 0.00 H new ATOM 0 HA LYS A 42 26.228 14.711 18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 42 27.821 15.584 20.513 1.00 0.00 H new ATOM 0 HB3 LYS A 42 26.183 16.102 20.166 1.00 0.00 H new ATOM 0 HG2 LYS A 42 25.335 13.854 20.368 1.00 0.00 H new ATOM 0 HG3 LYS A 42 26.951 13.177 20.405 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.378 14.372 22.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 25.737 14.986 22.531 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.004 12.928 23.943 1.00 0.00 H new ATOM 0 HE3 LYS A 42 24.805 12.755 22.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 26.426 10.863 22.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.257 11.456 21.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.618 11.878 22.305 1.00 0.00 H new ATOM 617 N ALA A 43 28.789 16.602 17.636 1.00 0.00 N ATOM 618 CA ALA A 43 29.258 17.818 16.983 1.00 0.00 C ATOM 619 C ALA A 43 28.750 17.891 15.546 1.00 0.00 C ATOM 620 O ALA A 43 28.661 18.966 14.955 1.00 0.00 O ATOM 621 CB ALA A 43 30.776 17.881 17.015 1.00 0.00 C ATOM 0 H ALA A 43 29.529 15.948 17.892 1.00 0.00 H new ATOM 0 HA ALA A 43 28.862 18.675 17.527 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.113 18.794 16.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.119 17.878 18.050 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.187 17.016 16.494 1.00 0.00 H new ATOM 627 N ARG A 44 28.396 16.738 14.993 1.00 0.00 N ATOM 628 CA ARG A 44 27.939 16.668 13.615 1.00 0.00 C ATOM 629 C ARG A 44 26.451 16.990 13.514 1.00 0.00 C ATOM 630 O ARG A 44 25.975 17.397 12.458 1.00 0.00 O ATOM 631 CB ARG A 44 28.238 15.290 13.025 1.00 0.00 C ATOM 632 CG ARG A 44 29.708 14.921 13.116 1.00 0.00 C ATOM 633 CD ARG A 44 29.999 13.565 12.497 1.00 0.00 C ATOM 634 NE ARG A 44 31.335 13.093 12.855 1.00 0.00 N ATOM 635 CZ ARG A 44 32.059 12.246 12.124 1.00 0.00 C ATOM 636 NH1 ARG A 44 31.624 11.844 10.937 1.00 0.00 N ATOM 637 NH2 ARG A 44 33.231 11.823 12.574 1.00 0.00 N ATOM 0 H ARG A 44 28.417 15.841 15.478 1.00 0.00 H new ATOM 0 HA ARG A 44 28.481 17.417 13.037 1.00 0.00 H new ATOM 0 HB2 ARG A 44 27.646 14.539 13.548 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.927 15.271 11.981 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.304 15.683 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.015 14.914 14.162 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.254 12.843 12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.913 13.632 11.412 1.00 0.00 H new ATOM 0 HE ARG A 44 31.742 13.436 13.725 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.731 12.183 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.182 11.196 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.577 12.146 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.787 11.175 12.017 1.00 0.00 H new ATOM 651 N ILE A 45 25.721 16.825 14.617 1.00 0.00 N ATOM 652 CA ILE A 45 24.299 17.163 14.646 1.00 0.00 C ATOM 653 C ILE A 45 24.112 18.665 14.443 1.00 0.00 C ATOM 654 O ILE A 45 23.251 19.098 13.674 1.00 0.00 O ATOM 655 CB ILE A 45 23.612 16.719 15.970 1.00 0.00 C ATOM 656 CG1 ILE A 45 23.258 15.230 15.928 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.361 17.543 16.257 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.423 14.309 16.201 1.00 0.00 C ATOM 0 H ILE A 45 26.088 16.462 15.497 1.00 0.00 H new ATOM 0 HA ILE A 45 23.822 16.618 13.831 1.00 0.00 H new ATOM 0 HB ILE A 45 24.325 16.891 16.776 1.00 0.00 H new ATOM 0 HG12 ILE A 45 22.475 15.033 16.660 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.845 14.994 14.947 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.908 17.205 17.189 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.631 18.595 16.346 1.00 0.00 H new ATOM 0 HG23 ILE A 45 21.648 17.419 15.442 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.087 13.273 16.152 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.200 14.474 15.454 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.824 14.514 17.194 1.00 0.00 H new ATOM 670 N ALA A 46 24.951 19.447 15.114 1.00 0.00 N ATOM 671 CA ALA A 46 24.882 20.900 15.029 1.00 0.00 C ATOM 672 C ALA A 46 25.123 21.381 13.602 1.00 0.00 C ATOM 673 O ALA A 46 24.533 22.369 13.159 1.00 0.00 O ATOM 674 CB ALA A 46 25.890 21.530 15.979 1.00 0.00 C ATOM 0 H ALA A 46 25.689 19.097 15.725 1.00 0.00 H new ATOM 0 HA ALA A 46 23.879 21.210 15.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 25.829 22.616 15.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 25.669 21.222 17.001 1.00 0.00 H new ATOM 0 HB3 ALA A 46 26.895 21.204 15.711 1.00 0.00 H new ATOM 680 N GLU A 47 25.978 20.666 12.884 1.00 0.00 N ATOM 681 CA GLU A 47 26.320 21.027 11.516 1.00 0.00 C ATOM 682 C GLU A 47 25.277 20.485 10.538 1.00 0.00 C ATOM 683 O GLU A 47 24.929 21.138 9.554 1.00 0.00 O ATOM 684 CB GLU A 47 27.708 20.483 11.172 1.00 0.00 C ATOM 685 CG GLU A 47 28.314 21.087 9.915 1.00 0.00 C ATOM 686 CD GLU A 47 28.548 22.581 10.037 1.00 0.00 C ATOM 687 OE1 GLU A 47 28.869 23.053 11.153 1.00 0.00 O ATOM 688 OE2 GLU A 47 28.442 23.289 9.015 1.00 0.00 O ATOM 0 H GLU A 47 26.449 19.829 13.228 1.00 0.00 H new ATOM 0 HA GLU A 47 26.331 22.114 11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.378 20.668 12.011 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.643 19.402 11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.261 20.592 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.653 20.895 9.070 1.00 0.00 H new ATOM 695 N ALA A 48 24.768 19.292 10.825 1.00 0.00 N ATOM 696 CA ALA A 48 23.770 18.660 9.973 1.00 0.00 C ATOM 697 C ALA A 48 22.479 19.468 9.953 1.00 0.00 C ATOM 698 O ALA A 48 21.833 19.595 8.912 1.00 0.00 O ATOM 699 CB ALA A 48 23.498 17.239 10.435 1.00 0.00 C ATOM 0 H ALA A 48 25.031 18.743 11.643 1.00 0.00 H new ATOM 0 HA ALA A 48 24.166 18.627 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.750 16.783 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.420 16.659 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.129 17.254 11.460 1.00 0.00 H new ATOM 705 N GLU A 49 22.115 20.025 11.102 1.00 0.00 N ATOM 706 CA GLU A 49 20.920 20.853 11.201 1.00 0.00 C ATOM 707 C GLU A 49 21.077 22.117 10.354 1.00 0.00 C ATOM 708 O GLU A 49 20.100 22.648 9.824 1.00 0.00 O ATOM 709 CB GLU A 49 20.636 21.210 12.662 1.00 0.00 C ATOM 710 CG GLU A 49 19.350 21.996 12.857 1.00 0.00 C ATOM 711 CD GLU A 49 19.047 22.268 14.315 1.00 0.00 C ATOM 712 OE1 GLU A 49 19.845 22.967 14.972 1.00 0.00 O ATOM 713 OE2 GLU A 49 18.001 21.797 14.809 1.00 0.00 O ATOM 0 H GLU A 49 22.629 19.918 11.976 1.00 0.00 H new ATOM 0 HA GLU A 49 20.071 20.287 10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.584 20.292 13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.470 21.791 13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.423 22.943 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.521 21.444 12.415 1.00 0.00 H new ATOM 720 N LYS A 50 22.313 22.587 10.212 1.00 0.00 N ATOM 721 CA LYS A 50 22.604 23.710 9.325 1.00 0.00 C ATOM 722 C LYS A 50 22.303 23.318 7.884 1.00 0.00 C ATOM 723 O LYS A 50 21.739 24.098 7.118 1.00 0.00 O ATOM 724 CB LYS A 50 24.072 24.130 9.421 1.00 0.00 C ATOM 725 CG LYS A 50 24.519 24.592 10.796 1.00 0.00 C ATOM 726 CD LYS A 50 26.005 24.904 10.787 1.00 0.00 C ATOM 727 CE LYS A 50 26.520 25.308 12.156 1.00 0.00 C ATOM 728 NZ LYS A 50 27.999 25.471 12.148 1.00 0.00 N ATOM 0 H LYS A 50 23.127 22.210 10.698 1.00 0.00 H new ATOM 0 HA LYS A 50 21.977 24.547 9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.695 23.289 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.251 24.935 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.956 25.477 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.307 23.819 11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.555 24.030 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.200 25.707 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.050 26.242 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.239 24.553 12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.342 25.580 13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.438 24.632 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.252 26.315 11.596 1.00 0.00 H new ATOM 742 N ALA A 51 22.673 22.088 7.536 1.00 0.00 N ATOM 743 CA ALA A 51 22.502 21.578 6.179 1.00 0.00 C ATOM 744 C ALA A 51 21.035 21.305 5.854 1.00 0.00 C ATOM 745 O ALA A 51 20.684 21.066 4.699 1.00 0.00 O ATOM 746 CB ALA A 51 23.329 20.315 5.987 1.00 0.00 C ATOM 0 H ALA A 51 23.097 21.421 8.182 1.00 0.00 H new ATOM 0 HA ALA A 51 22.852 22.347 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 51 23.194 19.943 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.382 20.541 6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 51 23.004 19.556 6.698 1.00 0.00 H new ATOM 752 N GLY A 52 20.187 21.332 6.871 1.00 0.00 N ATOM 753 CA GLY A 52 18.765 21.144 6.651 1.00 0.00 C ATOM 754 C GLY A 52 18.270 19.810 7.164 1.00 0.00 C ATOM 755 O GLY A 52 17.120 19.436 6.933 1.00 0.00 O ATOM 0 H GLY A 52 20.456 21.480 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.215 21.946 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.552 21.221 5.585 1.00 0.00 H new ATOM 759 N VAL A 53 19.135 19.091 7.860 1.00 0.00 N ATOM 760 CA VAL A 53 18.774 17.799 8.418 1.00 0.00 C ATOM 761 C VAL A 53 17.998 17.980 9.715 1.00 0.00 C ATOM 762 O VAL A 53 18.566 18.345 10.744 1.00 0.00 O ATOM 763 CB VAL A 53 20.021 16.927 8.675 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.633 15.572 9.250 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.818 16.757 7.392 1.00 0.00 C ATOM 0 H VAL A 53 20.094 19.381 8.052 1.00 0.00 H new ATOM 0 HA VAL A 53 18.145 17.289 7.688 1.00 0.00 H new ATOM 0 HB VAL A 53 20.646 17.434 9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.531 14.979 9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 53 19.107 15.714 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.983 15.051 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.695 16.140 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.196 16.275 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.136 17.734 7.029 1.00 0.00 H new ATOM 775 N LYS A 54 16.696 17.757 9.648 1.00 0.00 N ATOM 776 CA LYS A 54 15.837 17.861 10.819 1.00 0.00 C ATOM 777 C LYS A 54 15.434 16.474 11.302 1.00 0.00 C ATOM 778 O LYS A 54 15.012 16.290 12.446 1.00 0.00 O ATOM 779 CB LYS A 54 14.595 18.690 10.491 1.00 0.00 C ATOM 780 CG LYS A 54 14.902 20.146 10.182 1.00 0.00 C ATOM 781 CD LYS A 54 13.667 20.884 9.694 1.00 0.00 C ATOM 782 CE LYS A 54 13.938 22.369 9.508 1.00 0.00 C ATOM 783 NZ LYS A 54 14.219 23.046 10.801 1.00 0.00 N ATOM 0 H LYS A 54 16.207 17.501 8.790 1.00 0.00 H new ATOM 0 HA LYS A 54 16.390 18.360 11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.086 18.245 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.904 18.643 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.290 20.635 11.076 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.683 20.201 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.335 20.453 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.855 20.749 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.786 22.502 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.077 22.838 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.147 24.076 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.528 22.734 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.179 22.802 11.119 1.00 0.00 H new ATOM 797 N SER A 55 15.570 15.497 10.424 1.00 0.00 N ATOM 798 CA SER A 55 15.236 14.122 10.746 1.00 0.00 C ATOM 799 C SER A 55 16.199 13.178 10.039 1.00 0.00 C ATOM 800 O SER A 55 16.957 13.597 9.166 1.00 0.00 O ATOM 801 CB SER A 55 13.797 13.822 10.322 1.00 0.00 C ATOM 802 OG SER A 55 12.897 14.765 10.880 1.00 0.00 O ATOM 0 H SER A 55 15.913 15.633 9.473 1.00 0.00 H new ATOM 0 HA SER A 55 15.323 13.975 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.723 13.842 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.522 12.817 10.642 1.00 0.00 H new ATOM 0 HG SER A 55 12.023 14.343 11.014 1.00 0.00 H new ATOM 808 N VAL A 56 16.182 11.914 10.424 1.00 0.00 N ATOM 809 CA VAL A 56 17.006 10.914 9.769 1.00 0.00 C ATOM 810 C VAL A 56 16.150 9.741 9.308 1.00 0.00 C ATOM 811 O VAL A 56 15.179 9.365 9.976 1.00 0.00 O ATOM 812 CB VAL A 56 18.151 10.405 10.680 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.145 11.520 10.970 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.606 9.831 11.978 1.00 0.00 C ATOM 0 H VAL A 56 15.607 11.556 11.187 1.00 0.00 H new ATOM 0 HA VAL A 56 17.464 11.395 8.905 1.00 0.00 H new ATOM 0 HB VAL A 56 18.669 9.607 10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 56 19.941 11.141 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.573 11.878 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.634 12.341 11.473 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.433 9.482 12.597 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.053 10.603 12.513 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.941 8.996 11.756 1.00 0.00 H new ATOM 824 N PRO A 57 16.488 9.152 8.154 1.00 0.00 N ATOM 825 CA PRO A 57 17.628 9.582 7.345 1.00 0.00 C ATOM 826 C PRO A 57 17.310 10.776 6.447 1.00 0.00 C ATOM 827 O PRO A 57 16.182 10.939 5.977 1.00 0.00 O ATOM 828 CB PRO A 57 17.922 8.351 6.499 1.00 0.00 C ATOM 829 CG PRO A 57 16.595 7.696 6.313 1.00 0.00 C ATOM 830 CD PRO A 57 15.782 8.012 7.544 1.00 0.00 C ATOM 0 HA PRO A 57 18.460 9.918 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.366 8.625 5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.626 7.686 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.101 8.069 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.708 6.619 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.754 8.269 7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.738 7.160 8.223 1.00 0.00 H new ATOM 838 N ALA A 58 18.315 11.603 6.214 1.00 0.00 N ATOM 839 CA ALA A 58 18.175 12.756 5.341 1.00 0.00 C ATOM 840 C ALA A 58 19.254 12.738 4.274 1.00 0.00 C ATOM 841 O ALA A 58 20.445 12.706 4.586 1.00 0.00 O ATOM 842 CB ALA A 58 18.244 14.046 6.143 1.00 0.00 C ATOM 0 H ALA A 58 19.244 11.496 6.621 1.00 0.00 H new ATOM 0 HA ALA A 58 17.201 12.707 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.137 14.898 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.440 14.061 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.205 14.105 6.655 1.00 0.00 H new ATOM 848 N LEU A 59 18.839 12.743 3.021 1.00 0.00 N ATOM 849 CA LEU A 59 19.772 12.716 1.910 1.00 0.00 C ATOM 850 C LEU A 59 19.831 14.096 1.264 1.00 0.00 C ATOM 851 O LEU A 59 18.864 14.553 0.657 1.00 0.00 O ATOM 852 CB LEU A 59 19.341 11.653 0.889 1.00 0.00 C ATOM 853 CG LEU A 59 20.474 10.998 0.087 1.00 0.00 C ATOM 854 CD1 LEU A 59 19.927 9.862 -0.762 1.00 0.00 C ATOM 855 CD2 LEU A 59 21.187 12.012 -0.793 1.00 0.00 C ATOM 0 H LEU A 59 17.857 12.766 2.746 1.00 0.00 H new ATOM 0 HA LEU A 59 20.766 12.456 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.795 10.870 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.643 12.111 0.188 1.00 0.00 H new ATOM 0 HG LEU A 59 21.199 10.599 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.740 9.405 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 59 19.468 9.113 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 59 19.180 10.252 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.984 11.516 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 59 20.476 12.450 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 59 21.614 12.798 -0.170 1.00 0.00 H new ATOM 867 N VAL A 60 20.961 14.762 1.422 1.00 0.00 N ATOM 868 CA VAL A 60 21.152 16.086 0.857 1.00 0.00 C ATOM 869 C VAL A 60 21.576 15.980 -0.603 1.00 0.00 C ATOM 870 O VAL A 60 22.726 15.660 -0.905 1.00 0.00 O ATOM 871 CB VAL A 60 22.208 16.892 1.645 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.338 18.303 1.093 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.859 16.927 3.127 1.00 0.00 C ATOM 0 H VAL A 60 21.764 14.405 1.940 1.00 0.00 H new ATOM 0 HA VAL A 60 20.200 16.613 0.924 1.00 0.00 H new ATOM 0 HB VAL A 60 23.170 16.393 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 60 23.088 18.850 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.641 18.258 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.378 18.814 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.615 17.499 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.885 17.397 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.828 15.910 3.518 1.00 0.00 H new ATOM 883 N ILE A 61 20.635 16.232 -1.499 1.00 0.00 N ATOM 884 CA ILE A 61 20.887 16.135 -2.927 1.00 0.00 C ATOM 885 C ILE A 61 21.174 17.511 -3.513 1.00 0.00 C ATOM 886 O ILE A 61 20.267 18.334 -3.659 1.00 0.00 O ATOM 887 CB ILE A 61 19.689 15.503 -3.673 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.352 14.133 -3.076 1.00 0.00 C ATOM 889 CG2 ILE A 61 19.996 15.377 -5.161 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.146 13.469 -3.709 1.00 0.00 C ATOM 0 H ILE A 61 19.683 16.507 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 61 21.757 15.492 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 61 18.823 16.154 -3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.216 13.477 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.173 14.247 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.143 14.930 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.192 16.365 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.873 14.745 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.971 12.504 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.270 14.104 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.329 13.321 -4.773 1.00 0.00 H new ATOM 902 N ASP A 62 22.448 17.760 -3.806 1.00 0.00 N ATOM 903 CA ASP A 62 22.887 19.003 -4.445 1.00 0.00 C ATOM 904 C ASP A 62 22.476 20.221 -3.617 1.00 0.00 C ATOM 905 O ASP A 62 22.060 21.248 -4.149 1.00 0.00 O ATOM 906 CB ASP A 62 22.324 19.099 -5.871 1.00 0.00 C ATOM 907 CG ASP A 62 22.997 20.182 -6.695 1.00 0.00 C ATOM 908 OD1 ASP A 62 24.227 20.103 -6.891 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.304 21.105 -7.169 1.00 0.00 O ATOM 0 H ASP A 62 23.207 17.108 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 62 23.975 18.991 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.447 18.138 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.253 19.298 -5.822 1.00 0.00 H new ATOM 914 N GLY A 63 22.598 20.095 -2.303 1.00 0.00 N ATOM 915 CA GLY A 63 22.281 21.200 -1.421 1.00 0.00 C ATOM 916 C GLY A 63 20.889 21.103 -0.825 1.00 0.00 C ATOM 917 O GLY A 63 20.621 21.677 0.231 1.00 0.00 O ATOM 0 H GLY A 63 22.911 19.246 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.014 21.236 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.369 22.135 -1.974 1.00 0.00 H new ATOM 921 N ALA A 64 20.003 20.375 -1.490 1.00 0.00 N ATOM 922 CA ALA A 64 18.628 20.238 -1.026 1.00 0.00 C ATOM 923 C ALA A 64 18.463 18.975 -0.190 1.00 0.00 C ATOM 924 O ALA A 64 18.653 17.865 -0.682 1.00 0.00 O ATOM 925 CB ALA A 64 17.671 20.228 -2.209 1.00 0.00 C ATOM 0 H ALA A 64 20.211 19.870 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 64 18.390 21.094 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.648 20.125 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.768 21.161 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.911 19.390 -2.864 1.00 0.00 H new ATOM 931 N ALA A 65 18.120 19.148 1.078 1.00 0.00 N ATOM 932 CA ALA A 65 17.972 18.021 1.989 1.00 0.00 C ATOM 933 C ALA A 65 16.620 17.335 1.818 1.00 0.00 C ATOM 934 O ALA A 65 15.569 17.952 2.000 1.00 0.00 O ATOM 935 CB ALA A 65 18.154 18.481 3.427 1.00 0.00 C ATOM 0 H ALA A 65 17.939 20.059 1.500 1.00 0.00 H new ATOM 0 HA ALA A 65 18.745 17.292 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.041 17.630 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.149 18.910 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.403 19.234 3.666 1.00 0.00 H new ATOM 941 N PHE A 66 16.655 16.059 1.457 1.00 0.00 N ATOM 942 CA PHE A 66 15.443 15.264 1.330 1.00 0.00 C ATOM 943 C PHE A 66 15.458 14.108 2.317 1.00 0.00 C ATOM 944 O PHE A 66 16.292 13.208 2.226 1.00 0.00 O ATOM 945 CB PHE A 66 15.285 14.730 -0.095 1.00 0.00 C ATOM 946 CG PHE A 66 15.056 15.803 -1.119 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.797 16.359 -1.288 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.095 16.254 -1.913 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.580 17.345 -2.228 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.884 17.240 -2.856 1.00 0.00 C ATOM 951 CZ PHE A 66 14.626 17.788 -3.014 1.00 0.00 C ATOM 0 H PHE A 66 17.514 15.551 1.246 1.00 0.00 H new ATOM 0 HA PHE A 66 14.594 15.910 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.179 14.168 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.449 14.031 -0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.976 16.016 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.081 15.830 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.594 17.770 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.703 17.583 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.461 18.561 -3.750 1.00 0.00 H new ATOM 961 N HIS A 67 14.543 14.148 3.266 1.00 0.00 N ATOM 962 CA HIS A 67 14.415 13.095 4.261 1.00 0.00 C ATOM 963 C HIS A 67 13.735 11.885 3.636 1.00 0.00 C ATOM 964 O HIS A 67 12.786 12.034 2.871 1.00 0.00 O ATOM 965 CB HIS A 67 13.604 13.596 5.460 1.00 0.00 C ATOM 966 CG HIS A 67 14.175 14.824 6.108 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.944 16.109 5.663 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.980 14.946 7.190 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.601 16.950 6.470 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.247 16.295 7.415 1.00 0.00 N ATOM 0 H HIS A 67 13.869 14.906 3.371 1.00 0.00 H new ATOM 0 HA HIS A 67 15.407 12.809 4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.586 13.809 5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.542 12.800 6.202 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.373 16.372 4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.356 14.127 7.785 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.602 18.025 6.362 1.00 0.00 H new ATOM 978 N ILE A 68 14.221 10.695 3.944 1.00 0.00 N ATOM 979 CA ILE A 68 13.674 9.482 3.352 1.00 0.00 C ATOM 980 C ILE A 68 13.057 8.593 4.427 1.00 0.00 C ATOM 981 O ILE A 68 13.761 7.833 5.087 1.00 0.00 O ATOM 982 CB ILE A 68 14.751 8.684 2.579 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.447 9.572 1.538 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.133 7.465 1.906 1.00 0.00 C ATOM 985 CD1 ILE A 68 14.516 10.123 0.475 1.00 0.00 C ATOM 0 H ILE A 68 14.989 10.541 4.597 1.00 0.00 H new ATOM 0 HA ILE A 68 12.903 9.789 2.645 1.00 0.00 H new ATOM 0 HB ILE A 68 15.499 8.345 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.930 10.404 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.235 8.996 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.905 6.916 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.689 6.818 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.362 7.788 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.084 10.740 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.052 9.298 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.742 10.728 0.947 1.00 0.00 H new ATOM 997 N ASN A 69 11.738 8.706 4.588 1.00 0.00 N ATOM 998 CA ASN A 69 10.996 7.974 5.621 1.00 0.00 C ATOM 999 C ASN A 69 11.386 8.444 7.019 1.00 0.00 C ATOM 1000 O ASN A 69 12.474 8.153 7.511 1.00 0.00 O ATOM 1001 CB ASN A 69 11.192 6.456 5.497 1.00 0.00 C ATOM 1002 CG ASN A 69 10.352 5.843 4.396 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.260 6.323 4.092 1.00 0.00 O ATOM 1004 ND2 ASN A 69 10.846 4.774 3.795 1.00 0.00 N ATOM 0 H ASN A 69 11.152 9.306 4.008 1.00 0.00 H new ATOM 0 HA ASN A 69 9.939 8.190 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.244 6.245 5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.940 5.983 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.318 4.318 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.755 4.406 4.075 1.00 0.00 H new ATOM 1011 N PHE A 70 10.479 9.178 7.653 1.00 0.00 N ATOM 1012 CA PHE A 70 10.716 9.710 8.987 1.00 0.00 C ATOM 1013 C PHE A 70 10.848 8.584 10.011 1.00 0.00 C ATOM 1014 O PHE A 70 9.863 7.934 10.368 1.00 0.00 O ATOM 1015 CB PHE A 70 9.580 10.661 9.384 1.00 0.00 C ATOM 1016 CG PHE A 70 9.702 11.213 10.779 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.666 12.159 11.084 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.847 10.786 11.784 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.777 12.668 12.363 1.00 0.00 C ATOM 1020 CE2 PHE A 70 8.953 11.292 13.065 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.921 12.234 13.355 1.00 0.00 C ATOM 0 H PHE A 70 9.569 9.418 7.261 1.00 0.00 H new ATOM 0 HA PHE A 70 11.654 10.264 8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.551 11.491 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.630 10.133 9.295 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.339 12.503 10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.089 10.049 11.562 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.533 13.406 12.587 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.280 10.952 13.838 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.008 12.630 14.356 1.00 0.00 H new ATOM 1031 N GLY A 71 12.073 8.344 10.453 1.00 0.00 N ATOM 1032 CA GLY A 71 12.311 7.347 11.475 1.00 0.00 C ATOM 1033 C GLY A 71 12.666 7.980 12.805 1.00 0.00 C ATOM 1034 O GLY A 71 12.102 7.635 13.842 1.00 0.00 O ATOM 0 H GLY A 71 12.909 8.824 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.422 6.728 11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.119 6.688 11.159 1.00 0.00 H new ATOM 1038 N ALA A 72 13.613 8.909 12.772 1.00 0.00 N ATOM 1039 CA ALA A 72 14.039 9.608 13.975 1.00 0.00 C ATOM 1040 C ALA A 72 14.264 11.083 13.689 1.00 0.00 C ATOM 1041 O ALA A 72 14.477 11.473 12.540 1.00 0.00 O ATOM 1042 CB ALA A 72 15.308 8.983 14.533 1.00 0.00 C ATOM 0 H ALA A 72 14.101 9.195 11.923 1.00 0.00 H new ATOM 0 HA ALA A 72 13.247 9.517 14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.612 9.518 15.432 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.121 7.938 14.779 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.102 9.044 13.788 1.00 0.00 H new ATOM 1048 N GLY A 73 14.218 11.895 14.730 1.00 0.00 N ATOM 1049 CA GLY A 73 14.461 13.315 14.578 1.00 0.00 C ATOM 1050 C GLY A 73 15.832 13.697 15.089 1.00 0.00 C ATOM 1051 O GLY A 73 16.313 13.123 16.065 1.00 0.00 O ATOM 0 H GLY A 73 14.016 11.596 15.684 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.373 13.590 13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.700 13.876 15.120 1.00 0.00 H new ATOM 1055 N ILE A 74 16.464 14.666 14.442 1.00 0.00 N ATOM 1056 CA ILE A 74 17.811 15.074 14.825 1.00 0.00 C ATOM 1057 C ILE A 74 17.772 15.880 16.123 1.00 0.00 C ATOM 1058 O ILE A 74 18.761 15.969 16.849 1.00 0.00 O ATOM 1059 CB ILE A 74 18.497 15.903 13.712 1.00 0.00 C ATOM 1060 CG1 ILE A 74 20.009 15.956 13.942 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.921 17.314 13.657 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.768 16.690 12.857 1.00 0.00 C ATOM 0 H ILE A 74 16.071 15.182 13.655 1.00 0.00 H new ATOM 0 HA ILE A 74 18.397 14.167 14.978 1.00 0.00 H new ATOM 0 HB ILE A 74 18.305 15.416 12.756 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.205 16.439 14.899 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.392 14.938 14.015 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.417 17.879 12.868 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.852 17.263 13.449 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.081 17.810 14.614 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.833 16.685 13.091 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.604 16.195 11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 74 20.414 17.719 12.798 1.00 0.00 H new ATOM 1074 N ASP A 75 16.609 16.448 16.412 1.00 0.00 N ATOM 1075 CA ASP A 75 16.429 17.258 17.607 1.00 0.00 C ATOM 1076 C ASP A 75 16.316 16.364 18.837 1.00 0.00 C ATOM 1077 O ASP A 75 16.682 16.758 19.943 1.00 0.00 O ATOM 1078 CB ASP A 75 15.185 18.136 17.460 1.00 0.00 C ATOM 1079 CG ASP A 75 15.086 19.199 18.537 1.00 0.00 C ATOM 1080 OD1 ASP A 75 15.887 20.160 18.501 1.00 0.00 O ATOM 1081 OD2 ASP A 75 14.201 19.088 19.406 1.00 0.00 O ATOM 0 H ASP A 75 15.774 16.362 15.832 1.00 0.00 H new ATOM 0 HA ASP A 75 17.297 17.905 17.733 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.198 18.616 16.482 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.296 17.507 17.494 1.00 0.00 H new ATOM 1086 N ASP A 76 15.832 15.145 18.625 1.00 0.00 N ATOM 1087 CA ASP A 76 15.734 14.158 19.697 1.00 0.00 C ATOM 1088 C ASP A 76 17.120 13.688 20.115 1.00 0.00 C ATOM 1089 O ASP A 76 17.336 13.288 21.259 1.00 0.00 O ATOM 1090 CB ASP A 76 14.907 12.948 19.249 1.00 0.00 C ATOM 1091 CG ASP A 76 13.447 13.273 19.018 1.00 0.00 C ATOM 1092 OD1 ASP A 76 13.113 13.793 17.933 1.00 0.00 O ATOM 1093 OD2 ASP A 76 12.620 12.984 19.912 1.00 0.00 O ATOM 0 H ASP A 76 15.500 14.815 17.719 1.00 0.00 H new ATOM 0 HA ASP A 76 15.240 14.634 20.544 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.333 12.546 18.329 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.983 12.165 20.004 1.00 0.00 H new ATOM 1098 N LEU A 77 18.062 13.766 19.180 1.00 0.00 N ATOM 1099 CA LEU A 77 19.420 13.278 19.399 1.00 0.00 C ATOM 1100 C LEU A 77 20.282 14.327 20.100 1.00 0.00 C ATOM 1101 O LEU A 77 21.503 14.186 20.193 1.00 0.00 O ATOM 1102 CB LEU A 77 20.061 12.895 18.062 1.00 0.00 C ATOM 1103 CG LEU A 77 19.302 11.842 17.249 1.00 0.00 C ATOM 1104 CD1 LEU A 77 19.995 11.598 15.918 1.00 0.00 C ATOM 1105 CD2 LEU A 77 19.183 10.541 18.032 1.00 0.00 C ATOM 0 H LEU A 77 17.907 14.167 18.255 1.00 0.00 H new ATOM 0 HA LEU A 77 19.360 12.400 20.042 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.162 13.795 17.455 1.00 0.00 H new ATOM 0 HB3 LEU A 77 21.068 12.525 18.254 1.00 0.00 H new ATOM 0 HG LEU A 77 18.298 12.218 17.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.443 10.847 15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.029 12.528 15.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 21.010 11.244 16.096 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.641 9.806 17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 20.179 10.160 18.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 18.644 10.724 18.962 1.00 0.00 H new ATOM 1117 N LYS A 78 19.643 15.379 20.590 1.00 0.00 N ATOM 1118 CA LYS A 78 20.351 16.446 21.283 1.00 0.00 C ATOM 1119 C LYS A 78 20.239 16.272 22.793 1.00 0.00 C ATOM 1120 O LYS A 78 20.688 17.124 23.560 1.00 0.00 O ATOM 1121 CB LYS A 78 19.782 17.810 20.890 1.00 0.00 C ATOM 1122 CG LYS A 78 19.843 18.104 19.401 1.00 0.00 C ATOM 1123 CD LYS A 78 19.136 19.409 19.080 1.00 0.00 C ATOM 1124 CE LYS A 78 19.060 19.662 17.585 1.00 0.00 C ATOM 1125 NZ LYS A 78 18.209 20.841 17.283 1.00 0.00 N ATOM 0 H LYS A 78 18.635 15.517 20.521 1.00 0.00 H new ATOM 0 HA LYS A 78 21.400 16.395 20.993 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.744 17.866 21.218 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.328 18.587 21.425 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.883 18.160 19.079 1.00 0.00 H new ATOM 0 HG3 LYS A 78 19.380 17.288 18.845 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.129 19.387 19.496 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.662 20.234 19.561 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.063 19.823 17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.657 18.782 17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.994 20.862 16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.323 20.777 17.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.714 21.711 17.548 1.00 0.00 H new ATOM 1177 N ALA B 2 13.910 -2.691 -16.338 1.00 0.00 N ATOM 1178 CA ALA B 2 14.167 -1.651 -15.362 1.00 0.00 C ATOM 1179 C ALA B 2 12.953 -1.466 -14.468 1.00 0.00 C ATOM 1180 O ALA B 2 11.828 -1.336 -14.956 1.00 0.00 O ATOM 1181 CB ALA B 2 14.523 -0.343 -16.059 1.00 0.00 C ATOM 0 HA ALA B 2 15.014 -1.950 -14.744 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.713 0.427 -15.312 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.416 -0.486 -16.668 1.00 0.00 H new ATOM 0 HB3 ALA B 2 13.695 -0.034 -16.697 1.00 0.00 H new ATOM 1187 N SER B 3 13.178 -1.482 -13.163 1.00 0.00 N ATOM 1188 CA SER B 3 12.111 -1.280 -12.196 1.00 0.00 C ATOM 1189 C SER B 3 11.608 0.162 -12.265 1.00 0.00 C ATOM 1190 O SER B 3 12.172 0.991 -12.986 1.00 0.00 O ATOM 1191 CB SER B 3 12.631 -1.608 -10.799 1.00 0.00 C ATOM 1192 OG SER B 3 13.404 -2.796 -10.828 1.00 0.00 O ATOM 0 H SER B 3 14.097 -1.634 -12.748 1.00 0.00 H new ATOM 0 HA SER B 3 11.275 -1.941 -12.426 1.00 0.00 H new ATOM 0 HB2 SER B 3 13.236 -0.782 -10.425 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.794 -1.727 -10.111 1.00 0.00 H new ATOM 0 HG SER B 3 13.733 -2.994 -9.926 1.00 0.00 H new ATOM 1198 N LYS B 4 10.558 0.477 -11.524 1.00 0.00 N ATOM 1199 CA LYS B 4 9.973 1.800 -11.623 1.00 0.00 C ATOM 1200 C LYS B 4 9.868 2.489 -10.272 1.00 0.00 C ATOM 1201 O LYS B 4 9.863 1.846 -9.226 1.00 0.00 O ATOM 1202 CB LYS B 4 8.598 1.732 -12.285 1.00 0.00 C ATOM 1203 CG LYS B 4 7.520 1.046 -11.463 1.00 0.00 C ATOM 1204 CD LYS B 4 6.201 1.104 -12.211 1.00 0.00 C ATOM 1205 CE LYS B 4 5.026 0.639 -11.374 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.740 0.874 -12.083 1.00 0.00 N ATOM 0 H LYS B 4 10.103 -0.151 -10.862 1.00 0.00 H new ATOM 0 HA LYS B 4 10.643 2.396 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.270 2.747 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.695 1.209 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.797 0.009 -11.273 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.422 1.533 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.022 2.127 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.270 0.486 -13.106 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.133 -0.422 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.022 1.168 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.948 0.724 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.714 1.851 -12.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.657 0.212 -12.881 1.00 0.00 H new ATOM 1220 N ALA B 5 9.795 3.807 -10.322 1.00 0.00 N ATOM 1221 CA ALA B 5 9.625 4.629 -9.141 1.00 0.00 C ATOM 1222 C ALA B 5 8.298 5.370 -9.215 1.00 0.00 C ATOM 1223 O ALA B 5 8.093 6.210 -10.091 1.00 0.00 O ATOM 1224 CB ALA B 5 10.781 5.610 -9.013 1.00 0.00 C ATOM 0 H ALA B 5 9.853 4.339 -11.190 1.00 0.00 H new ATOM 0 HA ALA B 5 9.619 3.990 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA B 5 10.642 6.222 -8.122 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.718 5.059 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.812 6.252 -9.893 1.00 0.00 H new ATOM 1230 N ILE B 6 7.393 5.042 -8.308 1.00 0.00 N ATOM 1231 CA ILE B 6 6.067 5.638 -8.302 1.00 0.00 C ATOM 1232 C ILE B 6 6.016 6.802 -7.324 1.00 0.00 C ATOM 1233 O ILE B 6 6.084 6.607 -6.112 1.00 0.00 O ATOM 1234 CB ILE B 6 4.983 4.617 -7.907 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.197 3.287 -8.633 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.604 5.175 -8.225 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.271 2.186 -8.157 1.00 0.00 C ATOM 0 H ILE B 6 7.553 4.363 -7.563 1.00 0.00 H new ATOM 0 HA ILE B 6 5.869 5.986 -9.316 1.00 0.00 H new ATOM 0 HB ILE B 6 5.055 4.434 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.051 3.438 -9.703 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.230 2.968 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.843 4.447 -7.943 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.448 6.098 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.532 5.380 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.477 1.272 -8.713 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.433 2.008 -7.094 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.236 2.485 -8.321 1.00 0.00 H new ATOM 1249 N PHE B 7 5.907 8.007 -7.847 1.00 0.00 N ATOM 1250 CA PHE B 7 5.863 9.193 -7.009 1.00 0.00 C ATOM 1251 C PHE B 7 4.419 9.616 -6.771 1.00 0.00 C ATOM 1252 O PHE B 7 3.715 10.010 -7.702 1.00 0.00 O ATOM 1253 CB PHE B 7 6.656 10.332 -7.656 1.00 0.00 C ATOM 1254 CG PHE B 7 6.747 11.570 -6.806 1.00 0.00 C ATOM 1255 CD1 PHE B 7 7.589 11.608 -5.707 1.00 0.00 C ATOM 1256 CD2 PHE B 7 5.991 12.691 -7.105 1.00 0.00 C ATOM 1257 CE1 PHE B 7 7.676 12.743 -4.922 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.075 13.828 -6.324 1.00 0.00 C ATOM 1259 CZ PHE B 7 6.918 13.853 -5.231 1.00 0.00 C ATOM 0 H PHE B 7 5.847 8.193 -8.848 1.00 0.00 H new ATOM 0 HA PHE B 7 6.319 8.959 -6.047 1.00 0.00 H new ATOM 0 HB2 PHE B 7 7.664 9.980 -7.877 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.192 10.590 -8.608 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.184 10.741 -5.460 1.00 0.00 H new ATOM 0 HD2 PHE B 7 5.329 12.677 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.337 12.760 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE B 7 5.481 14.697 -6.569 1.00 0.00 H new ATOM 0 HZ PHE B 7 6.984 14.740 -4.619 1.00 0.00 H new ATOM 1269 N TYR B 8 3.985 9.518 -5.525 1.00 0.00 N ATOM 1270 CA TYR B 8 2.631 9.900 -5.152 1.00 0.00 C ATOM 1271 C TYR B 8 2.623 11.312 -4.583 1.00 0.00 C ATOM 1272 O TYR B 8 3.366 11.617 -3.645 1.00 0.00 O ATOM 1273 CB TYR B 8 2.056 8.926 -4.119 1.00 0.00 C ATOM 1274 CG TYR B 8 1.817 7.527 -4.645 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.766 7.262 -5.513 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.632 6.469 -4.261 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.532 5.984 -5.982 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.406 5.188 -4.729 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.354 4.951 -5.589 1.00 0.00 C ATOM 1280 OH TYR B 8 1.121 3.674 -6.055 1.00 0.00 O ATOM 0 H TYR B 8 4.553 9.175 -4.750 1.00 0.00 H new ATOM 0 HA TYR B 8 2.010 9.867 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR B 8 2.738 8.871 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.114 9.326 -3.745 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.120 8.069 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.455 6.650 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.292 5.796 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR B 8 3.050 4.377 -4.423 1.00 0.00 H new ATOM 0 HH TYR B 8 1.791 3.063 -5.684 1.00 0.00 H new ATOM 1290 N HIS B 9 1.796 12.175 -5.152 1.00 0.00 N ATOM 1291 CA HIS B 9 1.701 13.547 -4.681 1.00 0.00 C ATOM 1292 C HIS B 9 0.272 14.065 -4.802 1.00 0.00 C ATOM 1293 O HIS B 9 -0.626 13.339 -5.233 1.00 0.00 O ATOM 1294 CB HIS B 9 2.667 14.452 -5.458 1.00 0.00 C ATOM 1295 CG HIS B 9 2.231 14.784 -6.854 1.00 0.00 C ATOM 1296 ND1 HIS B 9 1.819 16.052 -7.185 1.00 0.00 N ATOM 1297 CD2 HIS B 9 2.173 13.997 -7.954 1.00 0.00 C ATOM 1298 CE1 HIS B 9 1.522 16.011 -8.472 1.00 0.00 C ATOM 1299 NE2 HIS B 9 1.721 14.786 -8.981 1.00 0.00 N ATOM 0 H HIS B 9 1.184 11.951 -5.937 1.00 0.00 H new ATOM 0 HA HIS B 9 1.982 13.564 -3.628 1.00 0.00 H new ATOM 0 HB2 HIS B 9 2.799 15.381 -4.903 1.00 0.00 H new ATOM 0 HB3 HIS B 9 3.642 13.966 -5.502 1.00 0.00 H new ATOM 0 HD2 HIS B 9 2.432 12.950 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.165 16.856 -9.042 1.00 0.00 H new ATOM 0 HE2 HIS B 9 1.566 14.497 -9.947 1.00 0.00 H new ATOM 1307 N ALA B 10 0.073 15.321 -4.421 1.00 0.00 N ATOM 1308 CA ALA B 10 -1.241 15.943 -4.484 1.00 0.00 C ATOM 1309 C ALA B 10 -1.124 17.434 -4.785 1.00 0.00 C ATOM 1310 O ALA B 10 -2.053 18.201 -4.535 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.985 15.724 -3.174 1.00 0.00 C ATOM 0 H ALA B 10 0.809 15.930 -4.064 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.804 15.478 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.967 16.193 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -2.103 14.655 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -1.418 16.167 -2.355 1.00 0.00 H new ATOM 1317 N GLY B 11 0.007 17.840 -5.353 1.00 0.00 N ATOM 1318 CA GLY B 11 0.229 19.246 -5.622 1.00 0.00 C ATOM 1319 C GLY B 11 0.838 19.963 -4.435 1.00 0.00 C ATOM 1320 O GLY B 11 0.143 20.660 -3.691 1.00 0.00 O ATOM 0 H GLY B 11 0.770 17.222 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY B 11 0.887 19.350 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.718 19.719 -5.884 1.00 0.00 H new ATOM 1324 N CYS B 12 2.135 19.780 -4.247 1.00 0.00 N ATOM 1325 CA CYS B 12 2.842 20.391 -3.133 1.00 0.00 C ATOM 1326 C CYS B 12 4.196 20.919 -3.600 1.00 0.00 C ATOM 1327 O CYS B 12 4.789 20.369 -4.529 1.00 0.00 O ATOM 1328 CB CYS B 12 3.045 19.368 -2.011 1.00 0.00 C ATOM 1329 SG CYS B 12 1.531 18.534 -1.474 1.00 0.00 S ATOM 0 H CYS B 12 2.722 19.210 -4.855 1.00 0.00 H new ATOM 0 HA CYS B 12 2.246 21.221 -2.753 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.760 18.616 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS B 12 3.491 19.872 -1.153 1.00 0.00 H new ATOM 0 HG CYS B 12 1.813 17.690 -0.526 1.00 0.00 H new ATOM 1335 N PRO B 13 4.702 21.994 -2.967 1.00 0.00 N ATOM 1336 CA PRO B 13 6.031 22.546 -3.272 1.00 0.00 C ATOM 1337 C PRO B 13 7.123 21.486 -3.164 1.00 0.00 C ATOM 1338 O PRO B 13 8.059 21.451 -3.964 1.00 0.00 O ATOM 1339 CB PRO B 13 6.222 23.622 -2.201 1.00 0.00 C ATOM 1340 CG PRO B 13 4.842 24.017 -1.811 1.00 0.00 C ATOM 1341 CD PRO B 13 4.012 22.770 -1.920 1.00 0.00 C ATOM 0 HA PRO B 13 6.096 22.928 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO B 13 6.779 23.236 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO B 13 6.782 24.472 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.821 24.413 -0.796 1.00 0.00 H new ATOM 0 HG3 PRO B 13 4.460 24.800 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO B 13 3.975 22.227 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.983 22.995 -2.199 1.00 0.00 H new ATOM 1349 N VAL B 14 6.975 20.610 -2.175 1.00 0.00 N ATOM 1350 CA VAL B 14 7.902 19.504 -1.968 1.00 0.00 C ATOM 1351 C VAL B 14 7.972 18.616 -3.209 1.00 0.00 C ATOM 1352 O VAL B 14 9.045 18.162 -3.600 1.00 0.00 O ATOM 1353 CB VAL B 14 7.479 18.648 -0.752 1.00 0.00 C ATOM 1354 CG1 VAL B 14 8.451 17.498 -0.524 1.00 0.00 C ATOM 1355 CG2 VAL B 14 7.369 19.511 0.497 1.00 0.00 C ATOM 0 H VAL B 14 6.213 20.647 -1.498 1.00 0.00 H new ATOM 0 HA VAL B 14 8.886 19.933 -1.777 1.00 0.00 H new ATOM 0 HB VAL B 14 6.499 18.221 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL B 14 8.128 16.914 0.338 1.00 0.00 H new ATOM 0 HG12 VAL B 14 8.473 16.860 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL B 14 9.449 17.896 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL B 14 7.070 18.891 1.342 1.00 0.00 H new ATOM 0 HG22 VAL B 14 8.334 19.971 0.708 1.00 0.00 H new ATOM 0 HG23 VAL B 14 6.623 20.290 0.337 1.00 0.00 H new ATOM 1365 N CYS B 15 6.821 18.403 -3.839 1.00 0.00 N ATOM 1366 CA CYS B 15 6.724 17.532 -5.005 1.00 0.00 C ATOM 1367 C CYS B 15 7.500 18.105 -6.182 1.00 0.00 C ATOM 1368 O CYS B 15 8.113 17.367 -6.952 1.00 0.00 O ATOM 1369 CB CYS B 15 5.260 17.354 -5.398 1.00 0.00 C ATOM 1370 SG CYS B 15 4.189 16.909 -4.015 1.00 0.00 S ATOM 0 H CYS B 15 5.936 18.825 -3.559 1.00 0.00 H new ATOM 0 HA CYS B 15 7.156 16.566 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.897 18.280 -5.844 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.190 16.582 -6.164 1.00 0.00 H new ATOM 0 HG CYS B 15 4.346 15.650 -3.732 1.00 0.00 H new ATOM 1376 N VAL B 16 7.470 19.424 -6.312 1.00 0.00 N ATOM 1377 CA VAL B 16 8.156 20.102 -7.400 1.00 0.00 C ATOM 1378 C VAL B 16 9.661 19.878 -7.298 1.00 0.00 C ATOM 1379 O VAL B 16 10.288 19.365 -8.226 1.00 0.00 O ATOM 1380 CB VAL B 16 7.850 21.615 -7.396 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.510 22.305 -8.583 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.346 21.855 -7.399 1.00 0.00 C ATOM 0 H VAL B 16 6.975 20.047 -5.674 1.00 0.00 H new ATOM 0 HA VAL B 16 7.793 19.681 -8.338 1.00 0.00 H new ATOM 0 HB VAL B 16 8.264 22.045 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.280 23.370 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.590 22.166 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.133 21.874 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.149 22.927 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.908 21.408 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.904 21.402 -6.512 1.00 0.00 H new ATOM 1392 N SER B 17 10.227 20.231 -6.153 1.00 0.00 N ATOM 1393 CA SER B 17 11.655 20.072 -5.926 1.00 0.00 C ATOM 1394 C SER B 17 12.059 18.595 -5.951 1.00 0.00 C ATOM 1395 O SER B 17 13.117 18.242 -6.470 1.00 0.00 O ATOM 1396 CB SER B 17 12.040 20.715 -4.594 1.00 0.00 C ATOM 1397 OG SER B 17 11.656 22.080 -4.565 1.00 0.00 O ATOM 0 H SER B 17 9.717 20.630 -5.365 1.00 0.00 H new ATOM 0 HA SER B 17 12.192 20.573 -6.732 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.560 20.180 -3.774 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.116 20.632 -4.442 1.00 0.00 H new ATOM 0 HG SER B 17 11.910 22.473 -3.704 1.00 0.00 H new ATOM 1403 N ALA B 18 11.203 17.729 -5.414 1.00 0.00 N ATOM 1404 CA ALA B 18 11.480 16.297 -5.390 1.00 0.00 C ATOM 1405 C ALA B 18 11.566 15.733 -6.804 1.00 0.00 C ATOM 1406 O ALA B 18 12.394 14.868 -7.087 1.00 0.00 O ATOM 1407 CB ALA B 18 10.418 15.557 -4.593 1.00 0.00 C ATOM 0 H ALA B 18 10.314 17.994 -4.991 1.00 0.00 H new ATOM 0 HA ALA B 18 12.445 16.152 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.644 14.491 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.406 15.930 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.442 15.719 -5.050 1.00 0.00 H new ATOM 1413 N GLU B 19 10.718 16.236 -7.687 1.00 0.00 N ATOM 1414 CA GLU B 19 10.702 15.794 -9.076 1.00 0.00 C ATOM 1415 C GLU B 19 11.962 16.256 -9.805 1.00 0.00 C ATOM 1416 O GLU B 19 12.492 15.552 -10.667 1.00 0.00 O ATOM 1417 CB GLU B 19 9.455 16.336 -9.780 1.00 0.00 C ATOM 1418 CG GLU B 19 9.331 15.918 -11.237 1.00 0.00 C ATOM 1419 CD GLU B 19 8.124 16.537 -11.911 1.00 0.00 C ATOM 1420 OE1 GLU B 19 8.113 17.773 -12.101 1.00 0.00 O ATOM 1421 OE2 GLU B 19 7.179 15.795 -12.258 1.00 0.00 O ATOM 0 H GLU B 19 10.028 16.954 -7.467 1.00 0.00 H new ATOM 0 HA GLU B 19 10.678 14.704 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.571 15.998 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.465 17.425 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU B 19 10.234 16.209 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU B 19 9.261 14.832 -11.297 1.00 0.00 H new ATOM 1428 N GLN B 20 12.454 17.431 -9.438 1.00 0.00 N ATOM 1429 CA GLN B 20 13.603 18.016 -10.115 1.00 0.00 C ATOM 1430 C GLN B 20 14.915 17.637 -9.428 1.00 0.00 C ATOM 1431 O GLN B 20 15.992 18.014 -9.884 1.00 0.00 O ATOM 1432 CB GLN B 20 13.460 19.537 -10.172 1.00 0.00 C ATOM 1433 CG GLN B 20 12.117 19.993 -10.718 1.00 0.00 C ATOM 1434 CD GLN B 20 12.017 21.498 -10.850 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.674 22.244 -10.123 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.177 21.955 -11.764 1.00 0.00 N ATOM 0 H GLN B 20 12.077 17.997 -8.678 1.00 0.00 H new ATOM 0 HA GLN B 20 13.631 17.617 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.595 19.946 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.256 19.947 -10.794 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.953 19.536 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.323 19.637 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.652 21.302 -12.346 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.055 22.960 -11.887 1.00 0.00 H new ATOM 1445 N ALA B 21 14.826 16.900 -8.329 1.00 0.00 N ATOM 1446 CA ALA B 21 16.022 16.453 -7.625 1.00 0.00 C ATOM 1447 C ALA B 21 16.040 14.935 -7.460 1.00 0.00 C ATOM 1448 O ALA B 21 16.864 14.251 -8.062 1.00 0.00 O ATOM 1449 CB ALA B 21 16.134 17.137 -6.274 1.00 0.00 C ATOM 0 H ALA B 21 13.947 16.601 -7.908 1.00 0.00 H new ATOM 0 HA ALA B 21 16.885 16.731 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA B 21 17.033 16.790 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.191 18.216 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.259 16.896 -5.671 1.00 0.00 H new ATOM 1455 N VAL B 22 15.120 14.411 -6.658 1.00 0.00 N ATOM 1456 CA VAL B 22 15.061 12.975 -6.392 1.00 0.00 C ATOM 1457 C VAL B 22 14.707 12.207 -7.662 1.00 0.00 C ATOM 1458 O VAL B 22 15.377 11.239 -8.024 1.00 0.00 O ATOM 1459 CB VAL B 22 14.031 12.639 -5.293 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.071 11.155 -4.950 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.276 13.483 -4.051 1.00 0.00 C ATOM 0 H VAL B 22 14.404 14.958 -6.180 1.00 0.00 H new ATOM 0 HA VAL B 22 16.049 12.674 -6.044 1.00 0.00 H new ATOM 0 HB VAL B 22 13.038 12.873 -5.676 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.337 10.941 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL B 22 13.839 10.570 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.066 10.891 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.539 13.231 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.277 13.285 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.188 14.539 -4.306 1.00 0.00 H new ATOM 1471 N ALA B 23 13.671 12.667 -8.354 1.00 0.00 N ATOM 1472 CA ALA B 23 13.236 12.038 -9.595 1.00 0.00 C ATOM 1473 C ALA B 23 14.132 12.453 -10.758 1.00 0.00 C ATOM 1474 O ALA B 23 13.847 12.158 -11.918 1.00 0.00 O ATOM 1475 CB ALA B 23 11.783 12.386 -9.884 1.00 0.00 C ATOM 0 H ALA B 23 13.115 13.476 -8.075 1.00 0.00 H new ATOM 0 HA ALA B 23 13.316 10.957 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.473 11.909 -10.814 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.155 12.032 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.680 13.467 -9.979 1.00 0.00 H new ATOM 1481 N ASN B 24 15.208 13.156 -10.437 1.00 0.00 N ATOM 1482 CA ASN B 24 16.203 13.530 -11.428 1.00 0.00 C ATOM 1483 C ASN B 24 17.466 12.712 -11.205 1.00 0.00 C ATOM 1484 O ASN B 24 18.181 12.365 -12.150 1.00 0.00 O ATOM 1485 CB ASN B 24 16.509 15.025 -11.335 1.00 0.00 C ATOM 1486 CG ASN B 24 17.344 15.523 -12.497 1.00 0.00 C ATOM 1487 OD1 ASN B 24 18.571 15.582 -12.422 1.00 0.00 O ATOM 1488 ND2 ASN B 24 16.679 15.886 -13.584 1.00 0.00 N ATOM 0 H ASN B 24 15.414 13.480 -9.492 1.00 0.00 H new ATOM 0 HA ASN B 24 15.815 13.325 -12.426 1.00 0.00 H new ATOM 0 HB2 ASN B 24 15.573 15.582 -11.300 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.035 15.227 -10.402 1.00 0.00 H new ATOM 0 HD21 ASN B 24 17.185 16.230 -14.400 1.00 0.00 H new ATOM 0 HD22 ASN B 24 15.661 15.821 -13.605 1.00 0.00 H new ATOM 1495 N ALA B 25 17.729 12.402 -9.938 1.00 0.00 N ATOM 1496 CA ALA B 25 18.817 11.512 -9.570 1.00 0.00 C ATOM 1497 C ALA B 25 18.519 10.105 -10.070 1.00 0.00 C ATOM 1498 O ALA B 25 19.414 9.382 -10.505 1.00 0.00 O ATOM 1499 CB ALA B 25 19.025 11.515 -8.063 1.00 0.00 C ATOM 0 H ALA B 25 17.196 12.760 -9.146 1.00 0.00 H new ATOM 0 HA ALA B 25 19.737 11.865 -10.036 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.844 10.843 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA B 25 19.267 12.525 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA B 25 18.113 11.180 -7.569 1.00 0.00 H new ATOM 1505 N ILE B 26 17.253 9.730 -10.008 1.00 0.00 N ATOM 1506 CA ILE B 26 16.805 8.477 -10.583 1.00 0.00 C ATOM 1507 C ILE B 26 16.313 8.726 -12.004 1.00 0.00 C ATOM 1508 O ILE B 26 15.133 8.990 -12.229 1.00 0.00 O ATOM 1509 CB ILE B 26 15.680 7.827 -9.746 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.117 7.693 -8.284 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.313 6.463 -10.319 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.036 7.152 -7.371 1.00 0.00 C ATOM 0 H ILE B 26 16.517 10.278 -9.564 1.00 0.00 H new ATOM 0 HA ILE B 26 17.648 7.787 -10.590 1.00 0.00 H new ATOM 0 HB ILE B 26 14.799 8.468 -9.788 1.00 0.00 H new ATOM 0 HG12 ILE B 26 16.985 7.036 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.434 8.670 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.519 6.018 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE B 26 14.968 6.581 -11.346 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.188 5.814 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.419 7.085 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.175 7.820 -7.391 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.735 6.161 -7.711 1.00 0.00 H new ATOM 1524 N ASP B 27 17.236 8.693 -12.953 1.00 0.00 N ATOM 1525 CA ASP B 27 16.902 8.944 -14.348 1.00 0.00 C ATOM 1526 C ASP B 27 16.386 7.669 -15.012 1.00 0.00 C ATOM 1527 O ASP B 27 16.669 6.563 -14.539 1.00 0.00 O ATOM 1528 CB ASP B 27 18.113 9.515 -15.107 1.00 0.00 C ATOM 1529 CG ASP B 27 19.339 8.629 -15.048 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.432 7.679 -15.848 1.00 0.00 O ATOM 1531 OD2 ASP B 27 20.233 8.904 -14.215 1.00 0.00 O ATOM 0 H ASP B 27 18.222 8.495 -12.783 1.00 0.00 H new ATOM 0 HA ASP B 27 16.107 9.689 -14.383 1.00 0.00 H new ATOM 0 HB2 ASP B 27 17.837 9.670 -16.150 1.00 0.00 H new ATOM 0 HB3 ASP B 27 18.362 10.493 -14.694 1.00 0.00 H new ATOM 1536 N PRO B 28 15.615 7.806 -16.114 1.00 0.00 N ATOM 1537 CA PRO B 28 14.956 6.672 -16.789 1.00 0.00 C ATOM 1538 C PRO B 28 15.925 5.630 -17.352 1.00 0.00 C ATOM 1539 O PRO B 28 15.500 4.585 -17.846 1.00 0.00 O ATOM 1540 CB PRO B 28 14.172 7.331 -17.930 1.00 0.00 C ATOM 1541 CG PRO B 28 14.825 8.652 -18.135 1.00 0.00 C ATOM 1542 CD PRO B 28 15.305 9.084 -16.781 1.00 0.00 C ATOM 0 HA PRO B 28 14.342 6.113 -16.083 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.212 6.727 -18.836 1.00 0.00 H new ATOM 0 HB3 PRO B 28 13.120 7.447 -17.670 1.00 0.00 H new ATOM 0 HG2 PRO B 28 15.655 8.573 -18.837 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.123 9.375 -18.550 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.183 9.726 -16.850 1.00 0.00 H new ATOM 0 HD3 PRO B 28 14.541 9.645 -16.242 1.00 0.00 H new ATOM 1550 N SER B 29 17.217 5.912 -17.283 1.00 0.00 N ATOM 1551 CA SER B 29 18.223 4.963 -17.731 1.00 0.00 C ATOM 1552 C SER B 29 18.522 3.971 -16.612 1.00 0.00 C ATOM 1553 O SER B 29 19.136 2.923 -16.828 1.00 0.00 O ATOM 1554 CB SER B 29 19.496 5.701 -18.139 1.00 0.00 C ATOM 1555 OG SER B 29 19.183 6.908 -18.819 1.00 0.00 O ATOM 0 H SER B 29 17.593 6.789 -16.922 1.00 0.00 H new ATOM 0 HA SER B 29 17.845 4.420 -18.597 1.00 0.00 H new ATOM 0 HB2 SER B 29 20.094 5.921 -17.254 1.00 0.00 H new ATOM 0 HB3 SER B 29 20.102 5.063 -18.782 1.00 0.00 H new ATOM 0 HG SER B 29 19.130 7.643 -18.173 1.00 0.00 H new ATOM 1561 N LYS B 30 18.089 4.318 -15.407 1.00 0.00 N ATOM 1562 CA LYS B 30 18.209 3.434 -14.263 1.00 0.00 C ATOM 1563 C LYS B 30 16.858 2.805 -13.961 1.00 0.00 C ATOM 1564 O LYS B 30 16.711 1.583 -13.968 1.00 0.00 O ATOM 1565 CB LYS B 30 18.703 4.196 -13.032 1.00 0.00 C ATOM 1566 CG LYS B 30 20.072 4.832 -13.198 1.00 0.00 C ATOM 1567 CD LYS B 30 20.541 5.457 -11.894 1.00 0.00 C ATOM 1568 CE LYS B 30 21.926 6.069 -12.022 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.941 5.078 -12.469 1.00 0.00 N ATOM 0 H LYS B 30 17.648 5.214 -15.199 1.00 0.00 H new ATOM 0 HA LYS B 30 18.935 2.657 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS B 30 17.981 4.975 -12.787 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.734 3.512 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS B 30 20.790 4.080 -13.524 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.032 5.593 -13.977 1.00 0.00 H new ATOM 0 HD2 LYS B 30 19.832 6.225 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS B 30 20.551 4.699 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.891 6.896 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS B 30 22.227 6.486 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.894 5.458 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.822 4.194 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 22.818 4.889 -13.484 1.00 0.00 H new ATOM 1583 N TYR B 31 15.872 3.658 -13.704 1.00 0.00 N ATOM 1584 CA TYR B 31 14.524 3.214 -13.381 1.00 0.00 C ATOM 1585 C TYR B 31 13.506 4.125 -14.054 1.00 0.00 C ATOM 1586 O TYR B 31 13.811 5.273 -14.366 1.00 0.00 O ATOM 1587 CB TYR B 31 14.300 3.222 -11.863 1.00 0.00 C ATOM 1588 CG TYR B 31 15.204 2.278 -11.100 1.00 0.00 C ATOM 1589 CD1 TYR B 31 14.950 0.913 -11.079 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.306 2.749 -10.398 1.00 0.00 C ATOM 1591 CE1 TYR B 31 15.765 0.046 -10.381 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.130 1.886 -9.697 1.00 0.00 C ATOM 1593 CZ TYR B 31 16.853 0.535 -9.692 1.00 0.00 C ATOM 1594 OH TYR B 31 17.666 -0.330 -8.997 1.00 0.00 O ATOM 0 H TYR B 31 15.985 4.672 -13.714 1.00 0.00 H new ATOM 0 HA TYR B 31 14.399 2.195 -13.746 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.452 4.235 -11.489 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.262 2.959 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR B 31 14.099 0.523 -11.619 1.00 0.00 H new ATOM 0 HD2 TYR B 31 16.524 3.807 -10.399 1.00 0.00 H new ATOM 0 HE1 TYR B 31 15.551 -1.013 -10.375 1.00 0.00 H new ATOM 0 HE2 TYR B 31 17.984 2.268 -9.158 1.00 0.00 H new ATOM 0 HH TYR B 31 18.388 0.174 -8.567 1.00 0.00 H new ATOM 1604 N THR B 32 12.304 3.618 -14.281 1.00 0.00 N ATOM 1605 CA THR B 32 11.258 4.413 -14.905 1.00 0.00 C ATOM 1606 C THR B 32 10.432 5.139 -13.846 1.00 0.00 C ATOM 1607 O THR B 32 9.980 4.535 -12.879 1.00 0.00 O ATOM 1608 CB THR B 32 10.341 3.543 -15.790 1.00 0.00 C ATOM 1609 OG1 THR B 32 9.915 2.376 -15.075 1.00 0.00 O ATOM 1610 CG2 THR B 32 11.059 3.125 -17.065 1.00 0.00 C ATOM 0 H THR B 32 12.030 2.665 -14.044 1.00 0.00 H new ATOM 0 HA THR B 32 11.742 5.152 -15.544 1.00 0.00 H new ATOM 0 HB THR B 32 9.468 4.139 -16.056 1.00 0.00 H new ATOM 0 HG1 THR B 32 9.333 1.835 -15.649 1.00 0.00 H new ATOM 0 HG21 THR B 32 10.393 2.513 -17.673 1.00 0.00 H new ATOM 0 HG22 THR B 32 11.350 4.013 -17.627 1.00 0.00 H new ATOM 0 HG23 THR B 32 11.949 2.550 -16.810 1.00 0.00 H new ATOM 1618 N VAL B 33 10.252 6.439 -14.017 1.00 0.00 N ATOM 1619 CA VAL B 33 9.541 7.242 -13.029 1.00 0.00 C ATOM 1620 C VAL B 33 8.091 7.464 -13.447 1.00 0.00 C ATOM 1621 O VAL B 33 7.818 7.915 -14.559 1.00 0.00 O ATOM 1622 CB VAL B 33 10.227 8.611 -12.819 1.00 0.00 C ATOM 1623 CG1 VAL B 33 9.537 9.398 -11.715 1.00 0.00 C ATOM 1624 CG2 VAL B 33 11.703 8.427 -12.502 1.00 0.00 C ATOM 0 H VAL B 33 10.586 6.961 -14.827 1.00 0.00 H new ATOM 0 HA VAL B 33 9.563 6.689 -12.090 1.00 0.00 H new ATOM 0 HB VAL B 33 10.142 9.179 -13.745 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.037 10.358 -11.585 1.00 0.00 H new ATOM 0 HG12 VAL B 33 8.494 9.566 -11.985 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.584 8.835 -10.783 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.168 9.402 -12.358 1.00 0.00 H new ATOM 0 HG22 VAL B 33 11.809 7.836 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.191 7.911 -13.329 1.00 0.00 H new ATOM 1634 N GLU B 34 7.167 7.134 -12.555 1.00 0.00 N ATOM 1635 CA GLU B 34 5.749 7.344 -12.803 1.00 0.00 C ATOM 1636 C GLU B 34 5.172 8.279 -11.746 1.00 0.00 C ATOM 1637 O GLU B 34 5.232 7.991 -10.550 1.00 0.00 O ATOM 1638 CB GLU B 34 4.989 6.012 -12.796 1.00 0.00 C ATOM 1639 CG GLU B 34 5.530 4.996 -13.790 1.00 0.00 C ATOM 1640 CD GLU B 34 4.668 3.753 -13.894 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.940 3.430 -12.927 1.00 0.00 O ATOM 1642 OE2 GLU B 34 4.709 3.090 -14.950 1.00 0.00 O ATOM 0 H GLU B 34 7.377 6.717 -11.648 1.00 0.00 H new ATOM 0 HA GLU B 34 5.635 7.797 -13.788 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.031 5.585 -11.794 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.939 6.201 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.606 5.462 -14.772 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.539 4.708 -13.494 1.00 0.00 H new ATOM 1649 N ILE B 35 4.632 9.406 -12.187 1.00 0.00 N ATOM 1650 CA ILE B 35 4.077 10.396 -11.275 1.00 0.00 C ATOM 1651 C ILE B 35 2.568 10.203 -11.144 1.00 0.00 C ATOM 1652 O ILE B 35 1.851 10.184 -12.145 1.00 0.00 O ATOM 1653 CB ILE B 35 4.369 11.833 -11.764 1.00 0.00 C ATOM 1654 CG1 ILE B 35 5.866 12.017 -12.052 1.00 0.00 C ATOM 1655 CG2 ILE B 35 3.896 12.853 -10.741 1.00 0.00 C ATOM 1656 CD1 ILE B 35 6.753 11.866 -10.834 1.00 0.00 C ATOM 0 H ILE B 35 4.566 9.658 -13.173 1.00 0.00 H new ATOM 0 HA ILE B 35 4.551 10.256 -10.303 1.00 0.00 H new ATOM 0 HB ILE B 35 3.820 11.994 -12.692 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.172 11.290 -12.804 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.023 13.006 -12.482 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.110 13.858 -11.104 1.00 0.00 H new ATOM 0 HG22 ILE B 35 2.822 12.744 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.416 12.689 -9.797 1.00 0.00 H new ATOM 0 HD11 ILE B 35 7.794 12.010 -11.122 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.476 12.611 -10.088 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.628 10.868 -10.414 1.00 0.00 H new ATOM 1668 N VAL B 36 2.088 10.054 -9.916 1.00 0.00 N ATOM 1669 CA VAL B 36 0.668 9.825 -9.672 1.00 0.00 C ATOM 1670 C VAL B 36 0.092 10.877 -8.726 1.00 0.00 C ATOM 1671 O VAL B 36 0.597 11.079 -7.620 1.00 0.00 O ATOM 1672 CB VAL B 36 0.415 8.421 -9.078 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -1.072 8.191 -8.851 1.00 0.00 C ATOM 1674 CG2 VAL B 36 0.991 7.340 -9.979 1.00 0.00 C ATOM 0 H VAL B 36 2.661 10.087 -9.073 1.00 0.00 H new ATOM 0 HA VAL B 36 0.168 9.898 -10.638 1.00 0.00 H new ATOM 0 HB VAL B 36 0.921 8.367 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.227 7.196 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.454 8.940 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.602 8.272 -9.800 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.800 6.361 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.520 7.395 -10.961 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.066 7.488 -10.083 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.967 11.540 -9.169 1.00 0.00 N ATOM 1685 CA HIS B 37 -1.654 12.530 -8.351 1.00 0.00 C ATOM 1686 C HIS B 37 -2.802 11.859 -7.599 1.00 0.00 C ATOM 1687 O HIS B 37 -3.821 11.498 -8.193 1.00 0.00 O ATOM 1688 CB HIS B 37 -2.184 13.661 -9.240 1.00 0.00 C ATOM 1689 CG HIS B 37 -2.600 14.896 -8.498 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -3.823 14.990 -7.877 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -1.933 16.062 -8.338 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -3.872 16.209 -7.362 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -2.750 16.895 -7.616 1.00 0.00 N ATOM 0 H HIS B 37 -1.371 11.409 -10.096 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.957 12.955 -7.628 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.413 13.929 -9.962 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.037 13.290 -9.808 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.945 16.293 -8.708 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -4.711 16.601 -6.807 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.543 17.851 -7.328 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.633 11.687 -6.293 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.618 10.978 -5.478 1.00 0.00 C ATOM 1703 C LEU B 38 -4.878 11.809 -5.271 1.00 0.00 C ATOM 1704 O LEU B 38 -5.922 11.285 -4.891 1.00 0.00 O ATOM 1705 CB LEU B 38 -3.019 10.583 -4.127 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.986 9.457 -4.180 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.467 9.143 -2.787 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.592 8.214 -4.811 1.00 0.00 C ATOM 0 H LEU B 38 -1.824 12.028 -5.774 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.897 10.074 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.553 11.462 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.829 10.281 -3.462 1.00 0.00 H new ATOM 0 HG LEU B 38 -1.148 9.787 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.733 8.339 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.999 10.032 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.296 8.832 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.845 7.421 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.446 7.885 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.920 8.444 -5.825 1.00 0.00 H new ATOM 1720 N GLY B 39 -4.786 13.102 -5.548 1.00 0.00 N ATOM 1721 CA GLY B 39 -5.943 13.967 -5.423 1.00 0.00 C ATOM 1722 C GLY B 39 -6.844 13.880 -6.638 1.00 0.00 C ATOM 1723 O GLY B 39 -7.800 14.645 -6.775 1.00 0.00 O ATOM 0 H GLY B 39 -3.933 13.568 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -6.507 13.693 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -5.614 14.997 -5.288 1.00 0.00 H new ATOM 1727 N THR B 40 -6.532 12.948 -7.530 1.00 0.00 N ATOM 1728 CA THR B 40 -7.309 12.759 -8.742 1.00 0.00 C ATOM 1729 C THR B 40 -8.135 11.470 -8.676 1.00 0.00 C ATOM 1730 O THR B 40 -9.125 11.321 -9.392 1.00 0.00 O ATOM 1731 CB THR B 40 -6.385 12.724 -9.978 1.00 0.00 C ATOM 1732 OG1 THR B 40 -5.523 13.872 -9.972 1.00 0.00 O ATOM 1733 CG2 THR B 40 -7.189 12.710 -11.271 1.00 0.00 C ATOM 0 H THR B 40 -5.742 12.310 -7.433 1.00 0.00 H new ATOM 0 HA THR B 40 -7.993 13.603 -8.831 1.00 0.00 H new ATOM 0 HB THR B 40 -5.793 11.810 -9.928 1.00 0.00 H new ATOM 0 HG1 THR B 40 -5.015 13.895 -9.134 1.00 0.00 H new ATOM 0 HG21 THR B 40 -6.509 12.685 -12.122 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.829 11.828 -11.292 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.806 13.607 -11.326 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.748 10.551 -7.797 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.423 9.259 -7.709 1.00 0.00 C ATOM 1743 C ASP B 41 -8.419 8.735 -6.277 1.00 0.00 C ATOM 1744 O ASP B 41 -7.374 8.686 -5.633 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.752 8.248 -8.639 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.457 6.907 -8.637 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.531 6.798 -9.267 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.942 5.962 -8.015 1.00 0.00 O ATOM 0 H ASP B 41 -6.977 10.674 -7.140 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.459 9.397 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.736 8.646 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.714 8.111 -8.334 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.591 8.339 -5.788 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.723 7.860 -4.414 1.00 0.00 C ATOM 1755 C LYS B 42 -9.317 6.395 -4.296 1.00 0.00 C ATOM 1756 O LYS B 42 -8.799 5.969 -3.265 1.00 0.00 O ATOM 1757 CB LYS B 42 -11.158 8.025 -3.905 1.00 0.00 C ATOM 1758 CG LYS B 42 -11.636 9.465 -3.830 1.00 0.00 C ATOM 1759 CD LYS B 42 -12.980 9.557 -3.120 1.00 0.00 C ATOM 1760 CE LYS B 42 -13.501 10.984 -3.072 1.00 0.00 C ATOM 1761 NZ LYS B 42 -13.914 11.477 -4.412 1.00 0.00 N ATOM 0 H LYS B 42 -10.461 8.340 -6.320 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.054 8.465 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.829 7.466 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.232 7.578 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.899 10.070 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -11.723 9.876 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -13.705 8.923 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -12.881 9.173 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -14.350 11.036 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -12.728 11.638 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -14.340 12.421 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -13.082 11.533 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -14.609 10.822 -4.824 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.547 5.630 -5.355 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.261 4.202 -5.341 1.00 0.00 C ATOM 1777 C ALA B 43 -7.767 3.948 -5.173 1.00 0.00 C ATOM 1778 O ALA B 43 -7.352 3.084 -4.396 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.774 3.546 -6.614 1.00 0.00 C ATOM 0 H ALA B 43 -9.931 5.975 -6.235 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.777 3.759 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.553 2.479 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.852 3.691 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.286 3.997 -7.478 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.963 4.719 -5.894 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.512 4.610 -5.824 1.00 0.00 C ATOM 1787 C ARG B 44 -5.003 4.964 -4.426 1.00 0.00 C ATOM 1788 O ARG B 44 -3.924 4.532 -4.025 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.869 5.514 -6.878 1.00 0.00 C ATOM 1790 CG ARG B 44 -3.351 5.437 -6.922 1.00 0.00 C ATOM 1791 CD ARG B 44 -2.848 5.066 -8.306 1.00 0.00 C ATOM 1792 NE ARG B 44 -3.077 3.658 -8.620 1.00 0.00 N ATOM 1793 CZ ARG B 44 -3.456 3.205 -9.813 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -3.719 4.048 -10.805 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -3.579 1.902 -10.011 1.00 0.00 N ATOM 0 H ARG B 44 -7.296 5.434 -6.541 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.232 3.577 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.264 5.248 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -5.164 6.545 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -2.929 6.398 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -3.003 4.700 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -3.346 5.688 -9.050 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -1.782 5.282 -8.373 1.00 0.00 H new ATOM 0 HE ARG B 44 -2.937 2.976 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -3.631 5.053 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -4.009 3.690 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -3.384 1.250 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -3.869 1.550 -10.923 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.787 5.739 -3.683 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.446 6.071 -2.303 1.00 0.00 C ATOM 1811 C ILE B 45 -5.421 4.804 -1.451 1.00 0.00 C ATOM 1812 O ILE B 45 -4.444 4.532 -0.753 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.442 7.087 -1.698 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.384 8.409 -2.470 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.155 7.315 -0.220 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.385 9.440 -1.990 1.00 0.00 C ATOM 0 H ILE B 45 -6.661 6.148 -4.012 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.457 6.530 -2.307 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.448 6.676 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.380 8.824 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.560 8.210 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.869 8.034 0.183 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.247 6.372 0.318 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.143 7.703 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.284 10.349 -2.583 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.395 9.045 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.197 9.669 -0.941 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.490 4.019 -1.537 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.570 2.754 -0.815 1.00 0.00 C ATOM 1830 C ALA B 46 -5.504 1.788 -1.316 1.00 0.00 C ATOM 1831 O ALA B 46 -4.950 1.001 -0.551 1.00 0.00 O ATOM 1832 CB ALA B 46 -7.955 2.143 -0.966 1.00 0.00 C ATOM 0 H ALA B 46 -7.313 4.236 -2.099 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.391 2.947 0.243 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.998 1.200 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.701 2.828 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.160 1.962 -2.021 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.216 1.864 -2.610 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.197 1.023 -3.224 1.00 0.00 C ATOM 1840 C GLU B 47 -2.813 1.383 -2.687 1.00 0.00 C ATOM 1841 O GLU B 47 -1.977 0.510 -2.450 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.237 1.179 -4.743 1.00 0.00 C ATOM 1843 CG GLU B 47 -3.267 0.274 -5.479 1.00 0.00 C ATOM 1844 CD GLU B 47 -3.385 0.415 -6.978 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -4.299 -0.202 -7.564 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -2.572 1.146 -7.576 1.00 0.00 O ATOM 0 H GLU B 47 -5.677 2.504 -3.257 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.402 -0.017 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.248 0.973 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -4.017 2.216 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -2.248 0.510 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.453 -0.762 -5.197 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.586 2.673 -2.485 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.333 3.152 -1.924 1.00 0.00 C ATOM 1855 C ALA B 48 -1.150 2.630 -0.504 1.00 0.00 C ATOM 1856 O ALA B 48 -0.054 2.210 -0.125 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.285 4.673 -1.952 1.00 0.00 C ATOM 0 H ALA B 48 -3.258 3.409 -2.703 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.512 2.774 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.341 5.015 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.368 5.021 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.112 5.074 -1.366 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.236 2.627 0.266 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.202 2.119 1.633 1.00 0.00 C ATOM 1865 C GLU B 49 -1.880 0.626 1.645 1.00 0.00 C ATOM 1866 O GLU B 49 -1.261 0.125 2.584 1.00 0.00 O ATOM 1867 CB GLU B 49 -3.531 2.388 2.349 1.00 0.00 C ATOM 1868 CG GLU B 49 -3.875 3.866 2.446 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.044 4.150 3.368 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.207 4.067 2.919 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -4.807 4.478 4.551 1.00 0.00 O ATOM 0 H GLU B 49 -3.148 2.970 -0.034 1.00 0.00 H new ATOM 0 HA GLU B 49 -1.413 2.646 2.170 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.331 1.870 1.821 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.486 1.966 3.353 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.001 4.413 2.800 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.106 4.244 1.450 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.293 -0.078 0.591 1.00 0.00 N ATOM 1879 CA LYS B 50 -1.962 -1.494 0.436 1.00 0.00 C ATOM 1880 C LYS B 50 -0.453 -1.672 0.312 1.00 0.00 C ATOM 1881 O LYS B 50 0.137 -2.547 0.944 1.00 0.00 O ATOM 1882 CB LYS B 50 -2.627 -2.082 -0.812 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.142 -1.987 -0.830 1.00 0.00 C ATOM 1884 CD LYS B 50 -4.700 -2.520 -2.141 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.210 -2.373 -2.215 1.00 0.00 C ATOM 1886 NZ LYS B 50 -6.754 -2.925 -3.485 1.00 0.00 N ATOM 0 H LYS B 50 -2.856 0.308 -0.167 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.330 -2.016 1.319 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -2.234 -1.571 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -2.342 -3.130 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -4.557 -2.553 0.004 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -4.448 -0.950 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -4.242 -1.987 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -4.432 -3.571 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -6.668 -2.886 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.478 -1.320 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -7.787 -2.807 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.336 -2.418 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.520 -3.936 -3.553 1.00 0.00 H new ATOM 1900 N ALA B 51 0.160 -0.823 -0.510 1.00 0.00 N ATOM 1901 CA ALA B 51 1.588 -0.912 -0.792 1.00 0.00 C ATOM 1902 C ALA B 51 2.428 -0.445 0.393 1.00 0.00 C ATOM 1903 O ALA B 51 3.609 -0.785 0.500 1.00 0.00 O ATOM 1904 CB ALA B 51 1.929 -0.100 -2.032 1.00 0.00 C ATOM 0 H ALA B 51 -0.315 -0.061 -0.994 1.00 0.00 H new ATOM 0 HA ALA B 51 1.826 -1.960 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.998 -0.174 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.372 -0.487 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.662 0.944 -1.868 1.00 0.00 H new ATOM 1910 N GLY B 52 1.822 0.339 1.274 1.00 0.00 N ATOM 1911 CA GLY B 52 2.524 0.811 2.450 1.00 0.00 C ATOM 1912 C GLY B 52 2.711 2.313 2.450 1.00 0.00 C ATOM 1913 O GLY B 52 3.442 2.856 3.277 1.00 0.00 O ATOM 0 H GLY B 52 0.856 0.657 1.195 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.971 0.517 3.342 1.00 0.00 H new ATOM 0 HA3 GLY B 52 3.499 0.327 2.506 1.00 0.00 H new ATOM 1917 N VAL B 53 2.050 2.988 1.522 1.00 0.00 N ATOM 1918 CA VAL B 53 2.123 4.436 1.439 1.00 0.00 C ATOM 1919 C VAL B 53 1.122 5.057 2.402 1.00 0.00 C ATOM 1920 O VAL B 53 -0.088 4.935 2.217 1.00 0.00 O ATOM 1921 CB VAL B 53 1.838 4.936 0.007 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.995 6.447 -0.083 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.745 4.239 -0.995 1.00 0.00 C ATOM 0 H VAL B 53 1.456 2.554 0.815 1.00 0.00 H new ATOM 0 HA VAL B 53 3.135 4.736 1.709 1.00 0.00 H new ATOM 0 HB VAL B 53 0.805 4.690 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.789 6.774 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.295 6.927 0.601 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.014 6.724 0.188 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.528 4.605 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.786 4.448 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.571 3.164 -0.956 1.00 0.00 H new ATOM 1933 N LYS B 54 1.628 5.698 3.443 1.00 0.00 N ATOM 1934 CA LYS B 54 0.768 6.302 4.450 1.00 0.00 C ATOM 1935 C LYS B 54 0.825 7.821 4.387 1.00 0.00 C ATOM 1936 O LYS B 54 0.126 8.509 5.133 1.00 0.00 O ATOM 1937 CB LYS B 54 1.155 5.816 5.849 1.00 0.00 C ATOM 1938 CG LYS B 54 0.820 4.355 6.100 1.00 0.00 C ATOM 1939 CD LYS B 54 1.202 3.931 7.508 1.00 0.00 C ATOM 1940 CE LYS B 54 0.716 2.524 7.819 1.00 0.00 C ATOM 1941 NZ LYS B 54 -0.767 2.425 7.760 1.00 0.00 N ATOM 0 H LYS B 54 2.627 5.814 3.613 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.256 5.993 4.240 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.225 5.965 5.993 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.645 6.430 6.592 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -0.247 4.194 5.947 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.344 3.731 5.376 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.285 3.976 7.621 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.777 4.631 8.228 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.155 1.823 7.110 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.060 2.232 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -1.078 1.568 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -1.189 3.262 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -1.072 2.376 6.767 1.00 0.00 H new ATOM 1955 N SER B 55 1.662 8.350 3.511 1.00 0.00 N ATOM 1956 CA SER B 55 1.767 9.791 3.356 1.00 0.00 C ATOM 1957 C SER B 55 2.013 10.178 1.899 1.00 0.00 C ATOM 1958 O SER B 55 2.612 9.420 1.137 1.00 0.00 O ATOM 1959 CB SER B 55 2.893 10.328 4.245 1.00 0.00 C ATOM 1960 OG SER B 55 2.668 9.999 5.606 1.00 0.00 O ATOM 0 H SER B 55 2.274 7.809 2.901 1.00 0.00 H new ATOM 0 HA SER B 55 0.821 10.236 3.663 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.847 9.913 3.920 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.963 11.410 4.136 1.00 0.00 H new ATOM 0 HG SER B 55 3.401 10.351 6.153 1.00 0.00 H new ATOM 1966 N VAL B 56 1.520 11.351 1.519 1.00 0.00 N ATOM 1967 CA VAL B 56 1.832 11.932 0.226 1.00 0.00 C ATOM 1968 C VAL B 56 3.154 12.706 0.335 1.00 0.00 C ATOM 1969 O VAL B 56 3.738 12.735 1.424 1.00 0.00 O ATOM 1970 CB VAL B 56 0.680 12.804 -0.318 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.469 11.927 -0.783 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.194 13.787 0.724 1.00 0.00 C ATOM 0 H VAL B 56 0.899 11.919 2.095 1.00 0.00 H new ATOM 0 HA VAL B 56 1.952 11.131 -0.504 1.00 0.00 H new ATOM 0 HB VAL B 56 1.063 13.372 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.275 12.555 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -0.122 11.262 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.836 11.334 0.055 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.617 14.386 0.309 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.166 13.243 1.597 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.015 14.442 1.017 1.00 0.00 H new ATOM 1982 N PRO B 57 3.533 13.525 -0.674 1.00 0.00 N ATOM 1983 CA PRO B 57 4.876 13.562 -1.206 1.00 0.00 C ATOM 1984 C PRO B 57 5.770 12.407 -0.756 1.00 0.00 C ATOM 1985 O PRO B 57 6.518 12.495 0.216 1.00 0.00 O ATOM 1986 CB PRO B 57 5.297 14.941 -0.733 1.00 0.00 C ATOM 1987 CG PRO B 57 4.025 15.751 -0.901 1.00 0.00 C ATOM 1988 CD PRO B 57 2.886 14.747 -1.101 1.00 0.00 C ATOM 0 HA PRO B 57 4.950 13.421 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.636 14.928 0.303 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.115 15.342 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.843 16.372 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO B 57 4.104 16.422 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.012 14.986 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.553 14.699 -2.138 1.00 0.00 H new ATOM 1996 N ALA B 58 5.656 11.310 -1.502 1.00 0.00 N ATOM 1997 CA ALA B 58 6.420 10.098 -1.257 1.00 0.00 C ATOM 1998 C ALA B 58 6.712 9.396 -2.578 1.00 0.00 C ATOM 1999 O ALA B 58 5.999 9.601 -3.561 1.00 0.00 O ATOM 2000 CB ALA B 58 5.652 9.170 -0.332 1.00 0.00 C ATOM 0 H ALA B 58 5.024 11.241 -2.300 1.00 0.00 H new ATOM 0 HA ALA B 58 7.362 10.365 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.236 8.266 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.468 9.673 0.617 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.700 8.904 -0.792 1.00 0.00 H new ATOM 2006 N LEU B 59 7.748 8.571 -2.604 1.00 0.00 N ATOM 2007 CA LEU B 59 8.134 7.879 -3.823 1.00 0.00 C ATOM 2008 C LEU B 59 8.406 6.401 -3.540 1.00 0.00 C ATOM 2009 O LEU B 59 9.139 6.057 -2.616 1.00 0.00 O ATOM 2010 CB LEU B 59 9.361 8.566 -4.440 1.00 0.00 C ATOM 2011 CG LEU B 59 9.857 7.997 -5.773 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.447 9.103 -6.634 1.00 0.00 C ATOM 2013 CD2 LEU B 59 10.903 6.919 -5.535 1.00 0.00 C ATOM 0 H LEU B 59 8.335 8.365 -1.796 1.00 0.00 H new ATOM 0 HA LEU B 59 7.314 7.929 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 59 9.127 9.621 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.179 8.516 -3.721 1.00 0.00 H new ATOM 0 HG LEU B 59 9.007 7.556 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU B 59 10.795 8.683 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.684 9.856 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU B 59 11.285 9.563 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU B 59 11.244 6.526 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU B 59 11.749 7.345 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU B 59 10.467 6.112 -4.946 1.00 0.00 H new ATOM 2025 N VAL B 60 7.793 5.537 -4.331 1.00 0.00 N ATOM 2026 CA VAL B 60 7.946 4.098 -4.175 1.00 0.00 C ATOM 2027 C VAL B 60 8.926 3.543 -5.204 1.00 0.00 C ATOM 2028 O VAL B 60 8.655 3.563 -6.403 1.00 0.00 O ATOM 2029 CB VAL B 60 6.588 3.376 -4.327 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.745 1.871 -4.166 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.579 3.920 -3.328 1.00 0.00 C ATOM 0 H VAL B 60 7.177 5.810 -5.097 1.00 0.00 H new ATOM 0 HA VAL B 60 8.335 3.918 -3.173 1.00 0.00 H new ATOM 0 HB VAL B 60 6.216 3.568 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.773 1.390 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.427 1.493 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL B 60 7.147 1.651 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.629 3.400 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.950 3.765 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.434 4.986 -3.502 1.00 0.00 H new ATOM 2041 N ILE B 61 10.066 3.052 -4.734 1.00 0.00 N ATOM 2042 CA ILE B 61 11.062 2.465 -5.620 1.00 0.00 C ATOM 2043 C ILE B 61 10.818 0.969 -5.764 1.00 0.00 C ATOM 2044 O ILE B 61 10.971 0.220 -4.797 1.00 0.00 O ATOM 2045 CB ILE B 61 12.504 2.684 -5.100 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.795 4.177 -4.938 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.512 2.046 -6.050 1.00 0.00 C ATOM 2048 CD1 ILE B 61 14.180 4.473 -4.399 1.00 0.00 C ATOM 0 H ILE B 61 10.323 3.049 -3.747 1.00 0.00 H new ATOM 0 HA ILE B 61 10.963 2.963 -6.585 1.00 0.00 H new ATOM 0 HB ILE B 61 12.596 2.208 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.678 4.668 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE B 61 12.053 4.612 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.521 2.208 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.318 0.976 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.418 2.498 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.314 5.551 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.295 4.012 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.929 4.069 -5.080 1.00 0.00 H new ATOM 2060 N ASP B 62 10.414 0.556 -6.969 1.00 0.00 N ATOM 2061 CA ASP B 62 10.165 -0.855 -7.295 1.00 0.00 C ATOM 2062 C ASP B 62 8.920 -1.369 -6.577 1.00 0.00 C ATOM 2063 O ASP B 62 7.889 -1.635 -7.196 1.00 0.00 O ATOM 2064 CB ASP B 62 11.387 -1.716 -6.944 1.00 0.00 C ATOM 2065 CG ASP B 62 11.164 -3.197 -7.184 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.676 -3.885 -6.265 1.00 0.00 O ATOM 2067 OD2 ASP B 62 11.504 -3.684 -8.282 1.00 0.00 O ATOM 0 H ASP B 62 10.249 1.191 -7.750 1.00 0.00 H new ATOM 0 HA ASP B 62 9.991 -0.928 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.240 -1.383 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.645 -1.559 -5.897 1.00 0.00 H new ATOM 2072 N GLY B 63 9.034 -1.488 -5.272 1.00 0.00 N ATOM 2073 CA GLY B 63 7.936 -1.941 -4.445 1.00 0.00 C ATOM 2074 C GLY B 63 8.108 -1.524 -2.997 1.00 0.00 C ATOM 2075 O GLY B 63 7.444 -2.058 -2.107 1.00 0.00 O ATOM 0 H GLY B 63 9.887 -1.274 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY B 63 7.000 -1.536 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.862 -3.027 -4.504 1.00 0.00 H new ATOM 2079 N ALA B 64 9.001 -0.569 -2.760 1.00 0.00 N ATOM 2080 CA ALA B 64 9.268 -0.084 -1.412 1.00 0.00 C ATOM 2081 C ALA B 64 8.943 1.400 -1.312 1.00 0.00 C ATOM 2082 O ALA B 64 9.442 2.207 -2.096 1.00 0.00 O ATOM 2083 CB ALA B 64 10.718 -0.341 -1.035 1.00 0.00 C ATOM 0 H ALA B 64 9.554 -0.115 -3.487 1.00 0.00 H new ATOM 0 HA ALA B 64 8.631 -0.625 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.902 0.027 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.920 -1.411 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.373 0.177 -1.735 1.00 0.00 H new ATOM 2089 N ALA B 65 8.101 1.751 -0.351 1.00 0.00 N ATOM 2090 CA ALA B 65 7.642 3.125 -0.199 1.00 0.00 C ATOM 2091 C ALA B 65 8.644 3.968 0.581 1.00 0.00 C ATOM 2092 O ALA B 65 8.973 3.663 1.730 1.00 0.00 O ATOM 2093 CB ALA B 65 6.283 3.153 0.484 1.00 0.00 C ATOM 0 H ALA B 65 7.721 1.102 0.337 1.00 0.00 H new ATOM 0 HA ALA B 65 7.550 3.558 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.951 4.186 0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.562 2.601 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.361 2.692 1.469 1.00 0.00 H new ATOM 2099 N PHE B 66 9.135 5.019 -0.053 1.00 0.00 N ATOM 2100 CA PHE B 66 10.036 5.955 0.597 1.00 0.00 C ATOM 2101 C PHE B 66 9.424 7.351 0.601 1.00 0.00 C ATOM 2102 O PHE B 66 9.392 8.031 -0.424 1.00 0.00 O ATOM 2103 CB PHE B 66 11.398 5.974 -0.104 1.00 0.00 C ATOM 2104 CG PHE B 66 12.125 4.660 -0.042 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.674 4.215 1.149 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.260 3.873 -1.174 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.343 3.009 1.212 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.930 2.665 -1.117 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.471 2.233 0.078 1.00 0.00 C ATOM 0 H PHE B 66 8.923 5.246 -1.024 1.00 0.00 H new ATOM 0 HA PHE B 66 10.187 5.631 1.627 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.256 6.252 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.020 6.746 0.350 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.578 4.819 2.039 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.838 4.206 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.766 2.673 2.147 1.00 0.00 H new ATOM 0 HE2 PHE B 66 13.030 2.060 -2.006 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.994 1.289 0.125 1.00 0.00 H new ATOM 2119 N HIS B 67 8.910 7.754 1.750 1.00 0.00 N ATOM 2120 CA HIS B 67 8.298 9.066 1.898 1.00 0.00 C ATOM 2121 C HIS B 67 9.373 10.145 1.865 1.00 0.00 C ATOM 2122 O HIS B 67 10.335 10.094 2.634 1.00 0.00 O ATOM 2123 CB HIS B 67 7.500 9.140 3.206 1.00 0.00 C ATOM 2124 CG HIS B 67 6.390 8.128 3.300 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.534 6.876 3.856 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.096 8.210 2.901 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.350 6.251 3.782 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.441 7.018 3.209 1.00 0.00 N ATOM 0 H HIS B 67 8.904 7.189 2.599 1.00 0.00 H new ATOM 0 HA HIS B 67 7.609 9.231 1.069 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.181 8.997 4.045 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.077 10.140 3.306 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.391 6.492 4.254 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.644 9.065 2.420 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.164 5.251 4.144 1.00 0.00 H new ATOM 2136 N ILE B 68 9.214 11.112 0.971 1.00 0.00 N ATOM 2137 CA ILE B 68 10.218 12.146 0.778 1.00 0.00 C ATOM 2138 C ILE B 68 9.860 13.376 1.595 1.00 0.00 C ATOM 2139 O ILE B 68 8.922 14.103 1.257 1.00 0.00 O ATOM 2140 CB ILE B 68 10.357 12.536 -0.710 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.680 11.301 -1.555 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.436 13.599 -0.883 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.777 11.587 -3.038 1.00 0.00 C ATOM 0 H ILE B 68 8.397 11.201 0.367 1.00 0.00 H new ATOM 0 HA ILE B 68 11.174 11.745 1.113 1.00 0.00 H new ATOM 0 HB ILE B 68 9.408 12.950 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.623 10.875 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE B 68 9.911 10.547 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.521 13.863 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.169 14.485 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.390 13.210 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE B 68 11.008 10.665 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.827 11.985 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.566 12.318 -3.217 1.00 0.00 H new ATOM 2155 N ASN B 69 10.613 13.595 2.669 1.00 0.00 N ATOM 2156 CA ASN B 69 10.312 14.651 3.627 1.00 0.00 C ATOM 2157 C ASN B 69 8.965 14.369 4.276 1.00 0.00 C ATOM 2158 O ASN B 69 8.490 13.232 4.266 1.00 0.00 O ATOM 2159 CB ASN B 69 10.310 16.031 2.948 1.00 0.00 C ATOM 2160 CG ASN B 69 11.699 16.499 2.560 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.683 16.175 3.219 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.787 17.270 1.487 1.00 0.00 N ATOM 0 H ASN B 69 11.443 13.049 2.898 1.00 0.00 H new ATOM 0 HA ASN B 69 11.087 14.666 4.393 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.683 15.991 2.057 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.861 16.761 3.621 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.696 17.617 1.181 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.946 17.517 0.966 1.00 0.00 H new ATOM 2169 N PHE B 70 8.362 15.381 4.866 1.00 0.00 N ATOM 2170 CA PHE B 70 7.025 15.239 5.394 1.00 0.00 C ATOM 2171 C PHE B 70 6.052 16.028 4.531 1.00 0.00 C ATOM 2172 O PHE B 70 5.906 17.238 4.702 1.00 0.00 O ATOM 2173 CB PHE B 70 6.965 15.715 6.850 1.00 0.00 C ATOM 2174 CG PHE B 70 5.639 15.471 7.517 1.00 0.00 C ATOM 2175 CD1 PHE B 70 5.288 14.201 7.946 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.745 16.512 7.715 1.00 0.00 C ATOM 2177 CE1 PHE B 70 4.073 13.974 8.564 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.529 16.292 8.331 1.00 0.00 C ATOM 2179 CZ PHE B 70 3.191 15.020 8.752 1.00 0.00 C ATOM 0 H PHE B 70 8.776 16.305 4.990 1.00 0.00 H new ATOM 0 HA PHE B 70 6.745 14.186 5.375 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.745 15.210 7.419 1.00 0.00 H new ATOM 0 HB3 PHE B 70 7.186 16.782 6.883 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.972 13.379 7.796 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.003 17.507 7.383 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.814 12.981 8.899 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.843 17.112 8.483 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.238 14.844 9.228 1.00 0.00 H new ATOM 2189 N GLY B 71 5.439 15.355 3.563 1.00 0.00 N ATOM 2190 CA GLY B 71 4.428 15.995 2.765 1.00 0.00 C ATOM 2191 C GLY B 71 3.131 16.083 3.524 1.00 0.00 C ATOM 2192 O GLY B 71 2.926 17.001 4.322 1.00 0.00 O ATOM 0 H GLY B 71 5.628 14.382 3.323 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.759 16.994 2.482 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.278 15.436 1.841 1.00 0.00 H new ATOM 2196 N ALA B 72 2.242 15.144 3.281 1.00 0.00 N ATOM 2197 CA ALA B 72 0.999 15.092 4.044 1.00 0.00 C ATOM 2198 C ALA B 72 0.648 13.659 4.373 1.00 0.00 C ATOM 2199 O ALA B 72 1.189 12.747 3.770 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.139 15.783 3.304 1.00 0.00 C ATOM 0 H ALA B 72 2.347 14.415 2.575 1.00 0.00 H new ATOM 0 HA ALA B 72 1.150 15.634 4.978 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.049 15.725 3.901 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.119 16.829 3.135 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.302 15.290 2.345 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.254 13.452 5.312 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.729 12.113 5.568 1.00 0.00 C ATOM 2208 C GLY B 73 -1.685 11.677 4.482 1.00 0.00 C ATOM 2209 O GLY B 73 -2.348 12.514 3.870 1.00 0.00 O ATOM 0 H GLY B 73 -0.664 14.179 5.898 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.114 11.424 5.617 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.227 12.076 6.537 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.767 10.384 4.222 1.00 0.00 N ATOM 2214 CA ILE B 74 -2.660 9.895 3.184 1.00 0.00 C ATOM 2215 C ILE B 74 -4.114 10.059 3.628 1.00 0.00 C ATOM 2216 O ILE B 74 -5.035 10.087 2.812 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.362 8.422 2.816 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.034 8.064 1.489 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.820 7.479 3.925 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -2.587 6.736 0.922 1.00 0.00 C ATOM 0 H ILE B 74 -1.235 9.662 4.707 1.00 0.00 H new ATOM 0 HA ILE B 74 -2.491 10.490 2.287 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.284 8.306 2.704 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.114 8.043 1.633 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -2.824 8.849 0.762 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.599 6.450 3.642 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -2.295 7.722 4.849 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.893 7.591 4.078 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.105 6.549 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.512 6.759 0.746 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.822 5.941 1.630 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.303 10.208 4.934 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.625 10.440 5.495 1.00 0.00 C ATOM 2234 C ASP B 75 -6.022 11.905 5.349 1.00 0.00 C ATOM 2235 O ASP B 75 -7.192 12.255 5.495 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.674 10.016 6.965 1.00 0.00 C ATOM 2237 CG ASP B 75 -5.582 8.510 7.136 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -6.633 7.836 7.081 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -4.462 7.992 7.317 1.00 0.00 O ATOM 0 H ASP B 75 -3.553 10.172 5.625 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.340 9.832 4.940 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.855 10.491 7.505 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -6.601 10.374 7.413 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.046 12.759 5.039 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.317 14.174 4.781 1.00 0.00 C ATOM 2246 C ASP B 76 -6.191 14.323 3.546 1.00 0.00 C ATOM 2247 O ASP B 76 -7.032 15.218 3.468 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.020 14.970 4.581 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.405 15.454 5.879 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -3.846 16.504 6.392 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -2.465 14.806 6.382 1.00 0.00 O ATOM 0 H ASP B 76 -4.063 12.497 4.961 1.00 0.00 H new ATOM 0 HA ASP B 76 -5.835 14.573 5.653 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.297 14.346 4.055 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.224 15.829 3.942 1.00 0.00 H new ATOM 2256 N LEU B 77 -5.988 13.427 2.587 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.758 13.425 1.349 1.00 0.00 C ATOM 2258 C LEU B 77 -8.194 12.988 1.618 1.00 0.00 C ATOM 2259 O LEU B 77 -9.122 13.376 0.909 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.117 12.476 0.334 1.00 0.00 C ATOM 2261 CG LEU B 77 -4.648 12.758 0.011 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -4.096 11.679 -0.904 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -4.491 14.130 -0.628 1.00 0.00 C ATOM 0 H LEU B 77 -5.290 12.686 2.645 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.764 14.437 0.944 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.200 11.457 0.712 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.690 12.520 -0.592 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.082 12.750 0.942 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.050 11.891 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.173 10.710 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.668 11.661 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -3.439 14.310 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.068 14.169 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -4.853 14.895 0.059 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.362 12.186 2.659 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.665 11.639 3.009 1.00 0.00 C ATOM 2277 C LYS B 78 -10.521 12.695 3.696 1.00 0.00 C ATOM 2278 O LYS B 78 -11.752 12.662 3.623 1.00 0.00 O ATOM 2279 CB LYS B 78 -9.495 10.429 3.928 1.00 0.00 C ATOM 2280 CG LYS B 78 -8.551 9.370 3.382 1.00 0.00 C ATOM 2281 CD LYS B 78 -8.339 8.252 4.388 1.00 0.00 C ATOM 2282 CE LYS B 78 -7.302 7.248 3.909 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.075 6.172 4.911 1.00 0.00 N ATOM 0 H LYS B 78 -7.606 11.898 3.280 1.00 0.00 H new ATOM 0 HA LYS B 78 -10.166 11.326 2.093 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -9.124 10.769 4.895 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -10.471 9.977 4.102 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -8.957 8.959 2.458 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -7.593 9.826 3.134 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.021 8.676 5.340 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -9.285 7.740 4.567 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -7.631 6.806 2.968 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -6.362 7.763 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -6.106 5.806 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.206 6.556 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -7.754 5.400 4.752 1.00 0.00 H new