USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1339 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.825 X(o=-0.83,f=-0.77) USER MOD Single : A 15 MET CE :methyl 165:sc= -0.144 (180deg=-0.922) USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 0.244 (180deg=0.00987) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 128:sc= -0.114 (180deg=-1.04) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 0.016 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 70:sc= 0.767 USER MOD Single : A 67 CYS SG : rot -61:sc= 0.142 USER MOD Single : A 70 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.92! C(o=-3.9!,f=-6.4!) USER MOD Single : A 74 SER OG : rot -38:sc= 0.377 USER MOD Single : A 77 CYS SG : rot -26:sc= -2.21! USER MOD Single : A 80 CYS SG : rot -130:sc= -0.751 USER MOD Single : A 85 CYS SG : rot 83:sc= -1.14 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.2!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.928 X(o=-0.93,f=-0.76) USER MOD Single : B 15 MET CE :methyl 164:sc= -0.158 (180deg=-0.957) USER MOD Single : B 18 LYS NZ :NH3+ -140:sc= 0.236 (180deg=0.013) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 148:sc= -0.139 (180deg=-1) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : B 53 LYS NZ :NH3+ -147:sc= 0.0202 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 97:sc= 0.676 USER MOD Single : B 67 CYS SG : rot -44:sc= 0.198 USER MOD Single : B 70 ASN : amide:sc= -0.249 K(o=-0.25,f=-3.2!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -3.9! C(o=-3.9!,f=-6.1!) USER MOD Single : B 74 SER OG : rot -46:sc= 0.392 USER MOD Single : B 77 CYS SG : rot -31:sc= -2.41! USER MOD Single : B 80 CYS SG : rot -130:sc= -0.629 USER MOD Single : B 85 CYS SG : rot 180:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.641 -10.862 4.627 1.00 0.50 N ATOM 49 CA SER A 4 121.559 -12.048 3.729 1.00 0.49 C ATOM 50 C SER A 4 122.843 -12.878 3.846 1.00 0.48 C ATOM 51 O SER A 4 123.848 -12.427 4.361 1.00 0.46 O ATOM 52 CB SER A 4 121.376 -11.575 2.284 1.00 0.51 C ATOM 53 OG SER A 4 120.819 -12.631 1.512 1.00 1.35 O ATOM 0 HA SER A 4 120.710 -12.667 4.020 1.00 0.49 H new ATOM 0 HB2 SER A 4 120.722 -10.703 2.254 1.00 0.51 H new ATOM 0 HB3 SER A 4 122.335 -11.269 1.865 1.00 0.51 H new ATOM 0 HG SER A 4 120.699 -12.332 0.587 1.00 1.35 H new ATOM 59 N GLN A 5 122.802 -14.096 3.371 1.00 0.55 N ATOM 60 CA GLN A 5 123.998 -14.990 3.440 1.00 0.58 C ATOM 61 C GLN A 5 125.216 -14.268 2.858 1.00 0.53 C ATOM 62 O GLN A 5 126.346 -14.632 3.115 1.00 0.53 O ATOM 63 CB GLN A 5 123.720 -16.261 2.605 1.00 0.67 C ATOM 64 CG GLN A 5 123.215 -17.402 3.492 1.00 1.44 C ATOM 65 CD GLN A 5 122.807 -18.575 2.598 1.00 1.82 C ATOM 66 OE1 GLN A 5 122.299 -18.376 1.513 1.00 2.15 O ATOM 67 NE2 GLN A 5 123.016 -19.797 3.004 1.00 2.38 N ATOM 0 H GLN A 5 121.981 -14.515 2.933 1.00 0.55 H new ATOM 0 HA GLN A 5 124.196 -15.256 4.478 1.00 0.58 H new ATOM 0 HB2 GLN A 5 122.981 -16.040 1.835 1.00 0.67 H new ATOM 0 HB3 GLN A 5 124.631 -16.570 2.093 1.00 0.67 H new ATOM 0 HG2 GLN A 5 123.994 -17.711 4.189 1.00 1.44 H new ATOM 0 HG3 GLN A 5 122.366 -17.069 4.089 1.00 1.44 H new ATOM 0 HE21 GLN A 5 123.443 -19.966 3.915 1.00 2.38 H new ATOM 0 HE22 GLN A 5 122.753 -20.584 2.410 1.00 2.38 H new ATOM 76 N LYS A 6 124.994 -13.270 2.057 1.00 0.50 N ATOM 77 CA LYS A 6 126.131 -12.548 1.434 1.00 0.48 C ATOM 78 C LYS A 6 127.002 -11.914 2.517 1.00 0.42 C ATOM 79 O LYS A 6 128.210 -11.876 2.404 1.00 0.42 O ATOM 80 CB LYS A 6 125.576 -11.484 0.494 1.00 0.48 C ATOM 81 CG LYS A 6 124.858 -12.201 -0.649 1.00 0.57 C ATOM 82 CD LYS A 6 124.277 -11.187 -1.629 1.00 0.97 C ATOM 83 CE LYS A 6 123.568 -11.940 -2.756 1.00 1.34 C ATOM 84 NZ LYS A 6 123.231 -10.994 -3.854 1.00 2.07 N ATOM 0 H LYS A 6 124.069 -12.921 1.805 1.00 0.50 H new ATOM 0 HA LYS A 6 126.751 -13.242 0.867 1.00 0.48 H new ATOM 0 HB2 LYS A 6 124.888 -10.826 1.025 1.00 0.48 H new ATOM 0 HB3 LYS A 6 126.380 -10.858 0.107 1.00 0.48 H new ATOM 0 HG2 LYS A 6 125.554 -12.860 -1.168 1.00 0.57 H new ATOM 0 HG3 LYS A 6 124.061 -12.829 -0.250 1.00 0.57 H new ATOM 0 HD2 LYS A 6 123.577 -10.527 -1.118 1.00 0.97 H new ATOM 0 HD3 LYS A 6 125.069 -10.558 -2.035 1.00 0.97 H new ATOM 0 HE2 LYS A 6 124.208 -12.737 -3.133 1.00 1.34 H new ATOM 0 HE3 LYS A 6 122.661 -12.412 -2.378 1.00 1.34 H new ATOM 0 HZ1 LYS A 6 122.749 -11.508 -4.619 1.00 2.07 H new ATOM 0 HZ2 LYS A 6 122.604 -10.248 -3.490 1.00 2.07 H new ATOM 0 HZ3 LYS A 6 124.104 -10.564 -4.222 1.00 2.07 H new ATOM 98 N HIS A 7 126.411 -11.418 3.563 1.00 0.40 N ATOM 99 CA HIS A 7 127.227 -10.791 4.637 1.00 0.37 C ATOM 100 C HIS A 7 128.206 -11.816 5.219 1.00 0.38 C ATOM 101 O HIS A 7 129.388 -11.559 5.327 1.00 0.36 O ATOM 102 CB HIS A 7 126.290 -10.262 5.726 1.00 0.38 C ATOM 103 CG HIS A 7 127.070 -9.850 6.948 1.00 0.36 C ATOM 104 ND1 HIS A 7 127.413 -8.529 7.200 1.00 0.33 N ATOM 105 CD2 HIS A 7 127.556 -10.573 8.010 1.00 0.44 C ATOM 106 CE1 HIS A 7 128.072 -8.498 8.375 1.00 0.35 C ATOM 107 NE2 HIS A 7 128.185 -9.716 8.905 1.00 0.43 N ATOM 0 H HIS A 7 125.403 -11.419 3.722 1.00 0.40 H new ATOM 0 HA HIS A 7 127.806 -9.964 4.227 1.00 0.37 H new ATOM 0 HB2 HIS A 7 125.726 -9.411 5.345 1.00 0.38 H new ATOM 0 HB3 HIS A 7 125.565 -11.031 5.994 1.00 0.38 H new ATOM 0 HD2 HIS A 7 127.464 -11.642 8.131 1.00 0.44 H new ATOM 0 HE1 HIS A 7 128.460 -7.599 8.830 1.00 0.35 H new ATOM 0 HE2 HIS A 7 128.638 -9.967 9.784 1.00 0.43 H new ATOM 115 N ARG A 8 127.731 -12.987 5.588 1.00 0.42 N ATOM 116 CA ARG A 8 128.632 -14.034 6.155 1.00 0.45 C ATOM 117 C ARG A 8 129.556 -14.580 5.067 1.00 0.46 C ATOM 118 O ARG A 8 130.703 -14.894 5.310 1.00 0.46 O ATOM 119 CB ARG A 8 127.801 -15.205 6.681 1.00 0.51 C ATOM 120 CG ARG A 8 127.021 -14.808 7.936 1.00 0.55 C ATOM 121 CD ARG A 8 126.360 -16.062 8.508 1.00 1.09 C ATOM 122 NE ARG A 8 125.235 -15.664 9.416 1.00 1.76 N ATOM 123 CZ ARG A 8 125.440 -15.206 10.613 1.00 2.38 C ATOM 124 NH1 ARG A 8 126.649 -15.166 11.104 1.00 2.66 N ATOM 125 NH2 ARG A 8 124.428 -14.816 11.337 1.00 3.30 N ATOM 0 H ARG A 8 126.750 -13.259 5.518 1.00 0.42 H new ATOM 0 HA ARG A 8 129.214 -13.581 6.958 1.00 0.45 H new ATOM 0 HB2 ARG A 8 127.108 -15.539 5.909 1.00 0.51 H new ATOM 0 HB3 ARG A 8 128.456 -16.047 6.907 1.00 0.51 H new ATOM 0 HG2 ARG A 8 127.689 -14.361 8.673 1.00 0.55 H new ATOM 0 HG3 ARG A 8 126.267 -14.059 7.693 1.00 0.55 H new ATOM 0 HD2 ARG A 8 125.984 -16.689 7.699 1.00 1.09 H new ATOM 0 HD3 ARG A 8 127.092 -16.654 9.057 1.00 1.09 H new ATOM 0 HE ARG A 8 124.276 -15.756 9.082 1.00 1.76 H new ATOM 0 HH11 ARG A 8 127.437 -15.495 10.546 1.00 2.66 H new ATOM 0 HH12 ARG A 8 126.806 -14.805 12.045 1.00 2.66 H new ATOM 0 HH21 ARG A 8 123.481 -14.872 10.962 1.00 3.30 H new ATOM 0 HH22 ARG A 8 124.583 -14.455 12.278 1.00 3.30 H new ATOM 139 N ASP A 9 129.055 -14.709 3.874 1.00 0.47 N ATOM 140 CA ASP A 9 129.896 -15.251 2.775 1.00 0.49 C ATOM 141 C ASP A 9 130.985 -14.241 2.445 1.00 0.43 C ATOM 142 O ASP A 9 132.107 -14.588 2.142 1.00 0.42 O ATOM 143 CB ASP A 9 129.040 -15.497 1.534 1.00 0.56 C ATOM 144 CG ASP A 9 128.100 -16.677 1.786 1.00 0.64 C ATOM 145 OD1 ASP A 9 128.384 -17.454 2.682 1.00 0.68 O ATOM 146 OD2 ASP A 9 127.111 -16.781 1.079 1.00 0.69 O ATOM 0 H ASP A 9 128.100 -14.463 3.612 1.00 0.47 H new ATOM 0 HA ASP A 9 130.342 -16.194 3.090 1.00 0.49 H new ATOM 0 HB2 ASP A 9 128.463 -14.604 1.295 1.00 0.56 H new ATOM 0 HB3 ASP A 9 129.678 -15.704 0.675 1.00 0.56 H new ATOM 151 N PHE A 10 130.653 -12.988 2.495 1.00 0.38 N ATOM 152 CA PHE A 10 131.650 -11.938 2.179 1.00 0.34 C ATOM 153 C PHE A 10 132.783 -11.954 3.218 1.00 0.29 C ATOM 154 O PHE A 10 133.949 -11.963 2.875 1.00 0.28 O ATOM 155 CB PHE A 10 130.929 -10.595 2.199 1.00 0.33 C ATOM 156 CG PHE A 10 131.819 -9.517 1.652 1.00 0.32 C ATOM 157 CD1 PHE A 10 131.903 -9.325 0.261 1.00 0.34 C ATOM 158 CD2 PHE A 10 132.539 -8.685 2.526 1.00 0.34 C ATOM 159 CE1 PHE A 10 132.708 -8.299 -0.255 1.00 0.35 C ATOM 160 CE2 PHE A 10 133.348 -7.660 2.007 1.00 0.35 C ATOM 161 CZ PHE A 10 133.429 -7.467 0.620 1.00 0.34 C ATOM 0 H PHE A 10 129.726 -12.643 2.743 1.00 0.38 H new ATOM 0 HA PHE A 10 132.094 -12.114 1.199 1.00 0.34 H new ATOM 0 HB2 PHE A 10 130.015 -10.656 1.608 1.00 0.33 H new ATOM 0 HB3 PHE A 10 130.633 -10.349 3.219 1.00 0.33 H new ATOM 0 HD1 PHE A 10 131.349 -9.966 -0.408 1.00 0.34 H new ATOM 0 HD2 PHE A 10 132.471 -8.833 3.594 1.00 0.34 H new ATOM 0 HE1 PHE A 10 132.774 -8.148 -1.322 1.00 0.35 H new ATOM 0 HE2 PHE A 10 133.907 -7.022 2.675 1.00 0.35 H new ATOM 0 HZ PHE A 10 134.048 -6.676 0.222 1.00 0.34 H new ATOM 171 N VAL A 11 132.451 -11.955 4.484 1.00 0.29 N ATOM 172 CA VAL A 11 133.510 -11.964 5.542 1.00 0.27 C ATOM 173 C VAL A 11 134.002 -13.394 5.804 1.00 0.32 C ATOM 174 O VAL A 11 134.753 -13.633 6.728 1.00 0.32 O ATOM 175 CB VAL A 11 132.938 -11.393 6.845 1.00 0.28 C ATOM 176 CG1 VAL A 11 132.406 -9.959 6.619 1.00 0.27 C ATOM 177 CG2 VAL A 11 131.806 -12.304 7.327 1.00 0.35 C ATOM 0 H VAL A 11 131.492 -11.950 4.832 1.00 0.29 H new ATOM 0 HA VAL A 11 134.346 -11.355 5.197 1.00 0.27 H new ATOM 0 HB VAL A 11 133.724 -11.349 7.599 1.00 0.28 H new ATOM 0 HG11 VAL A 11 132.004 -9.569 7.554 1.00 0.27 H new ATOM 0 HG12 VAL A 11 133.220 -9.318 6.279 1.00 0.27 H new ATOM 0 HG13 VAL A 11 131.619 -9.977 5.865 1.00 0.27 H new ATOM 0 HG21 VAL A 11 131.390 -11.909 8.254 1.00 0.35 H new ATOM 0 HG22 VAL A 11 131.025 -12.346 6.568 1.00 0.35 H new ATOM 0 HG23 VAL A 11 132.196 -13.307 7.503 1.00 0.35 H new ATOM 187 N ALA A 12 133.599 -14.343 4.995 1.00 0.37 N ATOM 188 CA ALA A 12 134.058 -15.760 5.191 1.00 0.43 C ATOM 189 C ALA A 12 135.119 -16.120 4.148 1.00 0.40 C ATOM 190 O ALA A 12 135.804 -17.116 4.268 1.00 0.43 O ATOM 191 CB ALA A 12 132.874 -16.711 5.041 1.00 0.47 C ATOM 0 H ALA A 12 132.970 -14.200 4.205 1.00 0.37 H new ATOM 0 HA ALA A 12 134.484 -15.853 6.190 1.00 0.43 H new ATOM 0 HB1 ALA A 12 133.211 -17.738 5.184 1.00 0.47 H new ATOM 0 HB2 ALA A 12 132.117 -16.471 5.788 1.00 0.47 H new ATOM 0 HB3 ALA A 12 132.446 -16.605 4.044 1.00 0.47 H new ATOM 197 N GLU A 13 135.268 -15.317 3.129 1.00 0.36 N ATOM 198 CA GLU A 13 136.293 -15.614 2.084 1.00 0.37 C ATOM 199 C GLU A 13 136.701 -14.300 1.402 1.00 0.36 C ATOM 200 O GLU A 13 135.915 -13.377 1.332 1.00 0.34 O ATOM 201 CB GLU A 13 135.700 -16.575 1.047 1.00 0.38 C ATOM 202 CG GLU A 13 134.331 -16.065 0.601 1.00 0.49 C ATOM 203 CD GLU A 13 133.857 -16.865 -0.614 1.00 0.70 C ATOM 204 OE1 GLU A 13 134.403 -17.931 -0.846 1.00 1.22 O ATOM 205 OE2 GLU A 13 132.955 -16.398 -1.290 1.00 1.27 O ATOM 0 H GLU A 13 134.725 -14.468 2.974 1.00 0.36 H new ATOM 0 HA GLU A 13 137.168 -16.077 2.540 1.00 0.37 H new ATOM 0 HB2 GLU A 13 136.367 -16.656 0.188 1.00 0.38 H new ATOM 0 HB3 GLU A 13 135.606 -17.574 1.473 1.00 0.38 H new ATOM 0 HG2 GLU A 13 133.613 -16.161 1.415 1.00 0.49 H new ATOM 0 HG3 GLU A 13 134.390 -15.006 0.351 1.00 0.49 H new ATOM 212 N PRO A 14 137.906 -14.205 0.889 1.00 0.38 N ATOM 213 CA PRO A 14 138.373 -12.971 0.199 1.00 0.39 C ATOM 214 C PRO A 14 137.275 -12.349 -0.677 1.00 0.39 C ATOM 215 O PRO A 14 136.318 -13.001 -1.043 1.00 0.36 O ATOM 216 CB PRO A 14 139.540 -13.470 -0.659 1.00 0.42 C ATOM 217 CG PRO A 14 140.116 -14.623 0.106 1.00 0.44 C ATOM 218 CD PRO A 14 138.958 -15.244 0.908 1.00 0.43 C ATOM 0 HA PRO A 14 138.653 -12.184 0.899 1.00 0.39 H new ATOM 0 HB2 PRO A 14 139.199 -13.782 -1.646 1.00 0.42 H new ATOM 0 HB3 PRO A 14 140.282 -12.686 -0.811 1.00 0.42 H new ATOM 0 HG2 PRO A 14 140.555 -15.356 -0.571 1.00 0.44 H new ATOM 0 HG3 PRO A 14 140.911 -14.287 0.771 1.00 0.44 H new ATOM 0 HD2 PRO A 14 138.610 -16.171 0.453 1.00 0.43 H new ATOM 0 HD3 PRO A 14 139.263 -15.484 1.927 1.00 0.43 H new ATOM 226 N MET A 15 137.404 -11.090 -1.008 1.00 0.44 N ATOM 227 CA MET A 15 136.366 -10.424 -1.853 1.00 0.46 C ATOM 228 C MET A 15 136.716 -10.597 -3.335 1.00 0.47 C ATOM 229 O MET A 15 135.858 -10.580 -4.194 1.00 0.48 O ATOM 230 CB MET A 15 136.358 -8.915 -1.560 1.00 0.55 C ATOM 231 CG MET A 15 137.808 -8.420 -1.433 1.00 0.54 C ATOM 232 SD MET A 15 137.905 -6.658 -1.851 1.00 1.09 S ATOM 233 CE MET A 15 136.730 -6.017 -0.645 1.00 0.69 C ATOM 0 H MET A 15 138.183 -10.494 -0.730 1.00 0.44 H new ATOM 0 HA MET A 15 135.397 -10.871 -1.630 1.00 0.46 H new ATOM 0 HB2 MET A 15 135.846 -8.379 -2.360 1.00 0.55 H new ATOM 0 HB3 MET A 15 135.810 -8.713 -0.640 1.00 0.55 H new ATOM 0 HG2 MET A 15 138.167 -8.581 -0.417 1.00 0.54 H new ATOM 0 HG3 MET A 15 138.456 -8.995 -2.095 1.00 0.54 H new ATOM 0 HE1 MET A 15 136.846 -4.936 -0.563 1.00 0.69 H new ATOM 0 HE2 MET A 15 135.715 -6.249 -0.967 1.00 0.69 H new ATOM 0 HE3 MET A 15 136.917 -6.477 0.325 1.00 0.69 H new ATOM 243 N GLY A 16 137.978 -10.725 -3.636 1.00 0.48 N ATOM 244 CA GLY A 16 138.396 -10.859 -5.060 1.00 0.51 C ATOM 245 C GLY A 16 137.883 -9.643 -5.842 1.00 0.53 C ATOM 246 O GLY A 16 137.917 -8.527 -5.362 1.00 0.53 O ATOM 0 H GLY A 16 138.739 -10.743 -2.957 1.00 0.48 H new ATOM 0 HA2 GLY A 16 139.482 -10.922 -5.130 1.00 0.51 H new ATOM 0 HA3 GLY A 16 137.995 -11.779 -5.486 1.00 0.51 H new ATOM 250 N GLU A 17 137.432 -9.849 -7.055 1.00 0.53 N ATOM 251 CA GLU A 17 136.936 -8.712 -7.902 1.00 0.55 C ATOM 252 C GLU A 17 135.412 -8.784 -8.026 1.00 0.50 C ATOM 253 O GLU A 17 134.844 -8.449 -9.046 1.00 0.48 O ATOM 254 CB GLU A 17 137.561 -8.825 -9.291 1.00 0.62 C ATOM 255 CG GLU A 17 139.057 -8.518 -9.202 1.00 0.70 C ATOM 256 CD GLU A 17 139.684 -8.631 -10.592 1.00 0.78 C ATOM 257 OE1 GLU A 17 139.007 -9.108 -11.488 1.00 1.05 O ATOM 258 OE2 GLU A 17 140.831 -8.242 -10.736 1.00 1.07 O ATOM 0 H GLU A 17 137.385 -10.765 -7.502 1.00 0.53 H new ATOM 0 HA GLU A 17 137.213 -7.764 -7.441 1.00 0.55 H new ATOM 0 HB2 GLU A 17 137.407 -9.828 -9.690 1.00 0.62 H new ATOM 0 HB3 GLU A 17 137.076 -8.131 -9.977 1.00 0.62 H new ATOM 0 HG2 GLU A 17 139.210 -7.515 -8.803 1.00 0.70 H new ATOM 0 HG3 GLU A 17 139.541 -9.212 -8.515 1.00 0.70 H new ATOM 265 N LYS A 18 134.752 -9.241 -7.001 1.00 0.49 N ATOM 266 CA LYS A 18 133.268 -9.363 -7.059 1.00 0.44 C ATOM 267 C LYS A 18 132.646 -7.977 -7.311 1.00 0.35 C ATOM 268 O LYS A 18 133.200 -6.967 -6.923 1.00 0.33 O ATOM 269 CB LYS A 18 132.767 -9.944 -5.735 1.00 0.46 C ATOM 270 CG LYS A 18 133.185 -11.413 -5.662 1.00 0.54 C ATOM 271 CD LYS A 18 132.642 -12.055 -4.387 1.00 1.25 C ATOM 272 CE LYS A 18 133.051 -13.529 -4.359 1.00 1.47 C ATOM 273 NZ LYS A 18 132.274 -14.245 -3.310 1.00 2.18 N ATOM 0 H LYS A 18 135.176 -9.537 -6.122 1.00 0.49 H new ATOM 0 HA LYS A 18 132.977 -10.026 -7.874 1.00 0.44 H new ATOM 0 HB2 LYS A 18 133.185 -9.389 -4.895 1.00 0.46 H new ATOM 0 HB3 LYS A 18 131.683 -9.855 -5.668 1.00 0.46 H new ATOM 0 HG2 LYS A 18 132.811 -11.948 -6.535 1.00 0.54 H new ATOM 0 HG3 LYS A 18 134.272 -11.490 -5.682 1.00 0.54 H new ATOM 0 HD2 LYS A 18 133.033 -11.539 -3.510 1.00 1.25 H new ATOM 0 HD3 LYS A 18 131.556 -11.965 -4.353 1.00 1.25 H new ATOM 0 HE2 LYS A 18 132.872 -13.985 -5.333 1.00 1.47 H new ATOM 0 HE3 LYS A 18 134.119 -13.616 -4.158 1.00 1.47 H new ATOM 0 HZ1 LYS A 18 132.886 -14.943 -2.840 1.00 2.18 H new ATOM 0 HZ2 LYS A 18 131.926 -13.561 -2.608 1.00 2.18 H new ATOM 0 HZ3 LYS A 18 131.466 -14.732 -3.748 1.00 2.18 H new ATOM 287 N PRO A 19 131.516 -7.925 -7.988 1.00 0.32 N ATOM 288 CA PRO A 19 130.834 -6.634 -8.328 1.00 0.25 C ATOM 289 C PRO A 19 130.385 -5.853 -7.090 1.00 0.22 C ATOM 290 O PRO A 19 130.115 -6.413 -6.046 1.00 0.25 O ATOM 291 CB PRO A 19 129.622 -7.064 -9.181 1.00 0.29 C ATOM 292 CG PRO A 19 129.385 -8.496 -8.825 1.00 0.35 C ATOM 293 CD PRO A 19 130.758 -9.081 -8.505 1.00 0.38 C ATOM 0 HA PRO A 19 131.508 -5.954 -8.849 1.00 0.25 H new ATOM 0 HB2 PRO A 19 128.747 -6.453 -8.960 1.00 0.29 H new ATOM 0 HB3 PRO A 19 129.829 -6.951 -10.245 1.00 0.29 H new ATOM 0 HG2 PRO A 19 128.716 -8.580 -7.969 1.00 0.35 H new ATOM 0 HG3 PRO A 19 128.915 -9.031 -9.650 1.00 0.35 H new ATOM 0 HD2 PRO A 19 130.691 -9.880 -7.766 1.00 0.38 H new ATOM 0 HD3 PRO A 19 131.229 -9.506 -9.391 1.00 0.38 H new ATOM 301 N VAL A 20 130.312 -4.556 -7.211 1.00 0.19 N ATOM 302 CA VAL A 20 129.893 -3.716 -6.060 1.00 0.19 C ATOM 303 C VAL A 20 128.556 -4.208 -5.507 1.00 0.19 C ATOM 304 O VAL A 20 128.357 -4.292 -4.312 1.00 0.27 O ATOM 305 CB VAL A 20 129.763 -2.261 -6.516 1.00 0.23 C ATOM 306 CG1 VAL A 20 128.729 -2.153 -7.647 1.00 0.27 C ATOM 307 CG2 VAL A 20 129.334 -1.400 -5.323 1.00 0.30 C ATOM 0 H VAL A 20 130.527 -4.041 -8.065 1.00 0.19 H new ATOM 0 HA VAL A 20 130.643 -3.786 -5.273 1.00 0.19 H new ATOM 0 HB VAL A 20 130.723 -1.908 -6.892 1.00 0.23 H new ATOM 0 HG11 VAL A 20 128.644 -1.114 -7.964 1.00 0.27 H new ATOM 0 HG12 VAL A 20 129.047 -2.765 -8.491 1.00 0.27 H new ATOM 0 HG13 VAL A 20 127.761 -2.504 -7.290 1.00 0.27 H new ATOM 0 HG21 VAL A 20 129.239 -0.361 -5.639 1.00 0.30 H new ATOM 0 HG22 VAL A 20 128.375 -1.754 -4.945 1.00 0.30 H new ATOM 0 HG23 VAL A 20 130.083 -1.472 -4.534 1.00 0.30 H new ATOM 317 N GLY A 21 127.632 -4.526 -6.378 1.00 0.18 N ATOM 318 CA GLY A 21 126.295 -5.002 -5.929 1.00 0.19 C ATOM 319 C GLY A 21 126.440 -6.242 -5.046 1.00 0.18 C ATOM 320 O GLY A 21 125.469 -6.752 -4.524 1.00 0.19 O ATOM 0 H GLY A 21 127.751 -4.475 -7.390 1.00 0.18 H new ATOM 0 HA2 GLY A 21 125.787 -4.212 -5.376 1.00 0.19 H new ATOM 0 HA3 GLY A 21 125.675 -5.235 -6.795 1.00 0.19 H new ATOM 324 N SER A 22 127.634 -6.742 -4.875 1.00 0.19 N ATOM 325 CA SER A 22 127.819 -7.954 -4.026 1.00 0.21 C ATOM 326 C SER A 22 127.923 -7.554 -2.549 1.00 0.19 C ATOM 327 O SER A 22 127.684 -8.355 -1.667 1.00 0.21 O ATOM 328 CB SER A 22 129.104 -8.668 -4.447 1.00 0.24 C ATOM 329 OG SER A 22 129.270 -9.839 -3.658 1.00 1.38 O ATOM 0 H SER A 22 128.488 -6.364 -5.286 1.00 0.19 H new ATOM 0 HA SER A 22 126.963 -8.616 -4.155 1.00 0.21 H new ATOM 0 HB2 SER A 22 129.058 -8.931 -5.504 1.00 0.24 H new ATOM 0 HB3 SER A 22 129.960 -8.006 -4.320 1.00 0.24 H new ATOM 0 HG SER A 22 130.092 -10.300 -3.926 1.00 1.38 H new ATOM 335 N LEU A 23 128.288 -6.332 -2.267 1.00 0.17 N ATOM 336 CA LEU A 23 128.415 -5.911 -0.840 1.00 0.17 C ATOM 337 C LEU A 23 127.048 -5.968 -0.157 1.00 0.17 C ATOM 338 O LEU A 23 126.040 -5.579 -0.713 1.00 0.17 O ATOM 339 CB LEU A 23 128.956 -4.480 -0.768 1.00 0.17 C ATOM 340 CG LEU A 23 130.381 -4.433 -1.336 1.00 0.17 C ATOM 341 CD1 LEU A 23 130.783 -2.971 -1.549 1.00 0.21 C ATOM 342 CD2 LEU A 23 131.389 -5.124 -0.369 1.00 0.21 C ATOM 0 H LEU A 23 128.502 -5.611 -2.956 1.00 0.17 H new ATOM 0 HA LEU A 23 129.103 -6.587 -0.332 1.00 0.17 H new ATOM 0 HB2 LEU A 23 128.308 -3.808 -1.331 1.00 0.17 H new ATOM 0 HB3 LEU A 23 128.955 -4.133 0.265 1.00 0.17 H new ATOM 0 HG LEU A 23 130.402 -4.969 -2.285 1.00 0.17 H new ATOM 0 HD11 LEU A 23 131.795 -2.927 -1.953 1.00 0.21 H new ATOM 0 HD12 LEU A 23 130.092 -2.502 -2.250 1.00 0.21 H new ATOM 0 HD13 LEU A 23 130.749 -2.442 -0.597 1.00 0.21 H new ATOM 0 HD21 LEU A 23 132.392 -5.077 -0.794 1.00 0.21 H new ATOM 0 HD22 LEU A 23 131.379 -4.612 0.593 1.00 0.21 H new ATOM 0 HD23 LEU A 23 131.103 -6.166 -0.229 1.00 0.21 H new ATOM 354 N ALA A 24 127.020 -6.447 1.050 1.00 0.18 N ATOM 355 CA ALA A 24 125.727 -6.530 1.783 1.00 0.19 C ATOM 356 C ALA A 24 125.180 -5.119 2.028 1.00 0.19 C ATOM 357 O ALA A 24 125.891 -4.220 2.433 1.00 0.20 O ATOM 358 CB ALA A 24 125.940 -7.243 3.121 1.00 0.21 C ATOM 0 H ALA A 24 127.834 -6.785 1.563 1.00 0.18 H new ATOM 0 HA ALA A 24 125.009 -7.093 1.186 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.992 -7.303 3.656 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.319 -8.249 2.941 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.660 -6.686 3.720 1.00 0.21 H new ATOM 364 N GLY A 25 123.914 -4.931 1.777 1.00 0.18 N ATOM 365 CA GLY A 25 123.288 -3.587 1.982 1.00 0.19 C ATOM 366 C GLY A 25 123.227 -2.847 0.644 1.00 0.17 C ATOM 367 O GLY A 25 122.442 -1.937 0.466 1.00 0.18 O ATOM 0 H GLY A 25 123.279 -5.653 1.436 1.00 0.18 H new ATOM 0 HA2 GLY A 25 122.285 -3.699 2.394 1.00 0.19 H new ATOM 0 HA3 GLY A 25 123.866 -3.010 2.704 1.00 0.19 H new ATOM 371 N ILE A 26 124.040 -3.240 -0.304 1.00 0.16 N ATOM 372 CA ILE A 26 124.023 -2.570 -1.641 1.00 0.15 C ATOM 373 C ILE A 26 123.187 -3.426 -2.591 1.00 0.16 C ATOM 374 O ILE A 26 123.567 -4.527 -2.938 1.00 0.17 O ATOM 375 CB ILE A 26 125.454 -2.449 -2.177 1.00 0.16 C ATOM 376 CG1 ILE A 26 126.351 -1.771 -1.120 1.00 0.18 C ATOM 377 CG2 ILE A 26 125.461 -1.637 -3.488 1.00 0.18 C ATOM 378 CD1 ILE A 26 125.759 -0.426 -0.672 1.00 0.19 C ATOM 0 H ILE A 26 124.716 -3.998 -0.210 1.00 0.16 H new ATOM 0 HA ILE A 26 123.595 -1.571 -1.558 1.00 0.15 H new ATOM 0 HB ILE A 26 125.845 -3.445 -2.384 1.00 0.16 H new ATOM 0 HG12 ILE A 26 126.462 -2.428 -0.257 1.00 0.18 H new ATOM 0 HG13 ILE A 26 127.348 -1.614 -1.532 1.00 0.18 H new ATOM 0 HG21 ILE A 26 126.482 -1.557 -3.861 1.00 0.18 H new ATOM 0 HG22 ILE A 26 124.842 -2.140 -4.231 1.00 0.18 H new ATOM 0 HG23 ILE A 26 125.064 -0.639 -3.300 1.00 0.18 H new ATOM 0 HD11 ILE A 26 126.412 0.029 0.073 1.00 0.19 H new ATOM 0 HD12 ILE A 26 125.672 0.238 -1.532 1.00 0.19 H new ATOM 0 HD13 ILE A 26 124.772 -0.589 -0.238 1.00 0.19 H new ATOM 390 N GLY A 27 122.048 -2.945 -3.014 1.00 0.16 N ATOM 391 CA GLY A 27 121.196 -3.750 -3.939 1.00 0.18 C ATOM 392 C GLY A 27 121.567 -3.439 -5.390 1.00 0.19 C ATOM 393 O GLY A 27 122.423 -2.621 -5.663 1.00 0.19 O ATOM 0 H GLY A 27 121.671 -2.032 -2.760 1.00 0.16 H new ATOM 0 HA2 GLY A 27 121.331 -4.813 -3.740 1.00 0.18 H new ATOM 0 HA3 GLY A 27 120.144 -3.525 -3.767 1.00 0.18 H new ATOM 397 N GLU A 28 120.944 -4.108 -6.319 1.00 0.22 N ATOM 398 CA GLU A 28 121.278 -3.869 -7.751 1.00 0.26 C ATOM 399 C GLU A 28 121.045 -2.394 -8.104 1.00 0.26 C ATOM 400 O GLU A 28 121.818 -1.793 -8.824 1.00 0.29 O ATOM 401 CB GLU A 28 120.412 -4.764 -8.642 1.00 0.30 C ATOM 402 CG GLU A 28 120.788 -6.230 -8.405 1.00 0.34 C ATOM 403 CD GLU A 28 120.156 -7.106 -9.489 1.00 1.21 C ATOM 404 OE1 GLU A 28 119.481 -6.561 -10.346 1.00 1.80 O ATOM 405 OE2 GLU A 28 120.363 -8.308 -9.446 1.00 1.59 O ATOM 0 H GLU A 28 120.221 -4.807 -6.150 1.00 0.22 H new ATOM 0 HA GLU A 28 122.328 -4.110 -7.918 1.00 0.26 H new ATOM 0 HB2 GLU A 28 119.357 -4.607 -8.419 1.00 0.30 H new ATOM 0 HB3 GLU A 28 120.559 -4.504 -9.690 1.00 0.30 H new ATOM 0 HG2 GLU A 28 121.872 -6.344 -8.418 1.00 0.34 H new ATOM 0 HG3 GLU A 28 120.445 -6.549 -7.421 1.00 0.34 H new ATOM 412 N VAL A 29 119.993 -1.802 -7.605 1.00 0.23 N ATOM 413 CA VAL A 29 119.727 -0.365 -7.918 1.00 0.26 C ATOM 414 C VAL A 29 120.844 0.488 -7.311 1.00 0.26 C ATOM 415 O VAL A 29 121.381 1.371 -7.950 1.00 0.28 O ATOM 416 CB VAL A 29 118.362 0.032 -7.311 1.00 0.26 C ATOM 417 CG1 VAL A 29 118.094 1.549 -7.466 1.00 0.31 C ATOM 418 CG2 VAL A 29 117.232 -0.778 -7.992 1.00 0.28 C ATOM 0 H VAL A 29 119.307 -2.248 -6.996 1.00 0.23 H new ATOM 0 HA VAL A 29 119.701 -0.206 -8.996 1.00 0.26 H new ATOM 0 HB VAL A 29 118.385 -0.196 -6.245 1.00 0.26 H new ATOM 0 HG11 VAL A 29 117.126 1.794 -7.029 1.00 0.31 H new ATOM 0 HG12 VAL A 29 118.876 2.111 -6.955 1.00 0.31 H new ATOM 0 HG13 VAL A 29 118.091 1.812 -8.524 1.00 0.31 H new ATOM 0 HG21 VAL A 29 116.271 -0.495 -7.561 1.00 0.28 H new ATOM 0 HG22 VAL A 29 117.227 -0.567 -9.061 1.00 0.28 H new ATOM 0 HG23 VAL A 29 117.401 -1.843 -7.833 1.00 0.28 H new ATOM 428 N LEU A 30 121.186 0.241 -6.078 1.00 0.25 N ATOM 429 CA LEU A 30 122.254 1.043 -5.416 1.00 0.26 C ATOM 430 C LEU A 30 123.604 0.745 -6.064 1.00 0.27 C ATOM 431 O LEU A 30 124.413 1.627 -6.269 1.00 0.27 O ATOM 432 CB LEU A 30 122.309 0.686 -3.927 1.00 0.27 C ATOM 433 CG LEU A 30 120.975 1.034 -3.236 1.00 0.29 C ATOM 434 CD1 LEU A 30 120.975 0.481 -1.776 1.00 0.32 C ATOM 435 CD2 LEU A 30 120.771 2.567 -3.239 1.00 0.33 C ATOM 0 H LEU A 30 120.770 -0.486 -5.496 1.00 0.25 H new ATOM 0 HA LEU A 30 122.030 2.104 -5.529 1.00 0.26 H new ATOM 0 HB2 LEU A 30 122.519 -0.377 -3.810 1.00 0.27 H new ATOM 0 HB3 LEU A 30 123.125 1.227 -3.448 1.00 0.27 H new ATOM 0 HG LEU A 30 120.152 0.572 -3.781 1.00 0.29 H new ATOM 0 HD11 LEU A 30 120.030 0.730 -1.293 1.00 0.32 H new ATOM 0 HD12 LEU A 30 121.098 -0.602 -1.797 1.00 0.32 H new ATOM 0 HD13 LEU A 30 121.797 0.928 -1.217 1.00 0.32 H new ATOM 0 HD21 LEU A 30 119.827 2.809 -2.750 1.00 0.33 H new ATOM 0 HD22 LEU A 30 121.591 3.044 -2.702 1.00 0.33 H new ATOM 0 HD23 LEU A 30 120.751 2.929 -4.267 1.00 0.33 H new ATOM 447 N GLY A 31 123.854 -0.488 -6.391 1.00 0.28 N ATOM 448 CA GLY A 31 125.152 -0.830 -7.031 1.00 0.31 C ATOM 449 C GLY A 31 125.286 -0.038 -8.332 1.00 0.30 C ATOM 450 O GLY A 31 126.366 0.352 -8.728 1.00 0.30 O ATOM 0 H GLY A 31 123.219 -1.273 -6.244 1.00 0.28 H new ATOM 0 HA2 GLY A 31 125.977 -0.594 -6.359 1.00 0.31 H new ATOM 0 HA3 GLY A 31 125.202 -1.900 -7.234 1.00 0.31 H new ATOM 454 N LYS A 32 124.188 0.192 -9.004 1.00 0.30 N ATOM 455 CA LYS A 32 124.234 0.950 -10.288 1.00 0.33 C ATOM 456 C LYS A 32 124.639 2.409 -10.031 1.00 0.30 C ATOM 457 O LYS A 32 125.379 2.997 -10.795 1.00 0.33 O ATOM 458 CB LYS A 32 122.823 0.912 -10.934 1.00 0.36 C ATOM 459 CG LYS A 32 122.860 0.257 -12.327 1.00 1.03 C ATOM 460 CD LYS A 32 121.600 0.650 -13.114 1.00 1.55 C ATOM 461 CE LYS A 32 121.346 -0.368 -14.224 1.00 2.30 C ATOM 462 NZ LYS A 32 121.033 -1.689 -13.610 1.00 2.89 N ATOM 0 H LYS A 32 123.258 -0.114 -8.717 1.00 0.30 H new ATOM 0 HA LYS A 32 124.969 0.496 -10.953 1.00 0.33 H new ATOM 0 HB2 LYS A 32 122.140 0.359 -10.288 1.00 0.36 H new ATOM 0 HB3 LYS A 32 122.432 1.926 -11.017 1.00 0.36 H new ATOM 0 HG2 LYS A 32 123.752 0.575 -12.866 1.00 1.03 H new ATOM 0 HG3 LYS A 32 122.917 -0.827 -12.229 1.00 1.03 H new ATOM 0 HD2 LYS A 32 120.741 0.694 -12.445 1.00 1.55 H new ATOM 0 HD3 LYS A 32 121.723 1.645 -13.541 1.00 1.55 H new ATOM 0 HE2 LYS A 32 120.519 -0.040 -14.853 1.00 2.30 H new ATOM 0 HE3 LYS A 32 122.222 -0.450 -14.867 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 120.147 -2.057 -14.011 1.00 2.89 H new ATOM 0 HZ2 LYS A 32 121.806 -2.356 -13.809 1.00 2.89 H new ATOM 0 HZ3 LYS A 32 120.928 -1.578 -12.581 1.00 2.89 H new ATOM 476 N LYS A 33 124.140 3.008 -8.988 1.00 0.27 N ATOM 477 CA LYS A 33 124.483 4.432 -8.732 1.00 0.29 C ATOM 478 C LYS A 33 125.958 4.530 -8.353 1.00 0.28 C ATOM 479 O LYS A 33 126.679 5.365 -8.858 1.00 0.32 O ATOM 480 CB LYS A 33 123.598 4.959 -7.602 1.00 0.30 C ATOM 481 CG LYS A 33 122.137 4.895 -8.057 1.00 0.35 C ATOM 482 CD LYS A 33 121.214 5.418 -6.949 1.00 0.78 C ATOM 483 CE LYS A 33 119.737 5.355 -7.403 1.00 0.82 C ATOM 484 NZ LYS A 33 119.268 6.726 -7.750 1.00 1.51 N ATOM 0 H LYS A 33 123.515 2.577 -8.307 1.00 0.27 H new ATOM 0 HA LYS A 33 124.311 5.033 -9.625 1.00 0.29 H new ATOM 0 HB2 LYS A 33 123.740 4.363 -6.701 1.00 0.30 H new ATOM 0 HB3 LYS A 33 123.872 5.984 -7.353 1.00 0.30 H new ATOM 0 HG2 LYS A 33 122.004 5.488 -8.962 1.00 0.35 H new ATOM 0 HG3 LYS A 33 121.871 3.868 -8.307 1.00 0.35 H new ATOM 0 HD2 LYS A 33 121.349 4.825 -6.045 1.00 0.78 H new ATOM 0 HD3 LYS A 33 121.481 6.445 -6.699 1.00 0.78 H new ATOM 0 HE2 LYS A 33 119.638 4.695 -8.265 1.00 0.82 H new ATOM 0 HE3 LYS A 33 119.118 4.937 -6.609 1.00 0.82 H new ATOM 0 HZ1 LYS A 33 118.275 6.686 -8.056 1.00 1.51 H new ATOM 0 HZ2 LYS A 33 119.349 7.342 -6.916 1.00 1.51 H new ATOM 0 HZ3 LYS A 33 119.852 7.108 -8.521 1.00 1.51 H new ATOM 498 N LEU A 34 126.430 3.664 -7.503 1.00 0.24 N ATOM 499 CA LEU A 34 127.873 3.704 -7.148 1.00 0.24 C ATOM 500 C LEU A 34 128.684 3.429 -8.423 1.00 0.26 C ATOM 501 O LEU A 34 129.716 4.020 -8.667 1.00 0.28 O ATOM 502 CB LEU A 34 128.180 2.648 -6.075 1.00 0.21 C ATOM 503 CG LEU A 34 127.435 2.984 -4.769 1.00 0.20 C ATOM 504 CD1 LEU A 34 127.350 1.719 -3.896 1.00 0.23 C ATOM 505 CD2 LEU A 34 128.179 4.106 -3.987 1.00 0.27 C ATOM 0 H LEU A 34 125.884 2.936 -7.042 1.00 0.24 H new ATOM 0 HA LEU A 34 128.138 4.680 -6.743 1.00 0.24 H new ATOM 0 HB2 LEU A 34 127.881 1.661 -6.429 1.00 0.21 H new ATOM 0 HB3 LEU A 34 129.253 2.608 -5.890 1.00 0.21 H new ATOM 0 HG LEU A 34 126.433 3.337 -5.014 1.00 0.20 H new ATOM 0 HD11 LEU A 34 126.824 1.951 -2.970 1.00 0.23 H new ATOM 0 HD12 LEU A 34 126.810 0.940 -4.435 1.00 0.23 H new ATOM 0 HD13 LEU A 34 128.356 1.369 -3.664 1.00 0.23 H new ATOM 0 HD21 LEU A 34 127.637 4.329 -3.068 1.00 0.27 H new ATOM 0 HD22 LEU A 34 129.187 3.772 -3.742 1.00 0.27 H new ATOM 0 HD23 LEU A 34 128.234 5.004 -4.603 1.00 0.27 H new ATOM 517 N GLU A 35 128.212 2.522 -9.230 1.00 0.26 N ATOM 518 CA GLU A 35 128.936 2.187 -10.493 1.00 0.29 C ATOM 519 C GLU A 35 129.037 3.442 -11.366 1.00 0.34 C ATOM 520 O GLU A 35 130.066 3.728 -11.946 1.00 0.36 O ATOM 521 CB GLU A 35 128.162 1.090 -11.232 1.00 0.31 C ATOM 522 CG GLU A 35 128.888 0.707 -12.523 1.00 1.01 C ATOM 523 CD GLU A 35 128.155 -0.461 -13.186 1.00 1.01 C ATOM 524 OE1 GLU A 35 126.935 -0.434 -13.207 1.00 1.44 O ATOM 525 OE2 GLU A 35 128.824 -1.370 -13.650 1.00 1.51 O ATOM 0 H GLU A 35 127.353 1.995 -9.071 1.00 0.26 H new ATOM 0 HA GLU A 35 129.941 1.831 -10.268 1.00 0.29 H new ATOM 0 HB2 GLU A 35 128.058 0.214 -10.592 1.00 0.31 H new ATOM 0 HB3 GLU A 35 127.155 1.438 -11.462 1.00 0.31 H new ATOM 0 HG2 GLU A 35 128.925 1.560 -13.200 1.00 1.01 H new ATOM 0 HG3 GLU A 35 129.919 0.428 -12.305 1.00 1.01 H new ATOM 532 N GLU A 36 127.979 4.200 -11.449 1.00 0.36 N ATOM 533 CA GLU A 36 128.006 5.449 -12.264 1.00 0.42 C ATOM 534 C GLU A 36 128.947 6.450 -11.581 1.00 0.43 C ATOM 535 O GLU A 36 129.396 7.411 -12.173 1.00 0.48 O ATOM 536 CB GLU A 36 126.572 6.026 -12.359 1.00 0.44 C ATOM 537 CG GLU A 36 126.271 6.489 -13.791 1.00 1.29 C ATOM 538 CD GLU A 36 124.852 7.056 -13.857 1.00 1.73 C ATOM 539 OE1 GLU A 36 123.938 6.286 -14.101 1.00 2.45 O ATOM 540 OE2 GLU A 36 124.704 8.251 -13.661 1.00 2.13 O ATOM 0 H GLU A 36 127.091 4.008 -10.985 1.00 0.36 H new ATOM 0 HA GLU A 36 128.365 5.245 -13.273 1.00 0.42 H new ATOM 0 HB2 GLU A 36 125.849 5.269 -12.056 1.00 0.44 H new ATOM 0 HB3 GLU A 36 126.465 6.864 -11.670 1.00 0.44 H new ATOM 0 HG2 GLU A 36 126.991 7.247 -14.098 1.00 1.29 H new ATOM 0 HG3 GLU A 36 126.373 5.653 -14.484 1.00 1.29 H new ATOM 547 N ARG A 37 129.219 6.230 -10.327 1.00 0.39 N ATOM 548 CA ARG A 37 130.103 7.166 -9.573 1.00 0.41 C ATOM 549 C ARG A 37 131.566 6.717 -9.702 1.00 0.39 C ATOM 550 O ARG A 37 132.456 7.326 -9.142 1.00 0.40 O ATOM 551 CB ARG A 37 129.700 7.161 -8.095 1.00 0.41 C ATOM 552 CG ARG A 37 128.319 7.799 -7.909 1.00 0.48 C ATOM 553 CD ARG A 37 128.401 9.328 -7.939 1.00 0.71 C ATOM 554 NE ARG A 37 127.224 9.864 -7.198 1.00 1.34 N ATOM 555 CZ ARG A 37 127.132 11.136 -6.936 1.00 1.74 C ATOM 556 NH1 ARG A 37 128.006 11.969 -7.429 1.00 1.90 N ATOM 557 NH2 ARG A 37 126.150 11.578 -6.199 1.00 2.55 N ATOM 0 H ARG A 37 128.867 5.439 -9.787 1.00 0.39 H new ATOM 0 HA ARG A 37 129.997 8.171 -9.982 1.00 0.41 H new ATOM 0 HB2 ARG A 37 129.687 6.138 -7.720 1.00 0.41 H new ATOM 0 HB3 ARG A 37 130.440 7.706 -7.509 1.00 0.41 H new ATOM 0 HG2 ARG A 37 127.648 7.454 -8.696 1.00 0.48 H new ATOM 0 HG3 ARG A 37 127.891 7.475 -6.960 1.00 0.48 H new ATOM 0 HD2 ARG A 37 129.329 9.669 -7.480 1.00 0.71 H new ATOM 0 HD3 ARG A 37 128.402 9.690 -8.967 1.00 0.71 H new ATOM 0 HE ARG A 37 126.485 9.230 -6.894 1.00 1.34 H new ATOM 0 HH11 ARG A 37 128.762 11.624 -8.020 1.00 1.90 H new ATOM 0 HH12 ARG A 37 127.933 12.965 -7.223 1.00 1.90 H new ATOM 0 HH21 ARG A 37 125.457 10.927 -5.830 1.00 2.55 H new ATOM 0 HH22 ARG A 37 126.076 12.574 -5.992 1.00 2.55 H new ATOM 571 N GLY A 38 131.831 5.678 -10.464 1.00 0.37 N ATOM 572 CA GLY A 38 133.249 5.222 -10.658 1.00 0.36 C ATOM 573 C GLY A 38 133.568 4.007 -9.783 1.00 0.33 C ATOM 574 O GLY A 38 134.704 3.581 -9.708 1.00 0.48 O ATOM 0 H GLY A 38 131.129 5.128 -10.959 1.00 0.37 H new ATOM 0 HA2 GLY A 38 133.412 4.971 -11.706 1.00 0.36 H new ATOM 0 HA3 GLY A 38 133.931 6.037 -10.415 1.00 0.36 H new ATOM 578 N PHE A 39 132.592 3.437 -9.125 1.00 0.28 N ATOM 579 CA PHE A 39 132.850 2.239 -8.263 1.00 0.25 C ATOM 580 C PHE A 39 132.295 0.994 -8.959 1.00 0.27 C ATOM 581 O PHE A 39 131.260 0.474 -8.593 1.00 0.28 O ATOM 582 CB PHE A 39 132.125 2.423 -6.936 1.00 0.25 C ATOM 583 CG PHE A 39 132.709 3.590 -6.173 1.00 0.26 C ATOM 584 CD1 PHE A 39 132.233 4.883 -6.423 1.00 0.30 C ATOM 585 CD2 PHE A 39 133.710 3.385 -5.208 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.755 5.981 -5.714 1.00 0.34 C ATOM 587 CE2 PHE A 39 134.237 4.480 -4.496 1.00 0.33 C ATOM 588 CZ PHE A 39 133.759 5.779 -4.749 1.00 0.35 C ATOM 0 H PHE A 39 131.621 3.750 -9.146 1.00 0.28 H new ATOM 0 HA PHE A 39 133.921 2.126 -8.095 1.00 0.25 H new ATOM 0 HB2 PHE A 39 131.063 2.592 -7.115 1.00 0.25 H new ATOM 0 HB3 PHE A 39 132.207 1.514 -6.341 1.00 0.25 H new ATOM 0 HD1 PHE A 39 131.462 5.038 -7.163 1.00 0.30 H new ATOM 0 HD2 PHE A 39 134.075 2.388 -5.012 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.386 6.977 -5.910 1.00 0.34 H new ATOM 0 HE2 PHE A 39 135.008 4.323 -3.756 1.00 0.33 H new ATOM 0 HZ PHE A 39 134.162 6.620 -4.204 1.00 0.35 H new ATOM 598 N ASP A 40 132.963 0.530 -9.979 1.00 0.29 N ATOM 599 CA ASP A 40 132.459 -0.663 -10.719 1.00 0.32 C ATOM 600 C ASP A 40 132.817 -1.952 -9.974 1.00 0.30 C ATOM 601 O ASP A 40 132.352 -3.020 -10.322 1.00 0.33 O ATOM 602 CB ASP A 40 133.095 -0.694 -12.110 1.00 0.35 C ATOM 603 CG ASP A 40 134.610 -0.858 -11.971 1.00 0.31 C ATOM 604 OD1 ASP A 40 135.122 -0.570 -10.901 1.00 0.30 O ATOM 605 OD2 ASP A 40 135.233 -1.269 -12.936 1.00 0.36 O ATOM 0 H ASP A 40 133.835 0.924 -10.332 1.00 0.29 H new ATOM 0 HA ASP A 40 131.374 -0.595 -10.800 1.00 0.32 H new ATOM 0 HB2 ASP A 40 132.681 -1.516 -12.693 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.865 0.226 -12.648 1.00 0.35 H new ATOM 610 N LYS A 41 133.646 -1.869 -8.961 1.00 0.27 N ATOM 611 CA LYS A 41 134.047 -3.098 -8.196 1.00 0.27 C ATOM 612 C LYS A 41 133.845 -2.845 -6.694 1.00 0.23 C ATOM 613 O LYS A 41 133.902 -1.724 -6.230 1.00 0.22 O ATOM 614 CB LYS A 41 135.529 -3.399 -8.468 1.00 0.31 C ATOM 615 CG LYS A 41 135.771 -3.642 -9.974 1.00 0.40 C ATOM 616 CD LYS A 41 135.582 -5.129 -10.320 1.00 0.81 C ATOM 617 CE LYS A 41 135.495 -5.321 -11.852 1.00 0.60 C ATOM 618 NZ LYS A 41 136.396 -6.436 -12.261 1.00 1.43 N ATOM 0 H LYS A 41 134.065 -1.001 -8.628 1.00 0.27 H new ATOM 0 HA LYS A 41 133.437 -3.945 -8.510 1.00 0.27 H new ATOM 0 HB2 LYS A 41 136.143 -2.566 -8.126 1.00 0.31 H new ATOM 0 HB3 LYS A 41 135.837 -4.276 -7.899 1.00 0.31 H new ATOM 0 HG2 LYS A 41 135.081 -3.036 -10.561 1.00 0.40 H new ATOM 0 HG3 LYS A 41 136.779 -3.326 -10.241 1.00 0.40 H new ATOM 0 HD2 LYS A 41 136.414 -5.710 -9.921 1.00 0.81 H new ATOM 0 HD3 LYS A 41 134.675 -5.506 -9.848 1.00 0.81 H new ATOM 0 HE2 LYS A 41 134.468 -5.542 -12.145 1.00 0.60 H new ATOM 0 HE3 LYS A 41 135.781 -4.401 -12.362 1.00 0.60 H new ATOM 0 HZ1 LYS A 41 136.340 -6.568 -13.291 1.00 1.43 H new ATOM 0 HZ2 LYS A 41 137.375 -6.207 -11.994 1.00 1.43 H new ATOM 0 HZ3 LYS A 41 136.103 -7.312 -11.783 1.00 1.43 H new ATOM 632 N ALA A 42 133.600 -3.881 -5.937 1.00 0.22 N ATOM 633 CA ALA A 42 133.382 -3.718 -4.466 1.00 0.20 C ATOM 634 C ALA A 42 134.656 -3.208 -3.780 1.00 0.18 C ATOM 635 O ALA A 42 134.599 -2.399 -2.876 1.00 0.18 O ATOM 636 CB ALA A 42 132.988 -5.072 -3.864 1.00 0.21 C ATOM 0 H ALA A 42 133.541 -4.841 -6.275 1.00 0.22 H new ATOM 0 HA ALA A 42 132.587 -2.989 -4.307 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.828 -4.961 -2.792 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.070 -5.426 -4.333 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.786 -5.794 -4.038 1.00 0.21 H new ATOM 642 N TYR A 43 135.797 -3.691 -4.173 1.00 0.19 N ATOM 643 CA TYR A 43 137.051 -3.250 -3.503 1.00 0.19 C ATOM 644 C TYR A 43 137.253 -1.730 -3.656 1.00 0.18 C ATOM 645 O TYR A 43 137.993 -1.126 -2.905 1.00 0.18 O ATOM 646 CB TYR A 43 138.248 -4.033 -4.055 1.00 0.21 C ATOM 647 CG TYR A 43 138.661 -3.506 -5.401 1.00 0.20 C ATOM 648 CD1 TYR A 43 139.404 -2.322 -5.475 1.00 0.35 C ATOM 649 CD2 TYR A 43 138.315 -4.199 -6.577 1.00 0.29 C ATOM 650 CE1 TYR A 43 139.802 -1.821 -6.717 1.00 0.47 C ATOM 651 CE2 TYR A 43 138.715 -3.697 -7.829 1.00 0.39 C ATOM 652 CZ TYR A 43 139.460 -2.505 -7.898 1.00 0.46 C ATOM 653 OH TYR A 43 139.854 -2.006 -9.124 1.00 0.62 O ATOM 0 H TYR A 43 135.918 -4.369 -4.925 1.00 0.19 H new ATOM 0 HA TYR A 43 136.970 -3.460 -2.437 1.00 0.19 H new ATOM 0 HB2 TYR A 43 139.085 -3.963 -3.360 1.00 0.21 H new ATOM 0 HB3 TYR A 43 137.990 -5.089 -4.137 1.00 0.21 H new ATOM 0 HD1 TYR A 43 139.670 -1.795 -4.571 1.00 0.35 H new ATOM 0 HD2 TYR A 43 137.744 -5.114 -6.518 1.00 0.29 H new ATOM 0 HE1 TYR A 43 140.374 -0.906 -6.771 1.00 0.47 H new ATOM 0 HE2 TYR A 43 138.451 -4.224 -8.734 1.00 0.39 H new ATOM 0 HH TYR A 43 139.537 -2.600 -9.836 1.00 0.62 H new ATOM 663 N VAL A 44 136.583 -1.096 -4.585 1.00 0.18 N ATOM 664 CA VAL A 44 136.738 0.391 -4.717 1.00 0.19 C ATOM 665 C VAL A 44 135.879 1.037 -3.627 1.00 0.18 C ATOM 666 O VAL A 44 136.194 2.078 -3.080 1.00 0.18 O ATOM 667 CB VAL A 44 136.242 0.880 -6.093 1.00 0.21 C ATOM 668 CG1 VAL A 44 136.498 2.403 -6.248 1.00 0.24 C ATOM 669 CG2 VAL A 44 136.946 0.104 -7.220 1.00 0.25 C ATOM 0 H VAL A 44 135.944 -1.532 -5.250 1.00 0.18 H new ATOM 0 HA VAL A 44 137.790 0.659 -4.619 1.00 0.19 H new ATOM 0 HB VAL A 44 135.169 0.698 -6.161 1.00 0.21 H new ATOM 0 HG11 VAL A 44 136.143 2.734 -7.224 1.00 0.24 H new ATOM 0 HG12 VAL A 44 135.965 2.943 -5.465 1.00 0.24 H new ATOM 0 HG13 VAL A 44 137.566 2.603 -6.164 1.00 0.24 H new ATOM 0 HG21 VAL A 44 136.587 0.459 -8.186 1.00 0.25 H new ATOM 0 HG22 VAL A 44 138.022 0.262 -7.153 1.00 0.25 H new ATOM 0 HG23 VAL A 44 136.728 -0.959 -7.121 1.00 0.25 H new ATOM 679 N VAL A 45 134.790 0.391 -3.318 1.00 0.17 N ATOM 680 CA VAL A 45 133.868 0.913 -2.273 1.00 0.17 C ATOM 681 C VAL A 45 134.482 0.642 -0.904 1.00 0.16 C ATOM 682 O VAL A 45 134.437 1.477 -0.022 1.00 0.16 O ATOM 683 CB VAL A 45 132.503 0.223 -2.373 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.621 0.609 -1.151 1.00 0.19 C ATOM 685 CG2 VAL A 45 131.834 0.642 -3.692 1.00 0.20 C ATOM 0 H VAL A 45 134.497 -0.485 -3.750 1.00 0.17 H new ATOM 0 HA VAL A 45 133.724 1.984 -2.416 1.00 0.17 H new ATOM 0 HB VAL A 45 132.627 -0.860 -2.365 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.653 0.114 -1.230 1.00 0.19 H new ATOM 0 HG12 VAL A 45 132.115 0.294 -0.232 1.00 0.19 H new ATOM 0 HG13 VAL A 45 131.476 1.689 -1.134 1.00 0.19 H new ATOM 0 HG21 VAL A 45 130.861 0.158 -3.776 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.703 1.724 -3.706 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.463 0.342 -4.530 1.00 0.20 H new ATOM 695 N LEU A 46 135.084 -0.499 -0.717 1.00 0.16 N ATOM 696 CA LEU A 46 135.716 -0.766 0.598 1.00 0.17 C ATOM 697 C LEU A 46 136.773 0.314 0.815 1.00 0.18 C ATOM 698 O LEU A 46 137.002 0.765 1.917 1.00 0.20 O ATOM 699 CB LEU A 46 136.356 -2.175 0.614 1.00 0.19 C ATOM 700 CG LEU A 46 137.241 -2.391 1.868 1.00 0.22 C ATOM 701 CD1 LEU A 46 136.399 -2.443 3.150 1.00 0.30 C ATOM 702 CD2 LEU A 46 137.993 -3.715 1.738 1.00 0.29 C ATOM 0 H LEU A 46 135.164 -1.246 -1.407 1.00 0.16 H new ATOM 0 HA LEU A 46 134.976 -0.741 1.398 1.00 0.17 H new ATOM 0 HB2 LEU A 46 135.571 -2.931 0.588 1.00 0.19 H new ATOM 0 HB3 LEU A 46 136.959 -2.311 -0.284 1.00 0.19 H new ATOM 0 HG LEU A 46 137.933 -1.552 1.933 1.00 0.22 H new ATOM 0 HD11 LEU A 46 137.053 -2.596 4.009 1.00 0.30 H new ATOM 0 HD12 LEU A 46 135.858 -1.504 3.268 1.00 0.30 H new ATOM 0 HD13 LEU A 46 135.688 -3.266 3.085 1.00 0.30 H new ATOM 0 HD21 LEU A 46 138.616 -3.868 2.619 1.00 0.29 H new ATOM 0 HD22 LEU A 46 137.278 -4.533 1.653 1.00 0.29 H new ATOM 0 HD23 LEU A 46 138.623 -3.690 0.849 1.00 0.29 H new ATOM 714 N GLY A 47 137.417 0.730 -0.241 1.00 0.17 N ATOM 715 CA GLY A 47 138.461 1.779 -0.119 1.00 0.20 C ATOM 716 C GLY A 47 137.851 3.041 0.475 1.00 0.18 C ATOM 717 O GLY A 47 138.444 3.697 1.302 1.00 0.19 O ATOM 0 H GLY A 47 137.262 0.384 -1.188 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.275 1.424 0.513 1.00 0.20 H new ATOM 0 HA3 GLY A 47 138.889 1.996 -1.098 1.00 0.20 H new ATOM 721 N GLN A 48 136.667 3.386 0.061 1.00 0.18 N ATOM 722 CA GLN A 48 136.027 4.610 0.607 1.00 0.18 C ATOM 723 C GLN A 48 135.879 4.449 2.124 1.00 0.17 C ATOM 724 O GLN A 48 136.140 5.355 2.885 1.00 0.18 O ATOM 725 CB GLN A 48 134.642 4.769 -0.025 1.00 0.18 C ATOM 726 CG GLN A 48 134.076 6.148 0.309 1.00 0.21 C ATOM 727 CD GLN A 48 134.895 7.225 -0.410 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.878 7.312 -1.620 1.00 1.02 O ATOM 729 NE2 GLN A 48 135.620 8.052 0.291 1.00 1.10 N ATOM 0 H GLN A 48 136.117 2.875 -0.629 1.00 0.18 H new ATOM 0 HA GLN A 48 136.634 5.488 0.384 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.709 4.645 -1.106 1.00 0.18 H new ATOM 0 HB3 GLN A 48 133.972 3.992 0.344 1.00 0.18 H new ATOM 0 HG2 GLN A 48 133.031 6.207 0.005 1.00 0.21 H new ATOM 0 HG3 GLN A 48 134.104 6.313 1.386 1.00 0.21 H new ATOM 0 HE21 GLN A 48 135.635 7.980 1.308 1.00 1.10 H new ATOM 0 HE22 GLN A 48 136.171 8.770 -0.178 1.00 1.10 H new ATOM 738 N PHE A 49 135.477 3.289 2.561 1.00 0.17 N ATOM 739 CA PHE A 49 135.321 3.034 4.024 1.00 0.17 C ATOM 740 C PHE A 49 136.671 3.231 4.727 1.00 0.19 C ATOM 741 O PHE A 49 136.749 3.765 5.815 1.00 0.20 O ATOM 742 CB PHE A 49 134.838 1.593 4.206 1.00 0.18 C ATOM 743 CG PHE A 49 134.661 1.276 5.671 1.00 0.20 C ATOM 744 CD1 PHE A 49 133.561 1.796 6.379 1.00 0.27 C ATOM 745 CD2 PHE A 49 135.587 0.440 6.325 1.00 0.29 C ATOM 746 CE1 PHE A 49 133.386 1.480 7.740 1.00 0.29 C ATOM 747 CE2 PHE A 49 135.415 0.126 7.686 1.00 0.32 C ATOM 748 CZ PHE A 49 134.314 0.645 8.394 1.00 0.27 C ATOM 0 H PHE A 49 135.247 2.496 1.962 1.00 0.17 H new ATOM 0 HA PHE A 49 134.600 3.727 4.458 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.894 1.451 3.680 1.00 0.18 H new ATOM 0 HB3 PHE A 49 135.557 0.904 3.763 1.00 0.18 H new ATOM 0 HD1 PHE A 49 132.851 2.438 5.878 1.00 0.27 H new ATOM 0 HD2 PHE A 49 136.430 0.040 5.781 1.00 0.29 H new ATOM 0 HE1 PHE A 49 132.541 1.877 8.282 1.00 0.29 H new ATOM 0 HE2 PHE A 49 136.127 -0.513 8.187 1.00 0.32 H new ATOM 0 HZ PHE A 49 134.181 0.403 9.438 1.00 0.27 H new ATOM 758 N LEU A 50 137.720 2.791 4.111 1.00 0.19 N ATOM 759 CA LEU A 50 139.065 2.938 4.746 1.00 0.22 C ATOM 760 C LEU A 50 139.453 4.426 4.755 1.00 0.23 C ATOM 761 O LEU A 50 140.055 4.914 5.692 1.00 0.25 O ATOM 762 CB LEU A 50 140.090 2.123 3.949 1.00 0.24 C ATOM 763 CG LEU A 50 139.681 0.637 3.904 1.00 0.22 C ATOM 764 CD1 LEU A 50 140.641 -0.147 2.985 1.00 0.32 C ATOM 765 CD2 LEU A 50 139.717 0.020 5.307 1.00 0.31 C ATOM 0 H LEU A 50 137.715 2.336 3.198 1.00 0.19 H new ATOM 0 HA LEU A 50 139.042 2.569 5.771 1.00 0.22 H new ATOM 0 HB2 LEU A 50 140.167 2.516 2.935 1.00 0.24 H new ATOM 0 HB3 LEU A 50 141.075 2.221 4.405 1.00 0.24 H new ATOM 0 HG LEU A 50 138.665 0.578 3.515 1.00 0.22 H new ATOM 0 HD11 LEU A 50 140.345 -1.196 2.959 1.00 0.32 H new ATOM 0 HD12 LEU A 50 140.599 0.267 1.977 1.00 0.32 H new ATOM 0 HD13 LEU A 50 141.658 -0.067 3.368 1.00 0.32 H new ATOM 0 HD21 LEU A 50 139.425 -1.029 5.251 1.00 0.31 H new ATOM 0 HD22 LEU A 50 140.726 0.094 5.711 1.00 0.31 H new ATOM 0 HD23 LEU A 50 139.025 0.555 5.958 1.00 0.31 H new ATOM 777 N VAL A 51 139.122 5.141 3.719 1.00 0.23 N ATOM 778 CA VAL A 51 139.469 6.597 3.650 1.00 0.26 C ATOM 779 C VAL A 51 138.683 7.370 4.723 1.00 0.27 C ATOM 780 O VAL A 51 139.119 8.396 5.206 1.00 0.28 O ATOM 781 CB VAL A 51 139.120 7.111 2.239 1.00 0.30 C ATOM 782 CG1 VAL A 51 139.289 8.642 2.117 1.00 0.31 C ATOM 783 CG2 VAL A 51 140.045 6.422 1.230 1.00 0.31 C ATOM 0 H VAL A 51 138.621 4.781 2.907 1.00 0.23 H new ATOM 0 HA VAL A 51 140.532 6.746 3.838 1.00 0.26 H new ATOM 0 HB VAL A 51 138.073 6.879 2.041 1.00 0.30 H new ATOM 0 HG11 VAL A 51 139.032 8.957 1.106 1.00 0.31 H new ATOM 0 HG12 VAL A 51 138.631 9.139 2.830 1.00 0.31 H new ATOM 0 HG13 VAL A 51 140.324 8.912 2.329 1.00 0.31 H new ATOM 0 HG21 VAL A 51 139.813 6.773 0.225 1.00 0.31 H new ATOM 0 HG22 VAL A 51 141.082 6.659 1.467 1.00 0.31 H new ATOM 0 HG23 VAL A 51 139.899 5.343 1.280 1.00 0.31 H new ATOM 793 N LEU A 52 137.527 6.891 5.089 1.00 0.27 N ATOM 794 CA LEU A 52 136.708 7.614 6.117 1.00 0.29 C ATOM 795 C LEU A 52 137.102 7.170 7.529 1.00 0.28 C ATOM 796 O LEU A 52 136.415 7.461 8.484 1.00 0.29 O ATOM 797 CB LEU A 52 135.223 7.331 5.890 1.00 0.31 C ATOM 798 CG LEU A 52 134.790 7.847 4.506 1.00 0.30 C ATOM 799 CD1 LEU A 52 133.316 7.478 4.258 1.00 0.38 C ATOM 800 CD2 LEU A 52 134.960 9.381 4.432 1.00 0.30 C ATOM 0 H LEU A 52 137.110 6.034 4.726 1.00 0.27 H new ATOM 0 HA LEU A 52 136.896 8.683 6.019 1.00 0.29 H new ATOM 0 HB2 LEU A 52 135.034 6.260 5.963 1.00 0.31 H new ATOM 0 HB3 LEU A 52 134.630 7.813 6.668 1.00 0.31 H new ATOM 0 HG LEU A 52 135.416 7.385 3.743 1.00 0.30 H new ATOM 0 HD11 LEU A 52 133.009 7.843 3.278 1.00 0.38 H new ATOM 0 HD12 LEU A 52 133.201 6.395 4.294 1.00 0.38 H new ATOM 0 HD13 LEU A 52 132.692 7.934 5.027 1.00 0.38 H new ATOM 0 HD21 LEU A 52 134.651 9.734 3.448 1.00 0.30 H new ATOM 0 HD22 LEU A 52 134.344 9.853 5.197 1.00 0.30 H new ATOM 0 HD23 LEU A 52 136.006 9.640 4.598 1.00 0.30 H new ATOM 812 N LYS A 53 138.194 6.486 7.686 1.00 0.27 N ATOM 813 CA LYS A 53 138.601 6.061 9.057 1.00 0.28 C ATOM 814 C LYS A 53 137.429 5.386 9.777 1.00 0.29 C ATOM 815 O LYS A 53 137.232 5.565 10.962 1.00 0.36 O ATOM 816 CB LYS A 53 139.053 7.293 9.848 1.00 0.31 C ATOM 817 CG LYS A 53 140.441 7.724 9.355 1.00 0.36 C ATOM 818 CD LYS A 53 140.935 8.970 10.131 1.00 0.73 C ATOM 819 CE LYS A 53 140.536 10.275 9.417 1.00 1.27 C ATOM 820 NZ LYS A 53 141.474 11.358 9.828 1.00 2.11 N ATOM 0 H LYS A 53 138.822 6.202 6.934 1.00 0.27 H new ATOM 0 HA LYS A 53 139.420 5.346 8.983 1.00 0.28 H new ATOM 0 HB2 LYS A 53 138.339 8.106 9.719 1.00 0.31 H new ATOM 0 HB3 LYS A 53 139.086 7.065 10.913 1.00 0.31 H new ATOM 0 HG2 LYS A 53 141.149 6.905 9.484 1.00 0.36 H new ATOM 0 HG3 LYS A 53 140.401 7.946 8.289 1.00 0.36 H new ATOM 0 HD2 LYS A 53 140.517 8.962 11.138 1.00 0.73 H new ATOM 0 HD3 LYS A 53 142.019 8.928 10.236 1.00 0.73 H new ATOM 0 HE2 LYS A 53 140.569 10.138 8.336 1.00 1.27 H new ATOM 0 HE3 LYS A 53 139.512 10.546 9.673 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 140.976 12.271 9.818 1.00 2.11 H new ATOM 0 HZ2 LYS A 53 141.826 11.167 10.788 1.00 2.11 H new ATOM 0 HZ3 LYS A 53 142.275 11.393 9.166 1.00 2.11 H new ATOM 834 N LYS A 54 136.657 4.599 9.074 1.00 0.28 N ATOM 835 CA LYS A 54 135.503 3.893 9.703 1.00 0.30 C ATOM 836 C LYS A 54 134.558 4.907 10.356 1.00 0.27 C ATOM 837 O LYS A 54 133.760 4.544 11.197 1.00 0.31 O ATOM 838 CB LYS A 54 135.999 2.938 10.798 1.00 0.39 C ATOM 839 CG LYS A 54 137.222 2.145 10.326 1.00 0.85 C ATOM 840 CD LYS A 54 137.653 1.179 11.452 1.00 0.91 C ATOM 841 CE LYS A 54 139.120 0.726 11.283 1.00 1.43 C ATOM 842 NZ LYS A 54 139.160 -0.566 10.544 1.00 1.94 N ATOM 0 H LYS A 54 136.779 4.414 8.078 1.00 0.28 H new ATOM 0 HA LYS A 54 134.982 3.336 8.924 1.00 0.30 H new ATOM 0 HB2 LYS A 54 136.253 3.506 11.693 1.00 0.39 H new ATOM 0 HB3 LYS A 54 135.200 2.250 11.074 1.00 0.39 H new ATOM 0 HG2 LYS A 54 136.984 1.587 9.421 1.00 0.85 H new ATOM 0 HG3 LYS A 54 138.038 2.823 10.077 1.00 0.85 H new ATOM 0 HD2 LYS A 54 137.532 1.669 12.418 1.00 0.91 H new ATOM 0 HD3 LYS A 54 137.000 0.306 11.453 1.00 0.91 H new ATOM 0 HE2 LYS A 54 139.686 1.484 10.742 1.00 1.43 H new ATOM 0 HE3 LYS A 54 139.591 0.613 12.259 1.00 1.43 H new ATOM 0 HZ1 LYS A 54 140.148 -0.871 10.430 1.00 1.94 H new ATOM 0 HZ2 LYS A 54 138.634 -1.288 11.078 1.00 1.94 H new ATOM 0 HZ3 LYS A 54 138.726 -0.444 9.607 1.00 1.94 H new ATOM 856 N ASP A 55 134.606 6.160 9.994 1.00 0.26 N ATOM 857 CA ASP A 55 133.658 7.107 10.644 1.00 0.32 C ATOM 858 C ASP A 55 132.253 6.707 10.199 1.00 0.32 C ATOM 859 O ASP A 55 131.864 6.904 9.065 1.00 0.31 O ATOM 860 CB ASP A 55 133.970 8.562 10.229 1.00 0.40 C ATOM 861 CG ASP A 55 134.754 9.282 11.337 1.00 1.18 C ATOM 862 OD1 ASP A 55 134.418 9.090 12.495 1.00 1.84 O ATOM 863 OD2 ASP A 55 135.671 10.015 11.008 1.00 1.56 O ATOM 0 H ASP A 55 135.238 6.559 9.300 1.00 0.26 H new ATOM 0 HA ASP A 55 133.747 7.059 11.729 1.00 0.32 H new ATOM 0 HB2 ASP A 55 134.548 8.567 9.305 1.00 0.40 H new ATOM 0 HB3 ASP A 55 133.041 9.096 10.027 1.00 0.40 H new ATOM 868 N GLU A 56 131.505 6.122 11.084 1.00 0.32 N ATOM 869 CA GLU A 56 130.138 5.672 10.730 1.00 0.31 C ATOM 870 C GLU A 56 129.265 6.846 10.281 1.00 0.31 C ATOM 871 O GLU A 56 128.503 6.731 9.351 1.00 0.31 O ATOM 872 CB GLU A 56 129.504 4.999 11.949 1.00 0.33 C ATOM 873 CG GLU A 56 128.124 4.454 11.576 1.00 0.34 C ATOM 874 CD GLU A 56 127.547 3.675 12.759 1.00 0.53 C ATOM 875 OE1 GLU A 56 128.268 3.485 13.725 1.00 1.05 O ATOM 876 OE2 GLU A 56 126.396 3.279 12.679 1.00 0.86 O ATOM 0 H GLU A 56 131.785 5.935 12.047 1.00 0.32 H new ATOM 0 HA GLU A 56 130.208 4.967 9.901 1.00 0.31 H new ATOM 0 HB2 GLU A 56 130.142 4.189 12.303 1.00 0.33 H new ATOM 0 HB3 GLU A 56 129.415 5.715 12.766 1.00 0.33 H new ATOM 0 HG2 GLU A 56 127.458 5.274 11.307 1.00 0.34 H new ATOM 0 HG3 GLU A 56 128.201 3.806 10.703 1.00 0.34 H new ATOM 883 N ASP A 57 129.361 7.979 10.914 1.00 0.33 N ATOM 884 CA ASP A 57 128.506 9.121 10.481 1.00 0.34 C ATOM 885 C ASP A 57 128.967 9.633 9.118 1.00 0.33 C ATOM 886 O ASP A 57 128.161 9.947 8.269 1.00 0.34 O ATOM 887 CB ASP A 57 128.596 10.251 11.507 1.00 0.37 C ATOM 888 CG ASP A 57 127.888 9.830 12.795 1.00 0.39 C ATOM 889 OD1 ASP A 57 127.157 8.853 12.754 1.00 0.86 O ATOM 890 OD2 ASP A 57 128.085 10.492 13.800 1.00 0.90 O ATOM 0 H ASP A 57 129.983 8.165 11.700 1.00 0.33 H new ATOM 0 HA ASP A 57 127.473 8.780 10.405 1.00 0.34 H new ATOM 0 HB2 ASP A 57 129.640 10.486 11.714 1.00 0.37 H new ATOM 0 HB3 ASP A 57 128.139 11.156 11.108 1.00 0.37 H new ATOM 895 N LEU A 58 130.240 9.703 8.883 1.00 0.33 N ATOM 896 CA LEU A 58 130.692 10.182 7.547 1.00 0.33 C ATOM 897 C LEU A 58 130.372 9.117 6.496 1.00 0.31 C ATOM 898 O LEU A 58 129.947 9.423 5.399 1.00 0.31 O ATOM 899 CB LEU A 58 132.201 10.463 7.553 1.00 0.34 C ATOM 900 CG LEU A 58 132.538 11.544 8.590 1.00 0.39 C ATOM 901 CD1 LEU A 58 134.057 11.749 8.629 1.00 0.38 C ATOM 902 CD2 LEU A 58 131.856 12.873 8.214 1.00 0.45 C ATOM 0 H LEU A 58 130.979 9.456 9.541 1.00 0.33 H new ATOM 0 HA LEU A 58 130.170 11.109 7.309 1.00 0.33 H new ATOM 0 HB2 LEU A 58 132.747 9.548 7.781 1.00 0.34 H new ATOM 0 HB3 LEU A 58 132.521 10.787 6.563 1.00 0.34 H new ATOM 0 HG LEU A 58 132.179 11.224 9.568 1.00 0.39 H new ATOM 0 HD11 LEU A 58 134.302 12.516 9.364 1.00 0.38 H new ATOM 0 HD12 LEU A 58 134.543 10.813 8.905 1.00 0.38 H new ATOM 0 HD13 LEU A 58 134.407 12.064 7.646 1.00 0.38 H new ATOM 0 HD21 LEU A 58 132.103 13.631 8.957 1.00 0.45 H new ATOM 0 HD22 LEU A 58 132.206 13.197 7.234 1.00 0.45 H new ATOM 0 HD23 LEU A 58 130.776 12.732 8.184 1.00 0.45 H new ATOM 914 N PHE A 59 130.563 7.867 6.827 1.00 0.29 N ATOM 915 CA PHE A 59 130.259 6.784 5.849 1.00 0.28 C ATOM 916 C PHE A 59 128.773 6.777 5.504 1.00 0.28 C ATOM 917 O PHE A 59 128.398 6.739 4.349 1.00 0.27 O ATOM 918 CB PHE A 59 130.655 5.426 6.434 1.00 0.29 C ATOM 919 CG PHE A 59 130.288 4.334 5.455 1.00 0.28 C ATOM 920 CD1 PHE A 59 131.194 3.956 4.444 1.00 0.30 C ATOM 921 CD2 PHE A 59 129.038 3.692 5.554 1.00 0.29 C ATOM 922 CE1 PHE A 59 130.849 2.939 3.532 1.00 0.32 C ATOM 923 CE2 PHE A 59 128.694 2.674 4.643 1.00 0.30 C ATOM 924 CZ PHE A 59 129.599 2.298 3.632 1.00 0.32 C ATOM 0 H PHE A 59 130.916 7.551 7.730 1.00 0.29 H new ATOM 0 HA PHE A 59 130.831 6.969 4.940 1.00 0.28 H new ATOM 0 HB2 PHE A 59 131.726 5.403 6.637 1.00 0.29 H new ATOM 0 HB3 PHE A 59 130.146 5.264 7.384 1.00 0.29 H new ATOM 0 HD1 PHE A 59 132.153 4.446 4.368 1.00 0.30 H new ATOM 0 HD2 PHE A 59 128.343 3.980 6.329 1.00 0.29 H new ATOM 0 HE1 PHE A 59 131.543 2.651 2.756 1.00 0.32 H new ATOM 0 HE2 PHE A 59 127.736 2.182 4.720 1.00 0.30 H new ATOM 0 HZ PHE A 59 129.335 1.518 2.933 1.00 0.32 H new ATOM 934 N ARG A 60 127.917 6.790 6.491 1.00 0.31 N ATOM 935 CA ARG A 60 126.464 6.755 6.186 1.00 0.32 C ATOM 936 C ARG A 60 126.065 8.009 5.409 1.00 0.29 C ATOM 937 O ARG A 60 125.304 7.939 4.465 1.00 0.28 O ATOM 938 CB ARG A 60 125.653 6.643 7.487 1.00 0.39 C ATOM 939 CG ARG A 60 125.967 5.295 8.154 1.00 0.43 C ATOM 940 CD ARG A 60 124.957 4.976 9.254 1.00 0.57 C ATOM 941 NE ARG A 60 124.885 6.142 10.189 1.00 1.29 N ATOM 942 CZ ARG A 60 124.231 6.051 11.309 1.00 1.68 C ATOM 943 NH1 ARG A 60 123.785 4.890 11.706 1.00 1.62 N ATOM 944 NH2 ARG A 60 124.056 7.107 12.055 1.00 2.77 N ATOM 0 H ARG A 60 128.160 6.823 7.481 1.00 0.31 H new ATOM 0 HA ARG A 60 126.249 5.881 5.571 1.00 0.32 H new ATOM 0 HB2 ARG A 60 125.903 7.464 8.159 1.00 0.39 H new ATOM 0 HB3 ARG A 60 124.587 6.719 7.274 1.00 0.39 H new ATOM 0 HG2 ARG A 60 125.955 4.504 7.405 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.972 5.320 8.575 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.977 4.777 8.821 1.00 0.57 H new ATOM 0 HD3 ARG A 60 125.256 4.077 9.793 1.00 0.57 H new ATOM 0 HE ARG A 60 125.353 7.015 9.946 1.00 1.29 H new ATOM 0 HH11 ARG A 60 123.950 4.059 11.138 1.00 1.62 H new ATOM 0 HH12 ARG A 60 123.271 4.814 12.584 1.00 1.62 H new ATOM 0 HH21 ARG A 60 124.433 8.008 11.760 1.00 2.77 H new ATOM 0 HH22 ARG A 60 123.542 7.032 12.933 1.00 2.77 H new ATOM 958 N GLU A 61 126.575 9.158 5.770 1.00 0.31 N ATOM 959 CA GLU A 61 126.214 10.384 5.009 1.00 0.30 C ATOM 960 C GLU A 61 126.772 10.244 3.583 1.00 0.28 C ATOM 961 O GLU A 61 126.135 10.617 2.621 1.00 0.27 O ATOM 962 CB GLU A 61 126.825 11.627 5.709 1.00 0.33 C ATOM 963 CG GLU A 61 125.760 12.712 5.921 1.00 1.25 C ATOM 964 CD GLU A 61 126.406 13.940 6.566 1.00 1.58 C ATOM 965 OE1 GLU A 61 127.515 13.812 7.057 1.00 2.02 O ATOM 966 OE2 GLU A 61 125.780 14.987 6.559 1.00 2.15 O ATOM 0 H GLU A 61 127.218 9.297 6.550 1.00 0.31 H new ATOM 0 HA GLU A 61 125.132 10.508 4.971 1.00 0.30 H new ATOM 0 HB2 GLU A 61 127.251 11.336 6.669 1.00 0.33 H new ATOM 0 HB3 GLU A 61 127.641 12.025 5.106 1.00 0.33 H new ATOM 0 HG2 GLU A 61 125.308 12.984 4.967 1.00 1.25 H new ATOM 0 HG3 GLU A 61 124.960 12.332 6.557 1.00 1.25 H new ATOM 973 N TRP A 62 127.958 9.717 3.443 1.00 0.27 N ATOM 974 CA TRP A 62 128.549 9.567 2.081 1.00 0.25 C ATOM 975 C TRP A 62 127.733 8.592 1.227 1.00 0.24 C ATOM 976 O TRP A 62 127.379 8.885 0.106 1.00 0.24 O ATOM 977 CB TRP A 62 129.989 9.040 2.207 1.00 0.25 C ATOM 978 CG TRP A 62 130.502 8.655 0.851 1.00 0.24 C ATOM 979 CD1 TRP A 62 131.058 9.500 -0.045 1.00 0.25 C ATOM 980 CD2 TRP A 62 130.482 7.341 0.220 1.00 0.24 C ATOM 981 NE1 TRP A 62 131.390 8.790 -1.187 1.00 0.25 N ATOM 982 CE2 TRP A 62 131.054 7.455 -1.075 1.00 0.25 C ATOM 983 CE3 TRP A 62 130.030 6.069 0.645 1.00 0.25 C ATOM 984 CZ2 TRP A 62 131.172 6.342 -1.923 1.00 0.26 C ATOM 985 CZ3 TRP A 62 130.148 4.949 -0.204 1.00 0.26 C ATOM 986 CH2 TRP A 62 130.718 5.086 -1.485 1.00 0.27 C ATOM 0 H TRP A 62 128.542 9.384 4.210 1.00 0.27 H new ATOM 0 HA TRP A 62 128.541 10.543 1.596 1.00 0.25 H new ATOM 0 HB2 TRP A 62 130.630 9.804 2.646 1.00 0.25 H new ATOM 0 HB3 TRP A 62 130.015 8.179 2.875 1.00 0.25 H new ATOM 0 HD1 TRP A 62 131.218 10.558 0.105 1.00 0.25 H new ATOM 0 HE1 TRP A 62 131.829 9.203 -2.010 1.00 0.25 H new ATOM 0 HE3 TRP A 62 129.592 5.955 1.626 1.00 0.25 H new ATOM 0 HZ2 TRP A 62 131.609 6.450 -2.905 1.00 0.26 H new ATOM 0 HZ3 TRP A 62 129.800 3.982 0.129 1.00 0.26 H new ATOM 0 HH2 TRP A 62 130.806 4.225 -2.131 1.00 0.27 H new ATOM 997 N LEU A 63 127.441 7.436 1.743 1.00 0.23 N ATOM 998 CA LEU A 63 126.665 6.446 0.945 1.00 0.23 C ATOM 999 C LEU A 63 125.263 6.989 0.675 1.00 0.23 C ATOM 1000 O LEU A 63 124.765 6.935 -0.431 1.00 0.24 O ATOM 1001 CB LEU A 63 126.576 5.133 1.733 1.00 0.24 C ATOM 1002 CG LEU A 63 125.771 4.081 0.951 1.00 0.25 C ATOM 1003 CD1 LEU A 63 126.481 3.731 -0.366 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.620 2.816 1.809 1.00 0.33 C ATOM 0 H LEU A 63 127.704 7.131 2.680 1.00 0.23 H new ATOM 0 HA LEU A 63 127.162 6.267 -0.008 1.00 0.23 H new ATOM 0 HB2 LEU A 63 127.579 4.755 1.934 1.00 0.24 H new ATOM 0 HB3 LEU A 63 126.105 5.314 2.699 1.00 0.24 H new ATOM 0 HG LEU A 63 124.787 4.489 0.718 1.00 0.25 H new ATOM 0 HD11 LEU A 63 125.898 2.985 -0.907 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.578 4.629 -0.977 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.471 3.330 -0.150 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.050 2.068 1.258 1.00 0.33 H new ATOM 0 HD22 LEU A 63 126.606 2.418 2.047 1.00 0.33 H new ATOM 0 HD23 LEU A 63 125.096 3.063 2.733 1.00 0.33 H new ATOM 1016 N LYS A 64 124.629 7.513 1.679 1.00 0.24 N ATOM 1017 CA LYS A 64 123.263 8.070 1.494 1.00 0.25 C ATOM 1018 C LYS A 64 123.308 9.250 0.525 1.00 0.26 C ATOM 1019 O LYS A 64 122.537 9.335 -0.411 1.00 0.27 O ATOM 1020 CB LYS A 64 122.712 8.532 2.844 1.00 0.26 C ATOM 1021 CG LYS A 64 121.305 9.106 2.659 1.00 0.27 C ATOM 1022 CD LYS A 64 120.744 9.526 4.019 1.00 0.65 C ATOM 1023 CE LYS A 64 119.496 10.405 3.830 1.00 1.14 C ATOM 1024 NZ LYS A 64 118.558 10.174 4.964 1.00 1.93 N ATOM 0 H LYS A 64 124.999 7.581 2.627 1.00 0.24 H new ATOM 0 HA LYS A 64 122.614 7.297 1.082 1.00 0.25 H new ATOM 0 HB2 LYS A 64 122.685 7.695 3.542 1.00 0.26 H new ATOM 0 HB3 LYS A 64 123.369 9.287 3.277 1.00 0.26 H new ATOM 0 HG2 LYS A 64 121.336 9.963 1.986 1.00 0.27 H new ATOM 0 HG3 LYS A 64 120.654 8.362 2.199 1.00 0.27 H new ATOM 0 HD2 LYS A 64 120.490 8.642 4.604 1.00 0.65 H new ATOM 0 HD3 LYS A 64 121.502 10.073 4.580 1.00 0.65 H new ATOM 0 HE2 LYS A 64 119.780 11.456 3.786 1.00 1.14 H new ATOM 0 HE3 LYS A 64 119.008 10.167 2.885 1.00 1.14 H new ATOM 0 HZ1 LYS A 64 117.712 10.766 4.841 1.00 1.93 H new ATOM 0 HZ2 LYS A 64 118.279 9.172 4.985 1.00 1.93 H new ATOM 0 HZ3 LYS A 64 119.027 10.422 5.859 1.00 1.93 H new ATOM 1038 N ASP A 65 124.200 10.170 0.758 1.00 0.27 N ATOM 1039 CA ASP A 65 124.298 11.362 -0.127 1.00 0.29 C ATOM 1040 C ASP A 65 124.764 10.933 -1.519 1.00 0.29 C ATOM 1041 O ASP A 65 124.441 11.556 -2.510 1.00 0.30 O ATOM 1042 CB ASP A 65 125.293 12.363 0.473 1.00 0.32 C ATOM 1043 CG ASP A 65 125.083 13.743 -0.154 1.00 1.02 C ATOM 1044 OD1 ASP A 65 124.848 13.800 -1.349 1.00 1.70 O ATOM 1045 OD2 ASP A 65 125.159 14.719 0.574 1.00 1.30 O ATOM 0 H ASP A 65 124.869 10.147 1.528 1.00 0.27 H new ATOM 0 HA ASP A 65 123.319 11.835 -0.211 1.00 0.29 H new ATOM 0 HB2 ASP A 65 125.159 12.420 1.553 1.00 0.32 H new ATOM 0 HB3 ASP A 65 126.314 12.025 0.296 1.00 0.32 H new ATOM 1050 N THR A 66 125.546 9.891 -1.600 1.00 0.28 N ATOM 1051 CA THR A 66 126.062 9.443 -2.923 1.00 0.28 C ATOM 1052 C THR A 66 124.992 8.665 -3.698 1.00 0.29 C ATOM 1053 O THR A 66 124.929 8.768 -4.908 1.00 0.32 O ATOM 1054 CB THR A 66 127.300 8.553 -2.703 1.00 0.28 C ATOM 1055 OG1 THR A 66 128.281 9.301 -1.999 1.00 0.27 O ATOM 1056 CG2 THR A 66 127.910 8.086 -4.045 1.00 0.30 C ATOM 0 H THR A 66 125.850 9.330 -0.804 1.00 0.28 H new ATOM 0 HA THR A 66 126.331 10.320 -3.511 1.00 0.28 H new ATOM 0 HB THR A 66 126.991 7.673 -2.138 1.00 0.28 H new ATOM 0 HG1 THR A 66 127.984 9.442 -1.076 1.00 0.27 H new ATOM 0 HG21 THR A 66 128.781 7.460 -3.851 1.00 0.30 H new ATOM 0 HG22 THR A 66 127.169 7.513 -4.602 1.00 0.30 H new ATOM 0 HG23 THR A 66 128.211 8.955 -4.630 1.00 0.30 H new ATOM 1064 N CYS A 67 124.180 7.852 -3.052 1.00 0.27 N ATOM 1065 CA CYS A 67 123.164 7.039 -3.807 1.00 0.29 C ATOM 1066 C CYS A 67 121.749 7.219 -3.252 1.00 0.29 C ATOM 1067 O CYS A 67 120.777 7.051 -3.961 1.00 0.34 O ATOM 1068 CB CYS A 67 123.548 5.564 -3.699 1.00 0.29 C ATOM 1069 SG CYS A 67 123.320 5.005 -1.993 1.00 0.30 S ATOM 0 H CYS A 67 124.177 7.717 -2.041 1.00 0.27 H new ATOM 0 HA CYS A 67 123.162 7.379 -4.843 1.00 0.29 H new ATOM 0 HB2 CYS A 67 122.934 4.967 -4.374 1.00 0.29 H new ATOM 0 HB3 CYS A 67 124.585 5.424 -4.003 1.00 0.29 H new ATOM 0 HG CYS A 67 124.090 5.694 -1.204 1.00 0.30 H new ATOM 1075 N GLY A 68 121.620 7.542 -1.991 1.00 0.26 N ATOM 1076 CA GLY A 68 120.260 7.715 -1.386 1.00 0.27 C ATOM 1077 C GLY A 68 119.927 6.488 -0.534 1.00 0.25 C ATOM 1078 O GLY A 68 118.796 6.288 -0.137 1.00 0.24 O ATOM 0 H GLY A 68 122.399 7.694 -1.350 1.00 0.26 H new ATOM 0 HA2 GLY A 68 120.234 8.616 -0.773 1.00 0.27 H new ATOM 0 HA3 GLY A 68 119.514 7.841 -2.170 1.00 0.27 H new ATOM 1082 N ALA A 69 120.900 5.667 -0.237 1.00 0.24 N ATOM 1083 CA ALA A 69 120.624 4.464 0.599 1.00 0.22 C ATOM 1084 C ALA A 69 119.878 4.897 1.858 1.00 0.23 C ATOM 1085 O ALA A 69 119.972 6.030 2.286 1.00 0.24 O ATOM 1086 CB ALA A 69 121.941 3.800 1.001 1.00 0.22 C ATOM 0 H ALA A 69 121.869 5.777 -0.536 1.00 0.24 H new ATOM 0 HA ALA A 69 120.022 3.756 0.030 1.00 0.22 H new ATOM 0 HB1 ALA A 69 121.734 2.921 1.612 1.00 0.22 H new ATOM 0 HB2 ALA A 69 122.485 3.499 0.106 1.00 0.22 H new ATOM 0 HB3 ALA A 69 122.544 4.505 1.573 1.00 0.22 H new ATOM 1092 N ASN A 70 119.137 4.010 2.456 1.00 0.22 N ATOM 1093 CA ASN A 70 118.383 4.381 3.686 1.00 0.23 C ATOM 1094 C ASN A 70 119.258 4.146 4.913 1.00 0.23 C ATOM 1095 O ASN A 70 120.279 3.490 4.849 1.00 0.22 O ATOM 1096 CB ASN A 70 117.131 3.509 3.792 1.00 0.23 C ATOM 1097 CG ASN A 70 116.138 3.908 2.701 1.00 1.15 C ATOM 1098 OD1 ASN A 70 116.529 4.228 1.596 1.00 2.04 O ATOM 1099 ND2 ASN A 70 114.861 3.905 2.966 1.00 1.83 N ATOM 0 H ASN A 70 119.020 3.045 2.148 1.00 0.22 H new ATOM 0 HA ASN A 70 118.101 5.433 3.634 1.00 0.23 H new ATOM 0 HB2 ASN A 70 117.398 2.457 3.689 1.00 0.23 H new ATOM 0 HB3 ASN A 70 116.675 3.627 4.775 1.00 0.23 H new ATOM 0 HD21 ASN A 70 114.190 4.171 2.245 1.00 1.83 H new ATOM 0 HD22 ASN A 70 114.533 3.636 3.894 1.00 1.83 H new ATOM 1106 N ALA A 71 118.858 4.669 6.035 1.00 0.26 N ATOM 1107 CA ALA A 71 119.654 4.471 7.273 1.00 0.30 C ATOM 1108 C ALA A 71 119.846 2.973 7.486 1.00 0.27 C ATOM 1109 O ALA A 71 120.832 2.531 8.025 1.00 0.29 O ATOM 1110 CB ALA A 71 118.883 5.061 8.463 1.00 0.35 C ATOM 0 H ALA A 71 118.011 5.227 6.148 1.00 0.26 H new ATOM 0 HA ALA A 71 120.622 4.964 7.187 1.00 0.30 H new ATOM 0 HB1 ALA A 71 119.460 4.920 9.377 1.00 0.35 H new ATOM 0 HB2 ALA A 71 118.719 6.126 8.298 1.00 0.35 H new ATOM 0 HB3 ALA A 71 117.922 4.556 8.560 1.00 0.35 H new ATOM 1116 N LYS A 72 118.877 2.205 7.094 1.00 0.26 N ATOM 1117 CA LYS A 72 118.916 0.730 7.291 1.00 0.26 C ATOM 1118 C LYS A 72 119.960 0.055 6.387 1.00 0.24 C ATOM 1119 O LYS A 72 120.740 -0.772 6.828 1.00 0.25 O ATOM 1120 CB LYS A 72 117.518 0.239 6.924 1.00 0.26 C ATOM 1121 CG LYS A 72 117.287 -1.210 7.342 1.00 1.46 C ATOM 1122 CD LYS A 72 115.792 -1.511 7.158 1.00 1.85 C ATOM 1123 CE LYS A 72 115.488 -3.000 7.380 1.00 2.98 C ATOM 1124 NZ LYS A 72 114.183 -3.118 8.091 1.00 3.63 N ATOM 0 H LYS A 72 118.034 2.545 6.632 1.00 0.26 H new ATOM 0 HA LYS A 72 119.196 0.485 8.315 1.00 0.26 H new ATOM 0 HB2 LYS A 72 116.774 0.876 7.402 1.00 0.26 H new ATOM 0 HB3 LYS A 72 117.373 0.332 5.848 1.00 0.26 H new ATOM 0 HG2 LYS A 72 117.891 -1.885 6.736 1.00 1.46 H new ATOM 0 HG3 LYS A 72 117.584 -1.362 8.380 1.00 1.46 H new ATOM 0 HD2 LYS A 72 115.210 -0.911 7.858 1.00 1.85 H new ATOM 0 HD3 LYS A 72 115.482 -1.221 6.154 1.00 1.85 H new ATOM 0 HE2 LYS A 72 115.447 -3.524 6.425 1.00 2.98 H new ATOM 0 HE3 LYS A 72 116.281 -3.465 7.965 1.00 2.98 H new ATOM 0 HZ1 LYS A 72 113.963 -4.122 8.249 1.00 3.63 H new ATOM 0 HZ2 LYS A 72 114.241 -2.628 9.007 1.00 3.63 H new ATOM 0 HZ3 LYS A 72 113.433 -2.686 7.514 1.00 3.63 H new ATOM 1138 N GLN A 73 119.956 0.368 5.123 1.00 0.23 N ATOM 1139 CA GLN A 73 120.909 -0.291 4.188 1.00 0.23 C ATOM 1140 C GLN A 73 122.340 0.134 4.485 1.00 0.23 C ATOM 1141 O GLN A 73 123.275 -0.613 4.271 1.00 0.23 O ATOM 1142 CB GLN A 73 120.537 0.072 2.750 1.00 0.23 C ATOM 1143 CG GLN A 73 119.083 -0.348 2.498 1.00 0.26 C ATOM 1144 CD GLN A 73 118.820 -0.470 0.999 1.00 1.22 C ATOM 1145 OE1 GLN A 73 119.030 0.462 0.250 1.00 2.13 O ATOM 1146 NE2 GLN A 73 118.362 -1.599 0.531 1.00 1.93 N ATOM 0 H GLN A 73 119.333 1.053 4.696 1.00 0.23 H new ATOM 0 HA GLN A 73 120.845 -1.371 4.320 1.00 0.23 H new ATOM 0 HB2 GLN A 73 120.654 1.144 2.588 1.00 0.23 H new ATOM 0 HB3 GLN A 73 121.203 -0.431 2.049 1.00 0.23 H new ATOM 0 HG2 GLN A 73 118.882 -1.301 2.988 1.00 0.26 H new ATOM 0 HG3 GLN A 73 118.405 0.385 2.935 1.00 0.26 H new ATOM 0 HE21 GLN A 73 118.187 -2.380 1.164 1.00 1.93 H new ATOM 0 HE22 GLN A 73 118.179 -1.701 -0.467 1.00 1.93 H new ATOM 1155 N SER A 74 122.528 1.318 4.979 1.00 0.26 N ATOM 1156 CA SER A 74 123.906 1.756 5.284 1.00 0.28 C ATOM 1157 C SER A 74 124.434 0.964 6.488 1.00 0.28 C ATOM 1158 O SER A 74 125.603 0.640 6.554 1.00 0.27 O ATOM 1159 CB SER A 74 123.917 3.255 5.568 1.00 0.33 C ATOM 1160 OG SER A 74 123.225 3.519 6.781 1.00 1.45 O ATOM 0 H SER A 74 121.793 1.996 5.183 1.00 0.26 H new ATOM 0 HA SER A 74 124.556 1.566 4.430 1.00 0.28 H new ATOM 0 HB2 SER A 74 124.944 3.614 5.639 1.00 0.33 H new ATOM 0 HB3 SER A 74 123.447 3.794 4.745 1.00 0.33 H new ATOM 0 HG SER A 74 122.443 2.932 6.846 1.00 1.45 H new ATOM 1166 N ARG A 75 123.587 0.631 7.440 1.00 0.29 N ATOM 1167 CA ARG A 75 124.070 -0.157 8.615 1.00 0.31 C ATOM 1168 C ARG A 75 124.628 -1.488 8.134 1.00 0.28 C ATOM 1169 O ARG A 75 125.610 -1.979 8.656 1.00 0.29 O ATOM 1170 CB ARG A 75 122.932 -0.435 9.600 1.00 0.35 C ATOM 1171 CG ARG A 75 122.540 0.850 10.326 1.00 0.44 C ATOM 1172 CD ARG A 75 121.730 0.503 11.567 1.00 1.00 C ATOM 1173 NE ARG A 75 121.322 1.799 12.199 1.00 1.48 N ATOM 1174 CZ ARG A 75 121.047 1.883 13.461 1.00 2.06 C ATOM 1175 NH1 ARG A 75 121.264 0.861 14.243 1.00 2.46 N ATOM 1176 NH2 ARG A 75 120.592 3.000 13.956 1.00 2.83 N ATOM 0 H ARG A 75 122.595 0.869 7.451 1.00 0.29 H new ATOM 0 HA ARG A 75 124.840 0.426 9.120 1.00 0.31 H new ATOM 0 HB2 ARG A 75 122.071 -0.838 9.068 1.00 0.35 H new ATOM 0 HB3 ARG A 75 123.242 -1.190 10.323 1.00 0.35 H new ATOM 0 HG2 ARG A 75 123.433 1.409 10.606 1.00 0.44 H new ATOM 0 HG3 ARG A 75 121.956 1.491 9.665 1.00 0.44 H new ATOM 0 HD2 ARG A 75 120.854 -0.090 11.303 1.00 1.00 H new ATOM 0 HD3 ARG A 75 122.322 -0.095 12.260 1.00 1.00 H new ATOM 0 HE ARG A 75 121.259 2.636 11.620 1.00 1.48 H new ATOM 0 HH11 ARG A 75 121.650 -0.002 13.859 1.00 2.46 H new ATOM 0 HH12 ARG A 75 121.048 0.925 15.238 1.00 2.46 H new ATOM 0 HH21 ARG A 75 120.453 3.808 13.349 1.00 2.83 H new ATOM 0 HH22 ARG A 75 120.375 3.066 14.950 1.00 2.83 H new ATOM 1190 N ASP A 76 124.011 -2.099 7.164 1.00 0.24 N ATOM 1191 CA ASP A 76 124.501 -3.413 6.680 1.00 0.23 C ATOM 1192 C ASP A 76 125.861 -3.238 6.015 1.00 0.21 C ATOM 1193 O ASP A 76 126.744 -4.055 6.179 1.00 0.22 O ATOM 1194 CB ASP A 76 123.503 -3.991 5.675 1.00 0.21 C ATOM 1195 CG ASP A 76 122.226 -4.405 6.408 1.00 0.24 C ATOM 1196 OD1 ASP A 76 122.292 -4.592 7.612 1.00 0.29 O ATOM 1197 OD2 ASP A 76 121.203 -4.526 5.754 1.00 0.30 O ATOM 0 H ASP A 76 123.185 -1.742 6.685 1.00 0.24 H new ATOM 0 HA ASP A 76 124.600 -4.097 7.523 1.00 0.23 H new ATOM 0 HB2 ASP A 76 123.272 -3.251 4.909 1.00 0.21 H new ATOM 0 HB3 ASP A 76 123.939 -4.851 5.167 1.00 0.21 H new ATOM 1202 N CYS A 77 126.056 -2.177 5.285 1.00 0.19 N ATOM 1203 CA CYS A 77 127.377 -1.965 4.641 1.00 0.18 C ATOM 1204 C CYS A 77 128.426 -1.640 5.709 1.00 0.20 C ATOM 1205 O CYS A 77 129.550 -2.091 5.639 1.00 0.19 O ATOM 1206 CB CYS A 77 127.276 -0.797 3.661 1.00 0.18 C ATOM 1207 SG CYS A 77 126.265 -1.289 2.245 1.00 0.17 S ATOM 0 H CYS A 77 125.361 -1.452 5.108 1.00 0.19 H new ATOM 0 HA CYS A 77 127.671 -2.870 4.110 1.00 0.18 H new ATOM 0 HB2 CYS A 77 126.834 0.069 4.154 1.00 0.18 H new ATOM 0 HB3 CYS A 77 128.270 -0.501 3.327 1.00 0.18 H new ATOM 0 HG CYS A 77 126.331 -2.578 2.092 1.00 0.17 H new ATOM 1213 N PHE A 78 128.082 -0.854 6.693 1.00 0.22 N ATOM 1214 CA PHE A 78 129.092 -0.511 7.733 1.00 0.24 C ATOM 1215 C PHE A 78 129.583 -1.785 8.416 1.00 0.26 C ATOM 1216 O PHE A 78 130.754 -2.109 8.381 1.00 0.26 O ATOM 1217 CB PHE A 78 128.453 0.416 8.771 1.00 0.27 C ATOM 1218 CG PHE A 78 129.466 0.761 9.835 1.00 0.29 C ATOM 1219 CD1 PHE A 78 130.291 1.892 9.682 1.00 0.30 C ATOM 1220 CD2 PHE A 78 129.580 -0.043 10.986 1.00 0.32 C ATOM 1221 CE1 PHE A 78 131.232 2.217 10.677 1.00 0.33 C ATOM 1222 CE2 PHE A 78 130.522 0.282 11.982 1.00 0.36 C ATOM 1223 CZ PHE A 78 131.348 1.412 11.827 1.00 0.35 C ATOM 0 H PHE A 78 127.159 -0.440 6.821 1.00 0.22 H new ATOM 0 HA PHE A 78 129.939 -0.008 7.266 1.00 0.24 H new ATOM 0 HB2 PHE A 78 128.093 1.325 8.289 1.00 0.27 H new ATOM 0 HB3 PHE A 78 127.588 -0.069 9.222 1.00 0.27 H new ATOM 0 HD1 PHE A 78 130.202 2.510 8.801 1.00 0.30 H new ATOM 0 HD2 PHE A 78 128.945 -0.909 11.105 1.00 0.32 H new ATOM 0 HE1 PHE A 78 131.865 3.084 10.559 1.00 0.33 H new ATOM 0 HE2 PHE A 78 130.611 -0.335 12.864 1.00 0.36 H new ATOM 0 HZ PHE A 78 132.071 1.661 12.590 1.00 0.35 H new ATOM 1233 N GLY A 79 128.700 -2.503 9.048 1.00 0.27 N ATOM 1234 CA GLY A 79 129.111 -3.751 9.746 1.00 0.29 C ATOM 1235 C GLY A 79 129.639 -4.778 8.740 1.00 0.26 C ATOM 1236 O GLY A 79 130.541 -5.532 9.027 1.00 0.27 O ATOM 0 H GLY A 79 127.707 -2.279 9.112 1.00 0.27 H new ATOM 0 HA2 GLY A 79 129.882 -3.526 10.483 1.00 0.29 H new ATOM 0 HA3 GLY A 79 128.263 -4.168 10.289 1.00 0.29 H new ATOM 1240 N CYS A 80 129.100 -4.807 7.558 1.00 0.23 N ATOM 1241 CA CYS A 80 129.598 -5.791 6.556 1.00 0.22 C ATOM 1242 C CYS A 80 131.008 -5.411 6.109 1.00 0.20 C ATOM 1243 O CYS A 80 131.905 -6.230 6.099 1.00 0.22 O ATOM 1244 CB CYS A 80 128.664 -5.811 5.350 1.00 0.22 C ATOM 1245 SG CYS A 80 129.310 -6.952 4.103 1.00 0.25 S ATOM 0 H CYS A 80 128.344 -4.200 7.241 1.00 0.23 H new ATOM 0 HA CYS A 80 129.624 -6.782 7.010 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.664 -6.119 5.656 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.574 -4.809 4.930 1.00 0.22 H new ATOM 0 HG CYS A 80 129.339 -6.359 2.946 1.00 0.25 H new ATOM 1251 N LEU A 81 131.226 -4.174 5.762 1.00 0.20 N ATOM 1252 CA LEU A 81 132.599 -3.774 5.349 1.00 0.21 C ATOM 1253 C LEU A 81 133.510 -3.793 6.577 1.00 0.23 C ATOM 1254 O LEU A 81 134.655 -4.192 6.507 1.00 0.24 O ATOM 1255 CB LEU A 81 132.568 -2.350 4.788 1.00 0.24 C ATOM 1256 CG LEU A 81 131.685 -2.294 3.530 1.00 0.23 C ATOM 1257 CD1 LEU A 81 131.463 -0.828 3.116 1.00 0.42 C ATOM 1258 CD2 LEU A 81 132.357 -3.062 2.375 1.00 0.38 C ATOM 0 H LEU A 81 130.525 -3.433 5.746 1.00 0.20 H new ATOM 0 HA LEU A 81 132.968 -4.464 4.590 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.184 -1.663 5.542 1.00 0.24 H new ATOM 0 HB3 LEU A 81 133.580 -2.025 4.546 1.00 0.24 H new ATOM 0 HG LEU A 81 130.724 -2.758 3.752 1.00 0.23 H new ATOM 0 HD11 LEU A 81 130.837 -0.793 2.224 1.00 0.42 H new ATOM 0 HD12 LEU A 81 130.970 -0.292 3.927 1.00 0.42 H new ATOM 0 HD13 LEU A 81 132.424 -0.360 2.903 1.00 0.42 H new ATOM 0 HD21 LEU A 81 131.723 -3.016 1.490 1.00 0.38 H new ATOM 0 HD22 LEU A 81 133.324 -2.611 2.153 1.00 0.38 H new ATOM 0 HD23 LEU A 81 132.500 -4.103 2.665 1.00 0.38 H new ATOM 1270 N ARG A 82 133.014 -3.341 7.698 1.00 0.24 N ATOM 1271 CA ARG A 82 133.857 -3.308 8.923 1.00 0.28 C ATOM 1272 C ARG A 82 134.221 -4.722 9.376 1.00 0.28 C ATOM 1273 O ARG A 82 135.333 -4.972 9.799 1.00 0.29 O ATOM 1274 CB ARG A 82 133.123 -2.583 10.052 1.00 0.31 C ATOM 1275 CG ARG A 82 134.053 -2.506 11.264 1.00 0.43 C ATOM 1276 CD ARG A 82 133.408 -1.711 12.385 1.00 0.94 C ATOM 1277 NE ARG A 82 134.478 -1.530 13.423 1.00 1.34 N ATOM 1278 CZ ARG A 82 134.224 -1.509 14.692 1.00 1.96 C ATOM 1279 NH1 ARG A 82 133.008 -1.706 15.121 1.00 2.58 N ATOM 1280 NH2 ARG A 82 135.194 -1.314 15.541 1.00 2.55 N ATOM 0 H ARG A 82 132.062 -2.994 7.816 1.00 0.24 H new ATOM 0 HA ARG A 82 134.775 -2.771 8.684 1.00 0.28 H new ATOM 0 HB2 ARG A 82 132.832 -1.582 9.733 1.00 0.31 H new ATOM 0 HB3 ARG A 82 132.207 -3.114 10.311 1.00 0.31 H new ATOM 0 HG2 ARG A 82 134.288 -3.512 11.613 1.00 0.43 H new ATOM 0 HG3 ARG A 82 134.996 -2.040 10.977 1.00 0.43 H new ATOM 0 HD2 ARG A 82 133.046 -0.748 12.024 1.00 0.94 H new ATOM 0 HD3 ARG A 82 132.549 -2.241 12.797 1.00 0.94 H new ATOM 0 HE ARG A 82 135.444 -1.419 13.116 1.00 1.34 H new ATOM 0 HH11 ARG A 82 132.254 -1.877 14.456 1.00 2.58 H new ATOM 0 HH12 ARG A 82 132.811 -1.689 16.122 1.00 2.58 H new ATOM 0 HH21 ARG A 82 136.147 -1.179 15.204 1.00 2.55 H new ATOM 0 HH22 ARG A 82 135.000 -1.296 16.542 1.00 2.55 H new ATOM 1294 N GLU A 83 133.310 -5.652 9.306 1.00 0.27 N ATOM 1295 CA GLU A 83 133.651 -7.030 9.754 1.00 0.28 C ATOM 1296 C GLU A 83 134.631 -7.655 8.764 1.00 0.26 C ATOM 1297 O GLU A 83 135.531 -8.372 9.155 1.00 0.28 O ATOM 1298 CB GLU A 83 132.387 -7.902 9.883 1.00 0.29 C ATOM 1299 CG GLU A 83 131.563 -7.501 11.144 1.00 0.33 C ATOM 1300 CD GLU A 83 131.004 -8.746 11.846 1.00 1.21 C ATOM 1301 OE1 GLU A 83 130.904 -9.777 11.202 1.00 2.07 O ATOM 1302 OE2 GLU A 83 130.687 -8.643 13.020 1.00 1.67 O ATOM 0 H GLU A 83 132.358 -5.521 8.963 1.00 0.27 H new ATOM 0 HA GLU A 83 134.115 -6.974 10.739 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.771 -7.791 8.991 1.00 0.29 H new ATOM 0 HB3 GLU A 83 132.670 -8.953 9.947 1.00 0.29 H new ATOM 0 HG2 GLU A 83 132.194 -6.941 11.834 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.744 -6.842 10.855 1.00 0.33 H new ATOM 1309 N TRP A 84 134.510 -7.370 7.493 1.00 0.24 N ATOM 1310 CA TRP A 84 135.487 -7.939 6.528 1.00 0.24 C ATOM 1311 C TRP A 84 136.870 -7.434 6.942 1.00 0.26 C ATOM 1312 O TRP A 84 137.834 -8.171 6.974 1.00 0.28 O ATOM 1313 CB TRP A 84 135.158 -7.459 5.107 1.00 0.24 C ATOM 1314 CG TRP A 84 136.102 -8.091 4.132 1.00 0.25 C ATOM 1315 CD1 TRP A 84 135.873 -9.254 3.469 1.00 0.29 C ATOM 1316 CD2 TRP A 84 137.417 -7.629 3.701 1.00 0.26 C ATOM 1317 NE1 TRP A 84 136.970 -9.543 2.673 1.00 0.30 N ATOM 1318 CE2 TRP A 84 137.945 -8.574 2.776 1.00 0.29 C ATOM 1319 CE3 TRP A 84 138.202 -6.494 4.018 1.00 0.26 C ATOM 1320 CZ2 TRP A 84 139.207 -8.402 2.189 1.00 0.31 C ATOM 1321 CZ3 TRP A 84 139.474 -6.318 3.428 1.00 0.30 C ATOM 1322 CH2 TRP A 84 139.973 -7.273 2.515 1.00 0.32 C ATOM 0 H TRP A 84 133.786 -6.776 7.089 1.00 0.24 H new ATOM 0 HA TRP A 84 135.452 -9.028 6.534 1.00 0.24 H new ATOM 0 HB2 TRP A 84 134.130 -7.718 4.854 1.00 0.24 H new ATOM 0 HB3 TRP A 84 135.236 -6.373 5.052 1.00 0.24 H new ATOM 0 HD1 TRP A 84 134.980 -9.856 3.549 1.00 0.29 H new ATOM 0 HE1 TRP A 84 137.047 -10.372 2.083 1.00 0.30 H new ATOM 0 HE3 TRP A 84 137.827 -5.759 4.714 1.00 0.26 H new ATOM 0 HZ2 TRP A 84 139.586 -9.134 1.491 1.00 0.31 H new ATOM 0 HZ3 TRP A 84 140.067 -5.450 3.676 1.00 0.30 H new ATOM 0 HH2 TRP A 84 140.946 -7.134 2.067 1.00 0.32 H new ATOM 1333 N CYS A 85 136.961 -6.172 7.269 1.00 0.28 N ATOM 1334 CA CYS A 85 138.265 -5.587 7.693 1.00 0.32 C ATOM 1335 C CYS A 85 138.764 -6.289 8.962 1.00 0.37 C ATOM 1336 O CYS A 85 139.934 -6.572 9.114 1.00 0.41 O ATOM 1337 CB CYS A 85 138.050 -4.096 7.983 1.00 0.34 C ATOM 1338 SG CYS A 85 137.927 -3.193 6.421 1.00 0.32 S ATOM 0 H CYS A 85 136.180 -5.516 7.260 1.00 0.28 H new ATOM 0 HA CYS A 85 139.007 -5.718 6.905 1.00 0.32 H new ATOM 0 HB2 CYS A 85 137.142 -3.955 8.570 1.00 0.34 H new ATOM 0 HB3 CYS A 85 138.877 -3.707 8.577 1.00 0.34 H new ATOM 0 HG CYS A 85 136.712 -3.275 5.967 1.00 0.32 H new ATOM 1344 N ASP A 86 137.883 -6.577 9.872 1.00 0.38 N ATOM 1345 CA ASP A 86 138.300 -7.260 11.128 1.00 0.46 C ATOM 1346 C ASP A 86 138.937 -8.616 10.810 1.00 0.48 C ATOM 1347 O ASP A 86 139.839 -9.064 11.490 1.00 0.49 O ATOM 1348 CB ASP A 86 137.078 -7.470 12.022 1.00 0.48 C ATOM 1349 CG ASP A 86 136.605 -6.119 12.562 1.00 0.49 C ATOM 1350 OD1 ASP A 86 137.422 -5.217 12.643 1.00 0.60 O ATOM 1351 OD2 ASP A 86 135.433 -6.010 12.883 1.00 0.52 O ATOM 0 H ASP A 86 136.887 -6.369 9.802 1.00 0.38 H new ATOM 0 HA ASP A 86 139.032 -6.638 11.642 1.00 0.46 H new ATOM 0 HB2 ASP A 86 136.278 -7.948 11.457 1.00 0.48 H new ATOM 0 HB3 ASP A 86 137.328 -8.137 12.847 1.00 0.48 H new ATOM 1356 N ALA A 87 138.463 -9.284 9.792 1.00 0.49 N ATOM 1357 CA ALA A 87 139.025 -10.627 9.443 1.00 0.52 C ATOM 1358 C ALA A 87 140.136 -10.483 8.394 1.00 0.52 C ATOM 1359 O ALA A 87 141.045 -11.287 8.324 1.00 0.56 O ATOM 1360 CB ALA A 87 137.883 -11.507 8.879 1.00 0.49 C ATOM 0 H ALA A 87 137.710 -8.959 9.185 1.00 0.49 H new ATOM 0 HA ALA A 87 139.451 -11.089 10.334 1.00 0.52 H new ATOM 0 HB1 ALA A 87 138.276 -12.490 8.619 1.00 0.49 H new ATOM 0 HB2 ALA A 87 137.102 -11.615 9.631 1.00 0.49 H new ATOM 0 HB3 ALA A 87 137.466 -11.036 7.989 1.00 0.49 H new ATOM 1366 N PHE A 88 140.019 -9.508 7.534 1.00 0.48 N ATOM 1367 CA PHE A 88 141.008 -9.338 6.424 1.00 0.49 C ATOM 1368 C PHE A 88 141.896 -8.094 6.608 1.00 0.57 C ATOM 1369 O PHE A 88 142.762 -7.829 5.797 1.00 1.23 O ATOM 1370 CB PHE A 88 140.203 -9.187 5.138 1.00 0.43 C ATOM 1371 CG PHE A 88 139.573 -10.511 4.747 1.00 0.38 C ATOM 1372 CD1 PHE A 88 140.364 -11.556 4.216 1.00 0.40 C ATOM 1373 CD2 PHE A 88 138.184 -10.690 4.879 1.00 0.33 C ATOM 1374 CE1 PHE A 88 139.768 -12.765 3.825 1.00 0.37 C ATOM 1375 CE2 PHE A 88 137.586 -11.901 4.478 1.00 0.31 C ATOM 1376 CZ PHE A 88 138.380 -12.936 3.951 1.00 0.33 C ATOM 0 H PHE A 88 139.273 -8.813 7.551 1.00 0.48 H new ATOM 0 HA PHE A 88 141.674 -10.201 6.405 1.00 0.49 H new ATOM 0 HB2 PHE A 88 139.427 -8.434 5.274 1.00 0.43 H new ATOM 0 HB3 PHE A 88 140.851 -8.835 4.335 1.00 0.43 H new ATOM 0 HD1 PHE A 88 141.431 -11.423 4.111 1.00 0.40 H new ATOM 0 HD2 PHE A 88 137.575 -9.898 5.288 1.00 0.33 H new ATOM 0 HE1 PHE A 88 140.377 -13.564 3.427 1.00 0.37 H new ATOM 0 HE2 PHE A 88 136.519 -12.035 4.575 1.00 0.31 H new ATOM 0 HZ PHE A 88 137.921 -13.864 3.643 1.00 0.33 H new ATOM 1454 N SER B 4 163.152 -2.123 1.648 1.00 0.48 N ATOM 1455 CA SER B 4 163.592 -2.476 3.028 1.00 0.46 C ATOM 1456 C SER B 4 162.777 -3.669 3.541 1.00 0.46 C ATOM 1457 O SER B 4 161.749 -4.021 2.996 1.00 0.43 O ATOM 1458 CB SER B 4 163.383 -1.270 3.948 1.00 0.49 C ATOM 1459 OG SER B 4 164.216 -1.403 5.091 1.00 1.35 O ATOM 0 HA SER B 4 164.648 -2.746 3.017 1.00 0.46 H new ATOM 0 HB2 SER B 4 163.619 -0.348 3.417 1.00 0.49 H new ATOM 0 HB3 SER B 4 162.338 -1.205 4.251 1.00 0.49 H new ATOM 0 HG SER B 4 164.086 -0.632 5.682 1.00 1.35 H new ATOM 1465 N GLN B 5 163.246 -4.294 4.591 1.00 0.52 N ATOM 1466 CA GLN B 5 162.531 -5.473 5.169 1.00 0.55 C ATOM 1467 C GLN B 5 161.063 -5.116 5.413 1.00 0.51 C ATOM 1468 O GLN B 5 160.216 -5.979 5.535 1.00 0.51 O ATOM 1469 CB GLN B 5 163.190 -5.843 6.517 1.00 0.64 C ATOM 1470 CG GLN B 5 164.224 -6.957 6.336 1.00 1.43 C ATOM 1471 CD GLN B 5 164.956 -7.169 7.663 1.00 1.81 C ATOM 1472 OE1 GLN B 5 165.198 -6.227 8.391 1.00 2.14 O ATOM 1473 NE2 GLN B 5 165.313 -8.373 8.016 1.00 2.37 N ATOM 0 H GLN B 5 164.104 -4.035 5.078 1.00 0.52 H new ATOM 0 HA GLN B 5 162.590 -6.313 4.477 1.00 0.55 H new ATOM 0 HB2 GLN B 5 163.670 -4.963 6.945 1.00 0.64 H new ATOM 0 HB3 GLN B 5 162.425 -6.164 7.224 1.00 0.64 H new ATOM 0 HG2 GLN B 5 163.735 -7.879 6.023 1.00 1.43 H new ATOM 0 HG3 GLN B 5 164.933 -6.691 5.552 1.00 1.43 H new ATOM 0 HE21 GLN B 5 165.110 -9.165 7.406 1.00 2.37 H new ATOM 0 HE22 GLN B 5 165.795 -8.523 8.902 1.00 2.37 H new ATOM 1482 N LYS B 6 160.762 -3.857 5.512 1.00 0.48 N ATOM 1483 CA LYS B 6 159.362 -3.444 5.780 1.00 0.46 C ATOM 1484 C LYS B 6 158.455 -3.917 4.646 1.00 0.41 C ATOM 1485 O LYS B 6 157.331 -4.317 4.870 1.00 0.41 O ATOM 1486 CB LYS B 6 159.317 -1.927 5.912 1.00 0.47 C ATOM 1487 CG LYS B 6 160.113 -1.542 7.158 1.00 0.55 C ATOM 1488 CD LYS B 6 160.106 -0.028 7.347 1.00 0.96 C ATOM 1489 CE LYS B 6 160.910 0.317 8.601 1.00 1.33 C ATOM 1490 NZ LYS B 6 160.693 1.746 8.956 1.00 2.06 N ATOM 0 H LYS B 6 161.429 -3.091 5.418 1.00 0.48 H new ATOM 0 HA LYS B 6 159.008 -3.896 6.707 1.00 0.46 H new ATOM 0 HB2 LYS B 6 159.741 -1.454 5.026 1.00 0.47 H new ATOM 0 HB3 LYS B 6 158.287 -1.581 5.995 1.00 0.47 H new ATOM 0 HG2 LYS B 6 159.684 -2.026 8.035 1.00 0.55 H new ATOM 0 HG3 LYS B 6 161.139 -1.899 7.067 1.00 0.55 H new ATOM 0 HD2 LYS B 6 160.538 0.463 6.475 1.00 0.96 H new ATOM 0 HD3 LYS B 6 159.083 0.335 7.443 1.00 0.96 H new ATOM 0 HE2 LYS B 6 160.605 -0.324 9.428 1.00 1.33 H new ATOM 0 HE3 LYS B 6 161.970 0.132 8.428 1.00 1.33 H new ATOM 0 HZ1 LYS B 6 161.241 1.979 9.809 1.00 2.06 H new ATOM 0 HZ2 LYS B 6 161.004 2.350 8.169 1.00 2.06 H new ATOM 0 HZ3 LYS B 6 159.682 1.909 9.138 1.00 2.06 H new ATOM 1504 N HIS B 7 158.924 -3.881 3.435 1.00 0.38 N ATOM 1505 CA HIS B 7 158.070 -4.333 2.305 1.00 0.36 C ATOM 1506 C HIS B 7 157.673 -5.800 2.501 1.00 0.37 C ATOM 1507 O HIS B 7 156.512 -6.146 2.415 1.00 0.35 O ATOM 1508 CB HIS B 7 158.841 -4.155 0.994 1.00 0.37 C ATOM 1509 CG HIS B 7 158.122 -4.831 -0.145 1.00 0.35 C ATOM 1510 ND1 HIS B 7 157.306 -4.135 -1.027 1.00 0.32 N ATOM 1511 CD2 HIS B 7 158.109 -6.136 -0.573 1.00 0.43 C ATOM 1512 CE1 HIS B 7 156.845 -5.016 -1.935 1.00 0.34 C ATOM 1513 NE2 HIS B 7 157.304 -6.246 -1.701 1.00 0.42 N ATOM 0 H HIS B 7 159.857 -3.560 3.178 1.00 0.38 H new ATOM 0 HA HIS B 7 157.159 -3.735 2.270 1.00 0.36 H new ATOM 0 HB2 HIS B 7 158.958 -3.093 0.777 1.00 0.37 H new ATOM 0 HB3 HIS B 7 159.843 -4.572 1.096 1.00 0.37 H new ATOM 0 HD2 HIS B 7 158.642 -6.951 -0.105 1.00 0.43 H new ATOM 0 HE1 HIS B 7 156.186 -4.759 -2.751 1.00 0.34 H new ATOM 0 HE2 HIS B 7 157.106 -7.091 -2.237 1.00 0.42 H new ATOM 1521 N ARG B 8 158.623 -6.670 2.774 1.00 0.41 N ATOM 1522 CA ARG B 8 158.299 -8.113 2.982 1.00 0.44 C ATOM 1523 C ARG B 8 157.541 -8.300 4.294 1.00 0.44 C ATOM 1524 O ARG B 8 156.655 -9.123 4.401 1.00 0.45 O ATOM 1525 CB ARG B 8 159.590 -8.928 3.079 1.00 0.49 C ATOM 1526 CG ARG B 8 160.299 -9.002 1.725 1.00 0.53 C ATOM 1527 CD ARG B 8 161.477 -9.967 1.854 1.00 1.08 C ATOM 1528 NE ARG B 8 162.451 -9.721 0.741 1.00 1.74 N ATOM 1529 CZ ARG B 8 162.223 -10.110 -0.476 1.00 2.37 C ATOM 1530 NH1 ARG B 8 161.162 -10.817 -0.755 1.00 2.67 N ATOM 1531 NH2 ARG B 8 163.079 -9.819 -1.417 1.00 3.30 N ATOM 0 H ARG B 8 159.612 -6.436 2.861 1.00 0.41 H new ATOM 0 HA ARG B 8 157.693 -8.447 2.140 1.00 0.44 H new ATOM 0 HB2 ARG B 8 160.254 -8.477 3.816 1.00 0.49 H new ATOM 0 HB3 ARG B 8 159.362 -9.935 3.429 1.00 0.49 H new ATOM 0 HG2 ARG B 8 159.610 -9.345 0.953 1.00 0.53 H new ATOM 0 HG3 ARG B 8 160.648 -8.014 1.424 1.00 0.53 H new ATOM 0 HD2 ARG B 8 161.968 -9.831 2.818 1.00 1.08 H new ATOM 0 HD3 ARG B 8 161.122 -10.997 1.820 1.00 1.08 H new ATOM 0 HE ARG B 8 163.322 -9.232 0.947 1.00 1.74 H new ATOM 0 HH11 ARG B 8 160.506 -11.067 -0.015 1.00 2.67 H new ATOM 0 HH12 ARG B 8 160.988 -11.120 -1.713 1.00 2.67 H new ATOM 0 HH21 ARG B 8 163.921 -9.289 -1.194 1.00 3.30 H new ATOM 0 HH22 ARG B 8 162.906 -10.122 -2.375 1.00 3.30 H new ATOM 1545 N ASP B 9 157.892 -7.549 5.297 1.00 0.46 N ATOM 1546 CA ASP B 9 157.206 -7.692 6.608 1.00 0.48 C ATOM 1547 C ASP B 9 155.771 -7.212 6.463 1.00 0.41 C ATOM 1548 O ASP B 9 154.850 -7.772 7.019 1.00 0.41 O ATOM 1549 CB ASP B 9 157.918 -6.850 7.664 1.00 0.54 C ATOM 1550 CG ASP B 9 159.279 -7.470 7.982 1.00 0.62 C ATOM 1551 OD1 ASP B 9 159.454 -8.643 7.698 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.125 -6.760 8.501 1.00 0.67 O ATOM 0 H ASP B 9 158.626 -6.841 5.266 1.00 0.46 H new ATOM 0 HA ASP B 9 157.224 -8.737 6.918 1.00 0.48 H new ATOM 0 HB2 ASP B 9 158.047 -5.829 7.304 1.00 0.54 H new ATOM 0 HB3 ASP B 9 157.312 -6.794 8.568 1.00 0.54 H new ATOM 1557 N PHE B 10 155.581 -6.168 5.718 1.00 0.37 N ATOM 1558 CA PHE B 10 154.215 -5.629 5.526 1.00 0.33 C ATOM 1559 C PHE B 10 153.338 -6.661 4.804 1.00 0.28 C ATOM 1560 O PHE B 10 152.240 -6.958 5.231 1.00 0.28 O ATOM 1561 CB PHE B 10 154.332 -4.360 4.690 1.00 0.32 C ATOM 1562 CG PHE B 10 153.019 -3.636 4.662 1.00 0.31 C ATOM 1563 CD1 PHE B 10 152.679 -2.768 5.714 1.00 0.33 C ATOM 1564 CD2 PHE B 10 152.146 -3.804 3.572 1.00 0.33 C ATOM 1565 CE1 PHE B 10 151.465 -2.066 5.675 1.00 0.34 C ATOM 1566 CE2 PHE B 10 150.930 -3.105 3.535 1.00 0.34 C ATOM 1567 CZ PHE B 10 150.593 -2.235 4.584 1.00 0.33 C ATOM 0 H PHE B 10 156.319 -5.661 5.230 1.00 0.37 H new ATOM 0 HA PHE B 10 153.752 -5.409 6.488 1.00 0.33 H new ATOM 0 HB2 PHE B 10 155.104 -3.712 5.105 1.00 0.32 H new ATOM 0 HB3 PHE B 10 154.639 -4.611 3.675 1.00 0.32 H new ATOM 0 HD1 PHE B 10 153.351 -2.642 6.550 1.00 0.33 H new ATOM 0 HD2 PHE B 10 152.411 -4.470 2.764 1.00 0.33 H new ATOM 0 HE1 PHE B 10 151.200 -1.397 6.481 1.00 0.34 H new ATOM 0 HE2 PHE B 10 150.255 -3.236 2.702 1.00 0.34 H new ATOM 0 HZ PHE B 10 149.660 -1.693 4.553 1.00 0.33 H new ATOM 1577 N VAL B 11 153.808 -7.205 3.709 1.00 0.28 N ATOM 1578 CA VAL B 11 152.990 -8.208 2.961 1.00 0.27 C ATOM 1579 C VAL B 11 153.145 -9.606 3.582 1.00 0.32 C ATOM 1580 O VAL B 11 152.711 -10.589 3.016 1.00 0.32 O ATOM 1581 CB VAL B 11 153.442 -8.270 1.502 1.00 0.28 C ATOM 1582 CG1 VAL B 11 153.314 -6.881 0.842 1.00 0.27 C ATOM 1583 CG2 VAL B 11 154.892 -8.749 1.452 1.00 0.34 C ATOM 0 H VAL B 11 154.720 -6.999 3.302 1.00 0.28 H new ATOM 0 HA VAL B 11 151.946 -7.900 3.016 1.00 0.27 H new ATOM 0 HB VAL B 11 152.808 -8.967 0.953 1.00 0.28 H new ATOM 0 HG11 VAL B 11 153.639 -6.940 -0.197 1.00 0.27 H new ATOM 0 HG12 VAL B 11 152.274 -6.555 0.879 1.00 0.27 H new ATOM 0 HG13 VAL B 11 153.938 -6.165 1.377 1.00 0.27 H new ATOM 0 HG21 VAL B 11 155.224 -8.797 0.415 1.00 0.34 H new ATOM 0 HG22 VAL B 11 155.524 -8.053 2.004 1.00 0.34 H new ATOM 0 HG23 VAL B 11 154.964 -9.739 1.902 1.00 0.34 H new ATOM 1593 N ALA B 12 153.754 -9.704 4.741 1.00 0.37 N ATOM 1594 CA ALA B 12 153.932 -11.042 5.404 1.00 0.44 C ATOM 1595 C ALA B 12 152.984 -11.170 6.598 1.00 0.41 C ATOM 1596 O ALA B 12 152.757 -12.250 7.107 1.00 0.44 O ATOM 1597 CB ALA B 12 155.369 -11.184 5.899 1.00 0.47 C ATOM 0 H ALA B 12 154.137 -8.914 5.260 1.00 0.37 H new ATOM 0 HA ALA B 12 153.709 -11.823 4.677 1.00 0.44 H new ATOM 0 HB1 ALA B 12 155.494 -12.155 6.379 1.00 0.47 H new ATOM 0 HB2 ALA B 12 156.054 -11.105 5.055 1.00 0.47 H new ATOM 0 HB3 ALA B 12 155.586 -10.393 6.617 1.00 0.47 H new ATOM 1603 N GLU B 13 152.421 -10.081 7.046 1.00 0.37 N ATOM 1604 CA GLU B 13 151.480 -10.142 8.203 1.00 0.38 C ATOM 1605 C GLU B 13 150.501 -8.962 8.106 1.00 0.36 C ATOM 1606 O GLU B 13 150.842 -7.926 7.572 1.00 0.34 O ATOM 1607 CB GLU B 13 152.273 -10.051 9.512 1.00 0.39 C ATOM 1608 CG GLU B 13 153.254 -8.882 9.434 1.00 0.50 C ATOM 1609 CD GLU B 13 153.857 -8.626 10.816 1.00 0.69 C ATOM 1610 OE1 GLU B 13 153.765 -9.509 11.653 1.00 1.22 O ATOM 1611 OE2 GLU B 13 154.403 -7.553 11.013 1.00 1.27 O ATOM 0 H GLU B 13 152.572 -9.149 6.660 1.00 0.37 H new ATOM 0 HA GLU B 13 150.928 -11.082 8.186 1.00 0.38 H new ATOM 0 HB2 GLU B 13 151.593 -9.913 10.353 1.00 0.39 H new ATOM 0 HB3 GLU B 13 152.813 -10.981 9.688 1.00 0.39 H new ATOM 0 HG2 GLU B 13 154.044 -9.104 8.717 1.00 0.50 H new ATOM 0 HG3 GLU B 13 152.742 -7.988 9.078 1.00 0.50 H new ATOM 1618 N PRO B 14 149.299 -9.098 8.615 1.00 0.39 N ATOM 1619 CA PRO B 14 148.293 -7.999 8.568 1.00 0.40 C ATOM 1620 C PRO B 14 148.927 -6.625 8.833 1.00 0.39 C ATOM 1621 O PRO B 14 150.004 -6.526 9.386 1.00 0.36 O ATOM 1622 CB PRO B 14 147.315 -8.373 9.687 1.00 0.43 C ATOM 1623 CG PRO B 14 147.355 -9.871 9.755 1.00 0.45 C ATOM 1624 CD PRO B 14 148.757 -10.299 9.286 1.00 0.44 C ATOM 0 HA PRO B 14 147.822 -7.908 7.589 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.612 -7.927 10.636 1.00 0.43 H new ATOM 0 HB3 PRO B 14 146.309 -8.015 9.468 1.00 0.43 H new ATOM 0 HG2 PRO B 14 147.165 -10.217 10.771 1.00 0.45 H new ATOM 0 HG3 PRO B 14 146.585 -10.308 9.120 1.00 0.45 H new ATOM 0 HD2 PRO B 14 149.382 -10.602 10.126 1.00 0.44 H new ATOM 0 HD3 PRO B 14 148.707 -11.148 8.604 1.00 0.44 H new ATOM 1632 N MET B 15 148.268 -5.568 8.437 1.00 0.44 N ATOM 1633 CA MET B 15 148.833 -4.202 8.660 1.00 0.46 C ATOM 1634 C MET B 15 148.381 -3.680 10.026 1.00 0.46 C ATOM 1635 O MET B 15 149.020 -2.840 10.626 1.00 0.47 O ATOM 1636 CB MET B 15 148.287 -3.233 7.600 1.00 0.55 C ATOM 1637 CG MET B 15 146.785 -3.493 7.405 1.00 0.54 C ATOM 1638 SD MET B 15 145.963 -1.987 6.820 1.00 1.09 S ATOM 1639 CE MET B 15 146.851 -1.758 5.268 1.00 0.69 C ATOM 0 H MET B 15 147.362 -5.590 7.968 1.00 0.44 H new ATOM 0 HA MET B 15 149.920 -4.263 8.604 1.00 0.46 H new ATOM 0 HB2 MET B 15 148.452 -2.202 7.913 1.00 0.55 H new ATOM 0 HB3 MET B 15 148.817 -3.369 6.658 1.00 0.55 H new ATOM 0 HG2 MET B 15 146.638 -4.299 6.687 1.00 0.54 H new ATOM 0 HG3 MET B 15 146.339 -3.818 8.345 1.00 0.54 H new ATOM 0 HE1 MET B 15 146.304 -1.058 4.636 1.00 0.69 H new ATOM 0 HE2 MET B 15 147.845 -1.361 5.473 1.00 0.69 H new ATOM 0 HE3 MET B 15 146.941 -2.716 4.756 1.00 0.69 H new ATOM 1649 N GLY B 16 147.262 -4.149 10.498 1.00 0.47 N ATOM 1650 CA GLY B 16 146.740 -3.659 11.803 1.00 0.51 C ATOM 1651 C GLY B 16 146.591 -2.134 11.732 1.00 0.52 C ATOM 1652 O GLY B 16 146.131 -1.593 10.746 1.00 0.53 O ATOM 0 H GLY B 16 146.685 -4.852 10.036 1.00 0.47 H new ATOM 0 HA2 GLY B 16 145.778 -4.123 12.023 1.00 0.51 H new ATOM 0 HA3 GLY B 16 147.419 -3.935 12.609 1.00 0.51 H new ATOM 1656 N GLU B 17 146.964 -1.440 12.779 1.00 0.53 N ATOM 1657 CA GLU B 17 146.839 0.056 12.804 1.00 0.54 C ATOM 1658 C GLU B 17 148.233 0.689 12.764 1.00 0.49 C ATOM 1659 O GLU B 17 148.483 1.701 13.387 1.00 0.47 O ATOM 1660 CB GLU B 17 146.137 0.477 14.095 1.00 0.61 C ATOM 1661 CG GLU B 17 144.669 0.053 14.039 1.00 0.69 C ATOM 1662 CD GLU B 17 143.970 0.475 15.332 1.00 0.77 C ATOM 1663 OE1 GLU B 17 144.662 0.883 16.250 1.00 1.04 O ATOM 1664 OE2 GLU B 17 142.755 0.382 15.384 1.00 1.08 O ATOM 0 H GLU B 17 147.354 -1.848 13.628 1.00 0.53 H new ATOM 0 HA GLU B 17 146.263 0.388 11.940 1.00 0.54 H new ATOM 0 HB2 GLU B 17 146.627 0.018 14.954 1.00 0.61 H new ATOM 0 HB3 GLU B 17 146.210 1.557 14.226 1.00 0.61 H new ATOM 0 HG2 GLU B 17 144.179 0.512 13.181 1.00 0.69 H new ATOM 0 HG3 GLU B 17 144.595 -1.027 13.908 1.00 0.69 H new ATOM 1671 N LYS B 18 149.145 0.089 12.053 1.00 0.48 N ATOM 1672 CA LYS B 18 150.528 0.642 11.995 1.00 0.43 C ATOM 1673 C LYS B 18 150.500 2.053 11.380 1.00 0.34 C ATOM 1674 O LYS B 18 149.641 2.365 10.579 1.00 0.32 O ATOM 1675 CB LYS B 18 151.394 -0.297 11.150 1.00 0.45 C ATOM 1676 CG LYS B 18 151.616 -1.588 11.940 1.00 0.53 C ATOM 1677 CD LYS B 18 152.527 -2.536 11.162 1.00 1.24 C ATOM 1678 CE LYS B 18 152.753 -3.801 11.993 1.00 1.47 C ATOM 1679 NZ LYS B 18 153.871 -4.592 11.408 1.00 2.19 N ATOM 0 H LYS B 18 148.994 -0.761 11.509 1.00 0.48 H new ATOM 0 HA LYS B 18 150.947 0.716 12.999 1.00 0.43 H new ATOM 0 HB2 LYS B 18 150.905 -0.513 10.200 1.00 0.45 H new ATOM 0 HB3 LYS B 18 152.349 0.174 10.917 1.00 0.45 H new ATOM 0 HG2 LYS B 18 152.061 -1.358 12.908 1.00 0.53 H new ATOM 0 HG3 LYS B 18 150.659 -2.072 12.136 1.00 0.53 H new ATOM 0 HD2 LYS B 18 152.075 -2.791 10.203 1.00 1.24 H new ATOM 0 HD3 LYS B 18 153.479 -2.051 10.947 1.00 1.24 H new ATOM 0 HE2 LYS B 18 152.984 -3.534 13.024 1.00 1.47 H new ATOM 0 HE3 LYS B 18 151.843 -4.401 12.015 1.00 1.47 H new ATOM 0 HZ1 LYS B 18 153.637 -5.605 11.447 1.00 2.19 H new ATOM 0 HZ2 LYS B 18 154.016 -4.308 10.418 1.00 2.19 H new ATOM 0 HZ3 LYS B 18 154.741 -4.416 11.950 1.00 2.19 H new ATOM 1693 N PRO B 19 151.419 2.913 11.773 1.00 0.31 N ATOM 1694 CA PRO B 19 151.475 4.324 11.271 1.00 0.25 C ATOM 1695 C PRO B 19 151.719 4.406 9.762 1.00 0.21 C ATOM 1696 O PRO B 19 152.314 3.532 9.163 1.00 0.24 O ATOM 1697 CB PRO B 19 152.644 4.955 12.056 1.00 0.28 C ATOM 1698 CG PRO B 19 153.478 3.800 12.508 1.00 0.34 C ATOM 1699 CD PRO B 19 152.505 2.646 12.736 1.00 0.37 C ATOM 0 HA PRO B 19 150.527 4.840 11.424 1.00 0.25 H new ATOM 0 HB2 PRO B 19 153.219 5.635 11.428 1.00 0.28 H new ATOM 0 HB3 PRO B 19 152.281 5.535 12.904 1.00 0.28 H new ATOM 0 HG2 PRO B 19 154.224 3.539 11.757 1.00 0.34 H new ATOM 0 HG3 PRO B 19 154.018 4.042 13.423 1.00 0.34 H new ATOM 0 HD2 PRO B 19 152.977 1.681 12.551 1.00 0.37 H new ATOM 0 HD3 PRO B 19 152.136 2.629 13.762 1.00 0.37 H new ATOM 1707 N VAL B 20 151.249 5.457 9.149 1.00 0.18 N ATOM 1708 CA VAL B 20 151.429 5.615 7.683 1.00 0.19 C ATOM 1709 C VAL B 20 152.907 5.488 7.312 1.00 0.19 C ATOM 1710 O VAL B 20 153.259 4.863 6.332 1.00 0.27 O ATOM 1711 CB VAL B 20 150.901 6.985 7.252 1.00 0.22 C ATOM 1712 CG1 VAL B 20 151.652 8.099 7.996 1.00 0.27 C ATOM 1713 CG2 VAL B 20 151.090 7.140 5.739 1.00 0.30 C ATOM 0 H VAL B 20 150.745 6.217 9.606 1.00 0.18 H new ATOM 0 HA VAL B 20 150.873 4.831 7.169 1.00 0.19 H new ATOM 0 HB VAL B 20 149.842 7.061 7.497 1.00 0.22 H new ATOM 0 HG11 VAL B 20 151.268 9.069 7.681 1.00 0.27 H new ATOM 0 HG12 VAL B 20 151.506 7.982 9.070 1.00 0.27 H new ATOM 0 HG13 VAL B 20 152.716 8.038 7.765 1.00 0.27 H new ATOM 0 HG21 VAL B 20 150.716 8.114 5.424 1.00 0.30 H new ATOM 0 HG22 VAL B 20 152.149 7.061 5.495 1.00 0.30 H new ATOM 0 HG23 VAL B 20 150.539 6.355 5.221 1.00 0.30 H new ATOM 1723 N GLY B 21 153.776 6.091 8.083 1.00 0.19 N ATOM 1724 CA GLY B 21 155.232 6.025 7.775 1.00 0.19 C ATOM 1725 C GLY B 21 155.707 4.574 7.743 1.00 0.19 C ATOM 1726 O GLY B 21 156.854 4.299 7.454 1.00 0.19 O ATOM 0 H GLY B 21 153.536 6.628 8.916 1.00 0.19 H new ATOM 0 HA2 GLY B 21 155.428 6.499 6.813 1.00 0.19 H new ATOM 0 HA3 GLY B 21 155.794 6.581 8.525 1.00 0.19 H new ATOM 1730 N SER B 22 154.848 3.637 8.040 1.00 0.19 N ATOM 1731 CA SER B 22 155.272 2.208 8.025 1.00 0.21 C ATOM 1732 C SER B 22 155.205 1.656 6.597 1.00 0.19 C ATOM 1733 O SER B 22 155.857 0.684 6.271 1.00 0.21 O ATOM 1734 CB SER B 22 154.341 1.398 8.926 1.00 0.24 C ATOM 1735 OG SER B 22 154.753 0.038 8.924 1.00 1.39 O ATOM 0 H SER B 22 153.873 3.799 8.292 1.00 0.19 H new ATOM 0 HA SER B 22 156.297 2.133 8.388 1.00 0.21 H new ATOM 0 HB2 SER B 22 154.362 1.795 9.941 1.00 0.24 H new ATOM 0 HB3 SER B 22 153.313 1.479 8.573 1.00 0.24 H new ATOM 0 HG SER B 22 154.159 -0.485 9.502 1.00 1.39 H new ATOM 1741 N LEU B 23 154.419 2.256 5.743 1.00 0.18 N ATOM 1742 CA LEU B 23 154.316 1.742 4.346 1.00 0.17 C ATOM 1743 C LEU B 23 155.665 1.886 3.642 1.00 0.17 C ATOM 1744 O LEU B 23 156.350 2.880 3.775 1.00 0.17 O ATOM 1745 CB LEU B 23 153.259 2.539 3.576 1.00 0.17 C ATOM 1746 CG LEU B 23 151.876 2.312 4.202 1.00 0.18 C ATOM 1747 CD1 LEU B 23 150.898 3.344 3.633 1.00 0.22 C ATOM 1748 CD2 LEU B 23 151.360 0.872 3.905 1.00 0.21 C ATOM 0 H LEU B 23 153.847 3.075 5.950 1.00 0.18 H new ATOM 0 HA LEU B 23 154.029 0.691 4.376 1.00 0.17 H new ATOM 0 HB2 LEU B 23 153.506 3.600 3.594 1.00 0.17 H new ATOM 0 HB3 LEU B 23 153.249 2.232 2.530 1.00 0.17 H new ATOM 0 HG LEU B 23 151.953 2.426 5.283 1.00 0.18 H new ATOM 0 HD11 LEU B 23 149.912 3.191 4.072 1.00 0.22 H new ATOM 0 HD12 LEU B 23 151.249 4.348 3.871 1.00 0.22 H new ATOM 0 HD13 LEU B 23 150.836 3.228 2.551 1.00 0.22 H new ATOM 0 HD21 LEU B 23 150.378 0.736 4.359 1.00 0.21 H new ATOM 0 HD22 LEU B 23 151.284 0.728 2.827 1.00 0.21 H new ATOM 0 HD23 LEU B 23 152.056 0.143 4.320 1.00 0.21 H new ATOM 1760 N ALA B 24 156.040 0.896 2.886 1.00 0.18 N ATOM 1761 CA ALA B 24 157.338 0.968 2.162 1.00 0.19 C ATOM 1762 C ALA B 24 157.288 2.095 1.124 1.00 0.19 C ATOM 1763 O ALA B 24 156.323 2.256 0.405 1.00 0.20 O ATOM 1764 CB ALA B 24 157.610 -0.368 1.464 1.00 0.21 C ATOM 0 H ALA B 24 155.505 0.040 2.737 1.00 0.18 H new ATOM 0 HA ALA B 24 158.138 1.172 2.873 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.561 -0.315 0.934 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.653 -1.165 2.207 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.810 -0.577 0.754 1.00 0.21 H new ATOM 1770 N GLY B 25 158.331 2.875 1.054 1.00 0.18 N ATOM 1771 CA GLY B 25 158.371 4.005 0.073 1.00 0.19 C ATOM 1772 C GLY B 25 157.964 5.301 0.776 1.00 0.17 C ATOM 1773 O GLY B 25 158.294 6.385 0.336 1.00 0.18 O ATOM 0 H GLY B 25 159.164 2.781 1.636 1.00 0.18 H new ATOM 0 HA2 GLY B 25 159.373 4.104 -0.344 1.00 0.19 H new ATOM 0 HA3 GLY B 25 157.697 3.803 -0.760 1.00 0.19 H new ATOM 1777 N ILE B 26 157.261 5.199 1.875 1.00 0.16 N ATOM 1778 CA ILE B 26 156.842 6.425 2.622 1.00 0.16 C ATOM 1779 C ILE B 26 157.825 6.631 3.772 1.00 0.16 C ATOM 1780 O ILE B 26 157.883 5.833 4.686 1.00 0.17 O ATOM 1781 CB ILE B 26 155.429 6.229 3.185 1.00 0.17 C ATOM 1782 CG1 ILE B 26 154.475 5.789 2.056 1.00 0.19 C ATOM 1783 CG2 ILE B 26 154.931 7.536 3.831 1.00 0.19 C ATOM 1784 CD1 ILE B 26 154.521 6.772 0.877 1.00 0.20 C ATOM 0 H ILE B 26 156.958 4.317 2.289 1.00 0.16 H new ATOM 0 HA ILE B 26 156.839 7.291 1.960 1.00 0.16 H new ATOM 0 HB ILE B 26 155.452 5.452 3.949 1.00 0.17 H new ATOM 0 HG12 ILE B 26 154.749 4.792 1.712 1.00 0.19 H new ATOM 0 HG13 ILE B 26 153.457 5.725 2.440 1.00 0.19 H new ATOM 0 HG21 ILE B 26 153.927 7.386 4.228 1.00 0.19 H new ATOM 0 HG22 ILE B 26 155.603 7.820 4.641 1.00 0.19 H new ATOM 0 HG23 ILE B 26 154.911 8.327 3.082 1.00 0.19 H new ATOM 0 HD11 ILE B 26 153.838 6.436 0.096 1.00 0.20 H new ATOM 0 HD12 ILE B 26 154.223 7.763 1.218 1.00 0.20 H new ATOM 0 HD13 ILE B 26 155.535 6.815 0.479 1.00 0.20 H new ATOM 1796 N GLY B 27 158.607 7.681 3.753 1.00 0.17 N ATOM 1797 CA GLY B 27 159.577 7.901 4.865 1.00 0.18 C ATOM 1798 C GLY B 27 158.943 8.788 5.937 1.00 0.20 C ATOM 1799 O GLY B 27 157.803 9.196 5.829 1.00 0.20 O ATOM 0 H GLY B 27 158.615 8.390 3.020 1.00 0.17 H new ATOM 0 HA2 GLY B 27 159.871 6.945 5.298 1.00 0.18 H new ATOM 0 HA3 GLY B 27 160.484 8.369 4.482 1.00 0.18 H new ATOM 1803 N GLU B 28 159.666 9.061 6.984 1.00 0.22 N ATOM 1804 CA GLU B 28 159.094 9.896 8.079 1.00 0.27 C ATOM 1805 C GLU B 28 158.669 11.266 7.534 1.00 0.27 C ATOM 1806 O GLU B 28 157.640 11.794 7.907 1.00 0.31 O ATOM 1807 CB GLU B 28 160.131 10.072 9.191 1.00 0.30 C ATOM 1808 CG GLU B 28 160.411 8.712 9.840 1.00 0.33 C ATOM 1809 CD GLU B 28 161.199 8.912 11.136 1.00 1.22 C ATOM 1810 OE1 GLU B 28 161.482 10.052 11.465 1.00 1.82 O ATOM 1811 OE2 GLU B 28 161.502 7.920 11.780 1.00 1.60 O ATOM 0 H GLU B 28 160.625 8.745 7.131 1.00 0.22 H new ATOM 0 HA GLU B 28 158.216 9.394 8.486 1.00 0.27 H new ATOM 0 HB2 GLU B 28 161.051 10.490 8.783 1.00 0.30 H new ATOM 0 HB3 GLU B 28 159.765 10.776 9.938 1.00 0.30 H new ATOM 0 HG2 GLU B 28 159.473 8.198 10.049 1.00 0.33 H new ATOM 0 HG3 GLU B 28 160.975 8.080 9.154 1.00 0.33 H new ATOM 1818 N VAL B 29 159.443 11.848 6.658 1.00 0.26 N ATOM 1819 CA VAL B 29 159.064 13.184 6.102 1.00 0.29 C ATOM 1820 C VAL B 29 157.786 13.036 5.273 1.00 0.29 C ATOM 1821 O VAL B 29 156.871 13.828 5.381 1.00 0.31 O ATOM 1822 CB VAL B 29 160.218 13.700 5.213 1.00 0.30 C ATOM 1823 CG1 VAL B 29 159.826 15.009 4.484 1.00 0.34 C ATOM 1824 CG2 VAL B 29 161.481 13.934 6.079 1.00 0.32 C ATOM 0 H VAL B 29 160.317 11.461 6.303 1.00 0.26 H new ATOM 0 HA VAL B 29 158.885 13.894 6.909 1.00 0.29 H new ATOM 0 HB VAL B 29 160.429 12.944 4.456 1.00 0.30 H new ATOM 0 HG11 VAL B 29 160.659 15.346 3.867 1.00 0.34 H new ATOM 0 HG12 VAL B 29 158.957 14.827 3.852 1.00 0.34 H new ATOM 0 HG13 VAL B 29 159.586 15.777 5.219 1.00 0.34 H new ATOM 0 HG21 VAL B 29 162.292 14.298 5.448 1.00 0.32 H new ATOM 0 HG22 VAL B 29 161.262 14.673 6.850 1.00 0.32 H new ATOM 0 HG23 VAL B 29 161.779 12.997 6.549 1.00 0.32 H new ATOM 1834 N LEU B 30 157.720 12.037 4.437 1.00 0.28 N ATOM 1835 CA LEU B 30 156.512 11.846 3.588 1.00 0.29 C ATOM 1836 C LEU B 30 155.324 11.439 4.459 1.00 0.29 C ATOM 1837 O LEU B 30 154.211 11.877 4.250 1.00 0.29 O ATOM 1838 CB LEU B 30 156.790 10.755 2.548 1.00 0.30 C ATOM 1839 CG LEU B 30 157.946 11.176 1.618 1.00 0.31 C ATOM 1840 CD1 LEU B 30 158.357 9.976 0.707 1.00 0.34 C ATOM 1841 CD2 LEU B 30 157.513 12.388 0.762 1.00 0.35 C ATOM 0 H LEU B 30 158.455 11.342 4.305 1.00 0.28 H new ATOM 0 HA LEU B 30 156.275 12.781 3.080 1.00 0.29 H new ATOM 0 HB2 LEU B 30 157.042 9.821 3.051 1.00 0.30 H new ATOM 0 HB3 LEU B 30 155.892 10.568 1.959 1.00 0.30 H new ATOM 0 HG LEU B 30 158.808 11.465 2.219 1.00 0.31 H new ATOM 0 HD11 LEU B 30 159.174 10.279 0.052 1.00 0.34 H new ATOM 0 HD12 LEU B 30 158.681 9.141 1.329 1.00 0.34 H new ATOM 0 HD13 LEU B 30 157.503 9.668 0.103 1.00 0.34 H new ATOM 0 HD21 LEU B 30 158.333 12.682 0.107 1.00 0.35 H new ATOM 0 HD22 LEU B 30 156.646 12.117 0.160 1.00 0.35 H new ATOM 0 HD23 LEU B 30 157.254 13.221 1.415 1.00 0.35 H new ATOM 1853 N GLY B 31 155.549 10.601 5.427 1.00 0.30 N ATOM 1854 CA GLY B 31 154.427 10.176 6.304 1.00 0.32 C ATOM 1855 C GLY B 31 153.827 11.413 6.974 1.00 0.32 C ATOM 1856 O GLY B 31 152.642 11.482 7.229 1.00 0.32 O ATOM 0 H GLY B 31 156.457 10.193 5.649 1.00 0.30 H new ATOM 0 HA2 GLY B 31 153.667 9.658 5.719 1.00 0.32 H new ATOM 0 HA3 GLY B 31 154.783 9.474 7.058 1.00 0.32 H new ATOM 1860 N LYS B 32 154.647 12.387 7.266 1.00 0.32 N ATOM 1861 CA LYS B 32 154.143 13.626 7.927 1.00 0.34 C ATOM 1862 C LYS B 32 153.221 14.400 6.973 1.00 0.32 C ATOM 1863 O LYS B 32 152.222 14.958 7.383 1.00 0.35 O ATOM 1864 CB LYS B 32 155.357 14.514 8.307 1.00 0.38 C ATOM 1865 CG LYS B 32 155.409 14.775 9.824 1.00 1.04 C ATOM 1866 CD LYS B 32 156.292 16.000 10.106 1.00 1.54 C ATOM 1867 CE LYS B 32 156.791 15.957 11.549 1.00 2.28 C ATOM 1868 NZ LYS B 32 157.691 14.782 11.718 1.00 2.85 N ATOM 0 H LYS B 32 155.649 12.378 7.074 1.00 0.32 H new ATOM 0 HA LYS B 32 153.577 13.358 8.819 1.00 0.34 H new ATOM 0 HB2 LYS B 32 156.279 14.028 7.988 1.00 0.38 H new ATOM 0 HB3 LYS B 32 155.296 15.463 7.775 1.00 0.38 H new ATOM 0 HG2 LYS B 32 154.403 14.943 10.209 1.00 1.04 H new ATOM 0 HG3 LYS B 32 155.806 13.901 10.340 1.00 1.04 H new ATOM 0 HD2 LYS B 32 157.138 16.016 9.419 1.00 1.54 H new ATOM 0 HD3 LYS B 32 155.725 16.915 9.935 1.00 1.54 H new ATOM 0 HE2 LYS B 32 157.324 16.877 11.790 1.00 2.28 H new ATOM 0 HE3 LYS B 32 155.948 15.887 12.237 1.00 2.28 H new ATOM 0 HZ1 LYS B 32 158.422 15.003 12.424 1.00 2.85 H new ATOM 0 HZ2 LYS B 32 157.136 13.963 12.040 1.00 2.85 H new ATOM 0 HZ3 LYS B 32 158.144 14.558 10.809 1.00 2.85 H new ATOM 1882 N LYS B 33 153.557 14.467 5.717 1.00 0.29 N ATOM 1883 CA LYS B 33 152.703 15.238 4.775 1.00 0.30 C ATOM 1884 C LYS B 33 151.373 14.511 4.595 1.00 0.29 C ATOM 1885 O LYS B 33 150.321 15.111 4.655 1.00 0.32 O ATOM 1886 CB LYS B 33 153.435 15.368 3.438 1.00 0.31 C ATOM 1887 CG LYS B 33 154.727 16.160 3.665 1.00 0.35 C ATOM 1888 CD LYS B 33 155.493 16.313 2.344 1.00 0.80 C ATOM 1889 CE LYS B 33 156.798 17.111 2.567 1.00 0.84 C ATOM 1890 NZ LYS B 33 156.619 18.502 2.064 1.00 1.52 N ATOM 0 H LYS B 33 154.379 14.025 5.304 1.00 0.29 H new ATOM 0 HA LYS B 33 152.504 16.235 5.168 1.00 0.30 H new ATOM 0 HB2 LYS B 33 153.662 14.382 3.033 1.00 0.31 H new ATOM 0 HB3 LYS B 33 152.803 15.875 2.708 1.00 0.31 H new ATOM 0 HG2 LYS B 33 154.493 17.143 4.074 1.00 0.35 H new ATOM 0 HG3 LYS B 33 155.351 15.650 4.399 1.00 0.35 H new ATOM 0 HD2 LYS B 33 155.726 15.330 1.935 1.00 0.80 H new ATOM 0 HD3 LYS B 33 154.868 16.823 1.611 1.00 0.80 H new ATOM 0 HE2 LYS B 33 157.052 17.126 3.627 1.00 0.84 H new ATOM 0 HE3 LYS B 33 157.626 16.628 2.048 1.00 0.84 H new ATOM 0 HZ1 LYS B 33 157.496 19.041 2.213 1.00 1.52 H new ATOM 0 HZ2 LYS B 33 156.396 18.478 1.048 1.00 1.52 H new ATOM 0 HZ3 LYS B 33 155.840 18.960 2.579 1.00 1.52 H new ATOM 1904 N LEU B 34 151.400 13.221 4.418 1.00 0.25 N ATOM 1905 CA LEU B 34 150.120 12.475 4.285 1.00 0.25 C ATOM 1906 C LEU B 34 149.339 12.637 5.598 1.00 0.26 C ATOM 1907 O LEU B 34 148.135 12.793 5.615 1.00 0.27 O ATOM 1908 CB LEU B 34 150.402 10.991 4.006 1.00 0.22 C ATOM 1909 CG LEU B 34 151.113 10.830 2.649 1.00 0.21 C ATOM 1910 CD1 LEU B 34 151.813 9.460 2.604 1.00 0.24 C ATOM 1911 CD2 LEU B 34 150.090 10.931 1.480 1.00 0.27 C ATOM 0 H LEU B 34 152.246 12.654 4.360 1.00 0.25 H new ATOM 0 HA LEU B 34 149.535 12.867 3.453 1.00 0.25 H new ATOM 0 HB2 LEU B 34 151.021 10.575 4.801 1.00 0.22 H new ATOM 0 HB3 LEU B 34 149.467 10.430 4.004 1.00 0.22 H new ATOM 0 HG LEU B 34 151.848 11.627 2.538 1.00 0.21 H new ATOM 0 HD11 LEU B 34 152.318 9.341 1.645 1.00 0.24 H new ATOM 0 HD12 LEU B 34 152.545 9.399 3.410 1.00 0.24 H new ATOM 0 HD13 LEU B 34 151.073 8.669 2.725 1.00 0.24 H new ATOM 0 HD21 LEU B 34 150.611 10.815 0.530 1.00 0.27 H new ATOM 0 HD22 LEU B 34 149.342 10.145 1.582 1.00 0.27 H new ATOM 0 HD23 LEU B 34 149.600 11.904 1.509 1.00 0.27 H new ATOM 1923 N GLU B 35 150.037 12.595 6.697 1.00 0.26 N ATOM 1924 CA GLU B 35 149.361 12.741 8.021 1.00 0.29 C ATOM 1925 C GLU B 35 148.656 14.099 8.082 1.00 0.33 C ATOM 1926 O GLU B 35 147.538 14.211 8.544 1.00 0.36 O ATOM 1927 CB GLU B 35 150.413 12.646 9.130 1.00 0.31 C ATOM 1928 CG GLU B 35 149.747 12.772 10.502 1.00 1.02 C ATOM 1929 CD GLU B 35 150.799 12.573 11.595 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.892 13.092 11.440 1.00 1.47 O ATOM 1931 OE2 GLU B 35 150.498 11.895 12.564 1.00 1.49 O ATOM 0 H GLU B 35 151.048 12.466 6.739 1.00 0.26 H new ATOM 0 HA GLU B 35 148.623 11.950 8.154 1.00 0.29 H new ATOM 0 HB2 GLU B 35 150.941 11.695 9.060 1.00 0.31 H new ATOM 0 HB3 GLU B 35 151.156 13.433 9.005 1.00 0.31 H new ATOM 0 HG2 GLU B 35 149.281 13.752 10.604 1.00 1.02 H new ATOM 0 HG3 GLU B 35 148.955 12.030 10.604 1.00 1.02 H new ATOM 1938 N GLU B 36 149.297 15.127 7.599 1.00 0.35 N ATOM 1939 CA GLU B 36 148.669 16.479 7.602 1.00 0.41 C ATOM 1940 C GLU B 36 147.497 16.473 6.611 1.00 0.42 C ATOM 1941 O GLU B 36 146.635 17.330 6.638 1.00 0.47 O ATOM 1942 CB GLU B 36 149.724 17.534 7.190 1.00 0.44 C ATOM 1943 CG GLU B 36 149.619 18.777 8.084 1.00 1.29 C ATOM 1944 CD GLU B 36 150.666 19.805 7.653 1.00 1.71 C ATOM 1945 OE1 GLU B 36 151.774 19.741 8.159 1.00 2.43 O ATOM 1946 OE2 GLU B 36 150.342 20.640 6.824 1.00 2.11 O ATOM 0 H GLU B 36 150.235 15.089 7.200 1.00 0.35 H new ATOM 0 HA GLU B 36 148.300 16.729 8.597 1.00 0.41 H new ATOM 0 HB2 GLU B 36 150.724 17.107 7.267 1.00 0.44 H new ATOM 0 HB3 GLU B 36 149.577 17.815 6.147 1.00 0.44 H new ATOM 0 HG2 GLU B 36 148.620 19.207 8.011 1.00 1.29 H new ATOM 0 HG3 GLU B 36 149.772 18.502 9.127 1.00 1.29 H new ATOM 1953 N ARG B 37 147.484 15.519 5.723 1.00 0.39 N ATOM 1954 CA ARG B 37 146.398 15.452 4.704 1.00 0.41 C ATOM 1955 C ARG B 37 145.232 14.610 5.242 1.00 0.38 C ATOM 1956 O ARG B 37 144.235 14.426 4.572 1.00 0.39 O ATOM 1957 CB ARG B 37 146.945 14.801 3.430 1.00 0.41 C ATOM 1958 CG ARG B 37 147.965 15.720 2.748 1.00 0.48 C ATOM 1959 CD ARG B 37 147.272 16.829 1.952 1.00 0.71 C ATOM 1960 NE ARG B 37 148.218 17.294 0.897 1.00 1.35 N ATOM 1961 CZ ARG B 37 147.823 18.126 -0.023 1.00 1.75 C ATOM 1962 NH1 ARG B 37 146.632 18.654 0.042 1.00 1.91 N ATOM 1963 NH2 ARG B 37 148.629 18.445 -0.999 1.00 2.56 N ATOM 0 H ARG B 37 148.182 14.778 5.658 1.00 0.39 H new ATOM 0 HA ARG B 37 146.044 16.459 4.485 1.00 0.41 H new ATOM 0 HB2 ARG B 37 147.413 13.848 3.675 1.00 0.41 H new ATOM 0 HB3 ARG B 37 146.125 14.587 2.744 1.00 0.41 H new ATOM 0 HG2 ARG B 37 148.618 16.163 3.500 1.00 0.48 H new ATOM 0 HG3 ARG B 37 148.598 15.133 2.082 1.00 0.48 H new ATOM 0 HD2 ARG B 37 146.351 16.458 1.502 1.00 0.71 H new ATOM 0 HD3 ARG B 37 146.996 17.655 2.608 1.00 0.71 H new ATOM 0 HE ARG B 37 149.181 16.958 0.896 1.00 1.35 H new ATOM 0 HH11 ARG B 37 146.010 18.415 0.814 1.00 1.91 H new ATOM 0 HH12 ARG B 37 146.323 19.306 -0.679 1.00 1.91 H new ATOM 0 HH21 ARG B 37 149.565 18.043 -1.039 1.00 2.56 H new ATOM 0 HH22 ARG B 37 148.322 19.097 -1.721 1.00 2.56 H new ATOM 1977 N GLY B 38 145.331 14.125 6.461 1.00 0.36 N ATOM 1978 CA GLY B 38 144.204 13.328 7.053 1.00 0.35 C ATOM 1979 C GLY B 38 144.508 11.828 7.021 1.00 0.32 C ATOM 1980 O GLY B 38 143.655 11.018 7.322 1.00 0.46 O ATOM 0 H GLY B 38 146.141 14.246 7.069 1.00 0.36 H new ATOM 0 HA2 GLY B 38 144.033 13.645 8.082 1.00 0.35 H new ATOM 0 HA3 GLY B 38 143.285 13.527 6.501 1.00 0.35 H new ATOM 1984 N PHE B 39 145.708 11.441 6.670 1.00 0.28 N ATOM 1985 CA PHE B 39 146.061 9.985 6.635 1.00 0.25 C ATOM 1986 C PHE B 39 146.982 9.667 7.817 1.00 0.26 C ATOM 1987 O PHE B 39 148.175 9.499 7.661 1.00 0.27 O ATOM 1988 CB PHE B 39 146.811 9.691 5.341 1.00 0.25 C ATOM 1989 CG PHE B 39 145.908 9.905 4.147 1.00 0.26 C ATOM 1990 CD1 PHE B 39 145.785 11.187 3.597 1.00 0.30 C ATOM 1991 CD2 PHE B 39 145.208 8.827 3.577 1.00 0.28 C ATOM 1992 CE1 PHE B 39 144.961 11.403 2.477 1.00 0.34 C ATOM 1993 CE2 PHE B 39 144.380 9.037 2.458 1.00 0.33 C ATOM 1994 CZ PHE B 39 144.257 10.327 1.907 1.00 0.35 C ATOM 0 H PHE B 39 146.464 12.073 6.404 1.00 0.28 H new ATOM 0 HA PHE B 39 145.155 9.382 6.692 1.00 0.25 H new ATOM 0 HB2 PHE B 39 147.685 10.338 5.265 1.00 0.25 H new ATOM 0 HB3 PHE B 39 147.175 8.664 5.350 1.00 0.25 H new ATOM 0 HD1 PHE B 39 146.325 12.014 4.034 1.00 0.30 H new ATOM 0 HD2 PHE B 39 145.306 7.837 3.998 1.00 0.28 H new ATOM 0 HE1 PHE B 39 144.869 12.393 2.056 1.00 0.34 H new ATOM 0 HE2 PHE B 39 143.840 8.209 2.023 1.00 0.33 H new ATOM 0 HZ PHE B 39 143.623 10.490 1.048 1.00 0.35 H new ATOM 2004 N ASP B 40 146.439 9.614 9.001 1.00 0.28 N ATOM 2005 CA ASP B 40 147.290 9.341 10.196 1.00 0.31 C ATOM 2006 C ASP B 40 147.581 7.843 10.323 1.00 0.29 C ATOM 2007 O ASP B 40 148.399 7.436 11.124 1.00 0.31 O ATOM 2008 CB ASP B 40 146.554 9.817 11.449 1.00 0.33 C ATOM 2009 CG ASP B 40 145.264 9.012 11.616 1.00 0.29 C ATOM 2010 OD1 ASP B 40 144.816 8.439 10.636 1.00 0.28 O ATOM 2011 OD2 ASP B 40 144.746 8.981 12.720 1.00 0.34 O ATOM 0 H ASP B 40 145.446 9.747 9.194 1.00 0.28 H new ATOM 0 HA ASP B 40 148.235 9.872 10.085 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.189 9.694 12.326 1.00 0.33 H new ATOM 0 HB3 ASP B 40 146.325 10.880 11.368 1.00 0.33 H new ATOM 2016 N LYS B 41 146.915 7.017 9.553 1.00 0.25 N ATOM 2017 CA LYS B 41 147.146 5.535 9.639 1.00 0.26 C ATOM 2018 C LYS B 41 147.400 4.984 8.229 1.00 0.22 C ATOM 2019 O LYS B 41 146.918 5.518 7.250 1.00 0.21 O ATOM 2020 CB LYS B 41 145.891 4.867 10.221 1.00 0.29 C ATOM 2021 CG LYS B 41 145.585 5.414 11.632 1.00 0.38 C ATOM 2022 CD LYS B 41 146.310 4.584 12.704 1.00 0.83 C ATOM 2023 CE LYS B 41 146.271 5.310 14.068 1.00 0.61 C ATOM 2024 NZ LYS B 41 145.857 4.346 15.128 1.00 1.43 N ATOM 0 H LYS B 41 146.218 7.304 8.865 1.00 0.25 H new ATOM 0 HA LYS B 41 148.006 5.329 10.276 1.00 0.26 H new ATOM 0 HB2 LYS B 41 145.040 5.046 9.564 1.00 0.29 H new ATOM 0 HB3 LYS B 41 146.036 3.788 10.268 1.00 0.29 H new ATOM 0 HG2 LYS B 41 145.897 6.456 11.699 1.00 0.38 H new ATOM 0 HG3 LYS B 41 144.510 5.391 11.812 1.00 0.38 H new ATOM 0 HD2 LYS B 41 145.841 3.604 12.793 1.00 0.83 H new ATOM 0 HD3 LYS B 41 147.344 4.416 12.404 1.00 0.83 H new ATOM 0 HE2 LYS B 41 147.252 5.725 14.300 1.00 0.61 H new ATOM 0 HE3 LYS B 41 145.573 6.146 14.028 1.00 0.61 H new ATOM 0 HZ1 LYS B 41 145.830 4.831 16.047 1.00 1.43 H new ATOM 0 HZ2 LYS B 41 144.913 3.971 14.906 1.00 1.43 H new ATOM 0 HZ3 LYS B 41 146.540 3.562 15.170 1.00 1.43 H new ATOM 2038 N ALA B 42 148.162 3.929 8.118 1.00 0.21 N ATOM 2039 CA ALA B 42 148.460 3.349 6.772 1.00 0.19 C ATOM 2040 C ALA B 42 147.175 2.851 6.099 1.00 0.18 C ATOM 2041 O ALA B 42 146.976 3.040 4.916 1.00 0.18 O ATOM 2042 CB ALA B 42 149.434 2.177 6.940 1.00 0.21 C ATOM 0 H ALA B 42 148.593 3.441 8.903 1.00 0.21 H new ATOM 0 HA ALA B 42 148.903 4.122 6.143 1.00 0.19 H new ATOM 0 HB1 ALA B 42 149.658 1.747 5.964 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.356 2.533 7.400 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.982 1.416 7.576 1.00 0.21 H new ATOM 2048 N TYR B 43 146.320 2.187 6.824 1.00 0.19 N ATOM 2049 CA TYR B 43 145.081 1.645 6.199 1.00 0.19 C ATOM 2050 C TYR B 43 144.267 2.771 5.535 1.00 0.18 C ATOM 2051 O TYR B 43 143.447 2.515 4.676 1.00 0.18 O ATOM 2052 CB TYR B 43 144.246 0.887 7.243 1.00 0.21 C ATOM 2053 CG TYR B 43 143.487 1.843 8.123 1.00 0.19 C ATOM 2054 CD1 TYR B 43 142.326 2.455 7.633 1.00 0.35 C ATOM 2055 CD2 TYR B 43 143.930 2.115 9.432 1.00 0.28 C ATOM 2056 CE1 TYR B 43 141.606 3.340 8.440 1.00 0.47 C ATOM 2057 CE2 TYR B 43 143.205 3.005 10.246 1.00 0.39 C ATOM 2058 CZ TYR B 43 142.041 3.618 9.749 1.00 0.46 C ATOM 2059 OH TYR B 43 141.327 4.493 10.543 1.00 0.61 O ATOM 0 H TYR B 43 146.424 1.996 7.820 1.00 0.19 H new ATOM 0 HA TYR B 43 145.363 0.940 5.417 1.00 0.19 H new ATOM 0 HB2 TYR B 43 143.548 0.218 6.740 1.00 0.21 H new ATOM 0 HB3 TYR B 43 144.899 0.265 7.854 1.00 0.21 H new ATOM 0 HD1 TYR B 43 141.987 2.242 6.630 1.00 0.35 H new ATOM 0 HD2 TYR B 43 144.824 1.642 9.810 1.00 0.28 H new ATOM 0 HE1 TYR B 43 140.713 3.812 8.058 1.00 0.47 H new ATOM 0 HE2 TYR B 43 143.542 3.217 11.250 1.00 0.39 H new ATOM 0 HH TYR B 43 141.763 4.572 11.417 1.00 0.61 H new ATOM 2069 N VAL B 44 144.505 4.013 5.881 1.00 0.18 N ATOM 2070 CA VAL B 44 143.751 5.119 5.205 1.00 0.18 C ATOM 2071 C VAL B 44 144.400 5.342 3.836 1.00 0.17 C ATOM 2072 O VAL B 44 143.754 5.669 2.858 1.00 0.17 O ATOM 2073 CB VAL B 44 143.842 6.433 6.009 1.00 0.21 C ATOM 2074 CG1 VAL B 44 142.963 7.523 5.345 1.00 0.23 C ATOM 2075 CG2 VAL B 44 143.401 6.208 7.471 1.00 0.23 C ATOM 0 H VAL B 44 145.177 4.307 6.590 1.00 0.18 H new ATOM 0 HA VAL B 44 142.700 4.842 5.122 1.00 0.18 H new ATOM 0 HB VAL B 44 144.879 6.767 6.012 1.00 0.21 H new ATOM 0 HG11 VAL B 44 143.033 8.447 5.919 1.00 0.23 H new ATOM 0 HG12 VAL B 44 143.311 7.701 4.327 1.00 0.23 H new ATOM 0 HG13 VAL B 44 141.926 7.189 5.321 1.00 0.23 H new ATOM 0 HG21 VAL B 44 143.472 7.146 8.021 1.00 0.23 H new ATOM 0 HG22 VAL B 44 142.370 5.854 7.490 1.00 0.23 H new ATOM 0 HG23 VAL B 44 144.048 5.465 7.936 1.00 0.23 H new ATOM 2085 N VAL B 45 145.690 5.155 3.785 1.00 0.17 N ATOM 2086 CA VAL B 45 146.433 5.347 2.510 1.00 0.17 C ATOM 2087 C VAL B 45 146.159 4.156 1.600 1.00 0.16 C ATOM 2088 O VAL B 45 145.966 4.310 0.410 1.00 0.16 O ATOM 2089 CB VAL B 45 147.938 5.447 2.786 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.729 5.427 1.448 1.00 0.19 C ATOM 2091 CG2 VAL B 45 148.210 6.741 3.570 1.00 0.19 C ATOM 0 H VAL B 45 146.265 4.875 4.580 1.00 0.17 H new ATOM 0 HA VAL B 45 146.103 6.269 2.031 1.00 0.17 H new ATOM 0 HB VAL B 45 148.268 4.594 3.379 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.797 5.499 1.655 1.00 0.19 H new ATOM 0 HG12 VAL B 45 148.524 4.497 0.918 1.00 0.19 H new ATOM 0 HG13 VAL B 45 148.422 6.272 0.831 1.00 0.19 H new ATOM 0 HG21 VAL B 45 149.277 6.825 3.774 1.00 0.19 H new ATOM 0 HG22 VAL B 45 147.884 7.598 2.981 1.00 0.19 H new ATOM 0 HG23 VAL B 45 147.662 6.718 4.512 1.00 0.19 H new ATOM 2101 N LEU B 46 146.106 2.971 2.139 1.00 0.16 N ATOM 2102 CA LEU B 46 145.806 1.806 1.271 1.00 0.17 C ATOM 2103 C LEU B 46 144.437 2.058 0.650 1.00 0.17 C ATOM 2104 O LEU B 46 144.174 1.691 -0.474 1.00 0.19 O ATOM 2105 CB LEU B 46 145.800 0.500 2.100 1.00 0.19 C ATOM 2106 CG LEU B 46 145.238 -0.693 1.285 1.00 0.21 C ATOM 2107 CD1 LEU B 46 146.187 -1.095 0.148 1.00 0.30 C ATOM 2108 CD2 LEU B 46 145.062 -1.899 2.205 1.00 0.28 C ATOM 0 H LEU B 46 146.255 2.763 3.126 1.00 0.16 H new ATOM 0 HA LEU B 46 146.565 1.691 0.497 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.814 0.272 2.427 1.00 0.19 H new ATOM 0 HB3 LEU B 46 145.200 0.642 2.999 1.00 0.19 H new ATOM 0 HG LEU B 46 144.284 -0.382 0.858 1.00 0.21 H new ATOM 0 HD11 LEU B 46 145.761 -1.934 -0.402 1.00 0.30 H new ATOM 0 HD12 LEU B 46 146.324 -0.250 -0.527 1.00 0.30 H new ATOM 0 HD13 LEU B 46 147.151 -1.386 0.565 1.00 0.30 H new ATOM 0 HD21 LEU B 46 144.667 -2.738 1.633 1.00 0.28 H new ATOM 0 HD22 LEU B 46 146.026 -2.174 2.633 1.00 0.28 H new ATOM 0 HD23 LEU B 46 144.367 -1.647 3.006 1.00 0.28 H new ATOM 2120 N GLY B 47 143.564 2.689 1.385 1.00 0.17 N ATOM 2121 CA GLY B 47 142.208 2.974 0.854 1.00 0.19 C ATOM 2122 C GLY B 47 142.323 3.822 -0.404 1.00 0.17 C ATOM 2123 O GLY B 47 141.619 3.615 -1.368 1.00 0.17 O ATOM 0 H GLY B 47 143.735 3.020 2.335 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.690 2.041 0.630 1.00 0.19 H new ATOM 0 HA3 GLY B 47 141.614 3.496 1.604 1.00 0.19 H new ATOM 2127 N GLN B 48 143.208 4.776 -0.407 1.00 0.16 N ATOM 2128 CA GLN B 48 143.363 5.632 -1.611 1.00 0.16 C ATOM 2129 C GLN B 48 143.749 4.748 -2.802 1.00 0.16 C ATOM 2130 O GLN B 48 143.238 4.894 -3.890 1.00 0.16 O ATOM 2131 CB GLN B 48 144.473 6.651 -1.354 1.00 0.16 C ATOM 2132 CG GLN B 48 144.467 7.711 -2.454 1.00 0.20 C ATOM 2133 CD GLN B 48 143.200 8.564 -2.336 1.00 0.28 C ATOM 2134 OE1 GLN B 48 143.029 9.291 -1.379 1.00 1.00 O ATOM 2135 NE2 GLN B 48 142.296 8.501 -3.273 1.00 1.12 N ATOM 0 H GLN B 48 143.829 4.999 0.371 1.00 0.16 H new ATOM 0 HA GLN B 48 142.429 6.152 -1.826 1.00 0.16 H new ATOM 0 HB2 GLN B 48 144.329 7.122 -0.382 1.00 0.16 H new ATOM 0 HB3 GLN B 48 145.440 6.149 -1.325 1.00 0.16 H new ATOM 0 HG2 GLN B 48 145.352 8.342 -2.370 1.00 0.20 H new ATOM 0 HG3 GLN B 48 144.507 7.234 -3.433 1.00 0.20 H new ATOM 0 HE21 GLN B 48 142.438 7.891 -4.078 1.00 1.12 H new ATOM 0 HE22 GLN B 48 141.447 9.062 -3.201 1.00 1.12 H new ATOM 2144 N PHE B 49 144.639 3.819 -2.588 1.00 0.16 N ATOM 2145 CA PHE B 49 145.067 2.900 -3.685 1.00 0.16 C ATOM 2146 C PHE B 49 143.854 2.118 -4.206 1.00 0.18 C ATOM 2147 O PHE B 49 143.702 1.891 -5.390 1.00 0.19 O ATOM 2148 CB PHE B 49 146.110 1.936 -3.115 1.00 0.18 C ATOM 2149 CG PHE B 49 146.585 0.977 -4.180 1.00 0.19 C ATOM 2150 CD1 PHE B 49 147.459 1.420 -5.190 1.00 0.27 C ATOM 2151 CD2 PHE B 49 146.170 -0.369 -4.148 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.917 0.517 -6.169 1.00 0.29 C ATOM 2153 CE2 PHE B 49 146.625 -1.270 -5.127 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.500 -0.828 -6.138 1.00 0.26 C ATOM 0 H PHE B 49 145.094 3.654 -1.690 1.00 0.16 H new ATOM 0 HA PHE B 49 145.494 3.466 -4.513 1.00 0.16 H new ATOM 0 HB2 PHE B 49 146.956 2.499 -2.721 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.682 1.379 -2.282 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.778 2.451 -5.214 1.00 0.27 H new ATOM 0 HD2 PHE B 49 145.502 -0.709 -3.371 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.588 0.856 -6.944 1.00 0.29 H new ATOM 0 HE2 PHE B 49 146.303 -2.301 -5.104 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.851 -1.520 -6.889 1.00 0.26 H new ATOM 2164 N LEU B 50 143.007 1.698 -3.322 1.00 0.19 N ATOM 2165 CA LEU B 50 141.810 0.917 -3.754 1.00 0.21 C ATOM 2166 C LEU B 50 140.858 1.849 -4.519 1.00 0.23 C ATOM 2167 O LEU B 50 140.237 1.460 -5.488 1.00 0.25 O ATOM 2168 CB LEU B 50 141.111 0.339 -2.518 1.00 0.23 C ATOM 2169 CG LEU B 50 142.077 -0.561 -1.725 1.00 0.22 C ATOM 2170 CD1 LEU B 50 141.403 -1.035 -0.421 1.00 0.32 C ATOM 2171 CD2 LEU B 50 142.483 -1.786 -2.552 1.00 0.32 C ATOM 0 H LEU B 50 143.084 1.857 -2.317 1.00 0.19 H new ATOM 0 HA LEU B 50 142.109 0.096 -4.406 1.00 0.21 H new ATOM 0 HB2 LEU B 50 140.754 1.149 -1.882 1.00 0.23 H new ATOM 0 HB3 LEU B 50 140.236 -0.236 -2.823 1.00 0.23 H new ATOM 0 HG LEU B 50 142.968 0.021 -1.492 1.00 0.22 H new ATOM 0 HD11 LEU B 50 142.092 -1.671 0.134 1.00 0.32 H new ATOM 0 HD12 LEU B 50 141.138 -0.170 0.187 1.00 0.32 H new ATOM 0 HD13 LEU B 50 140.502 -1.600 -0.661 1.00 0.32 H new ATOM 0 HD21 LEU B 50 143.165 -2.407 -1.972 1.00 0.32 H new ATOM 0 HD22 LEU B 50 141.594 -2.364 -2.807 1.00 0.32 H new ATOM 0 HD23 LEU B 50 142.978 -1.460 -3.467 1.00 0.32 H new ATOM 2183 N VAL B 51 140.736 3.070 -4.084 1.00 0.22 N ATOM 2184 CA VAL B 51 139.827 4.039 -4.774 1.00 0.25 C ATOM 2185 C VAL B 51 140.362 4.338 -6.185 1.00 0.26 C ATOM 2186 O VAL B 51 139.608 4.641 -7.089 1.00 0.27 O ATOM 2187 CB VAL B 51 139.758 5.328 -3.930 1.00 0.29 C ATOM 2188 CG1 VAL B 51 138.974 6.452 -4.645 1.00 0.30 C ATOM 2189 CG2 VAL B 51 139.068 5.000 -2.601 1.00 0.30 C ATOM 0 H VAL B 51 141.229 3.446 -3.274 1.00 0.22 H new ATOM 0 HA VAL B 51 138.827 3.618 -4.874 1.00 0.25 H new ATOM 0 HB VAL B 51 140.775 5.687 -3.771 1.00 0.29 H new ATOM 0 HG11 VAL B 51 138.952 7.339 -4.012 1.00 0.30 H new ATOM 0 HG12 VAL B 51 139.462 6.692 -5.590 1.00 0.30 H new ATOM 0 HG13 VAL B 51 137.954 6.119 -4.838 1.00 0.30 H new ATOM 0 HG21 VAL B 51 139.010 5.900 -1.989 1.00 0.30 H new ATOM 0 HG22 VAL B 51 138.062 4.628 -2.795 1.00 0.30 H new ATOM 0 HG23 VAL B 51 139.641 4.238 -2.072 1.00 0.30 H new ATOM 2199 N LEU B 52 141.651 4.266 -6.380 1.00 0.26 N ATOM 2200 CA LEU B 52 142.220 4.569 -7.734 1.00 0.28 C ATOM 2201 C LEU B 52 142.228 3.313 -8.611 1.00 0.26 C ATOM 2202 O LEU B 52 142.864 3.279 -9.642 1.00 0.27 O ATOM 2203 CB LEU B 52 143.650 5.090 -7.586 1.00 0.30 C ATOM 2204 CG LEU B 52 143.658 6.393 -6.767 1.00 0.29 C ATOM 2205 CD1 LEU B 52 145.111 6.853 -6.546 1.00 0.38 C ATOM 2206 CD2 LEU B 52 142.873 7.495 -7.513 1.00 0.29 C ATOM 0 H LEU B 52 142.335 4.012 -5.667 1.00 0.26 H new ATOM 0 HA LEU B 52 141.596 5.326 -8.209 1.00 0.28 H new ATOM 0 HB2 LEU B 52 144.269 4.339 -7.095 1.00 0.30 H new ATOM 0 HB3 LEU B 52 144.084 5.268 -8.570 1.00 0.30 H new ATOM 0 HG LEU B 52 143.182 6.210 -5.803 1.00 0.29 H new ATOM 0 HD11 LEU B 52 145.116 7.776 -5.966 1.00 0.38 H new ATOM 0 HD12 LEU B 52 145.659 6.081 -6.005 1.00 0.38 H new ATOM 0 HD13 LEU B 52 145.588 7.028 -7.510 1.00 0.38 H new ATOM 0 HD21 LEU B 52 142.885 8.412 -6.924 1.00 0.29 H new ATOM 0 HD22 LEU B 52 143.337 7.679 -8.482 1.00 0.29 H new ATOM 0 HD23 LEU B 52 141.842 7.172 -7.660 1.00 0.29 H new ATOM 2218 N LYS B 53 141.522 2.288 -8.234 1.00 0.25 N ATOM 2219 CA LYS B 53 141.492 1.058 -9.080 1.00 0.25 C ATOM 2220 C LYS B 53 142.912 0.614 -9.451 1.00 0.26 C ATOM 2221 O LYS B 53 143.149 0.118 -10.534 1.00 0.34 O ATOM 2222 CB LYS B 53 140.691 1.348 -10.352 1.00 0.27 C ATOM 2223 CG LYS B 53 139.197 1.396 -10.002 1.00 0.33 C ATOM 2224 CD LYS B 53 138.346 1.688 -11.263 1.00 0.70 C ATOM 2225 CE LYS B 53 138.092 3.197 -11.437 1.00 1.31 C ATOM 2226 NZ LYS B 53 136.855 3.389 -12.245 1.00 2.14 N ATOM 0 H LYS B 53 140.965 2.244 -7.381 1.00 0.25 H new ATOM 0 HA LYS B 53 141.021 0.252 -8.516 1.00 0.25 H new ATOM 0 HB2 LYS B 53 141.006 2.296 -10.787 1.00 0.27 H new ATOM 0 HB3 LYS B 53 140.878 0.576 -11.099 1.00 0.27 H new ATOM 0 HG2 LYS B 53 138.891 0.446 -9.563 1.00 0.33 H new ATOM 0 HG3 LYS B 53 139.019 2.166 -9.251 1.00 0.33 H new ATOM 0 HD2 LYS B 53 138.856 1.300 -12.145 1.00 0.70 H new ATOM 0 HD3 LYS B 53 137.393 1.164 -11.189 1.00 0.70 H new ATOM 0 HE2 LYS B 53 137.984 3.676 -10.464 1.00 1.31 H new ATOM 0 HE3 LYS B 53 138.942 3.668 -11.931 1.00 1.31 H new ATOM 0 HZ1 LYS B 53 136.949 4.247 -12.826 1.00 2.14 H new ATOM 0 HZ2 LYS B 53 136.713 2.565 -12.864 1.00 2.14 H new ATOM 0 HZ3 LYS B 53 136.038 3.489 -11.610 1.00 2.14 H new ATOM 2240 N LYS B 54 143.856 0.783 -8.562 1.00 0.26 N ATOM 2241 CA LYS B 54 145.264 0.370 -8.846 1.00 0.28 C ATOM 2242 C LYS B 54 145.795 1.130 -10.065 1.00 0.24 C ATOM 2243 O LYS B 54 146.767 0.718 -10.666 1.00 0.29 O ATOM 2244 CB LYS B 54 145.336 -1.131 -9.165 1.00 0.38 C ATOM 2245 CG LYS B 54 144.492 -1.951 -8.184 1.00 0.85 C ATOM 2246 CD LYS B 54 144.647 -3.449 -8.531 1.00 0.92 C ATOM 2247 CE LYS B 54 143.480 -4.288 -7.968 1.00 1.45 C ATOM 2248 NZ LYS B 54 143.857 -4.833 -6.635 1.00 1.95 N ATOM 0 H LYS B 54 143.710 1.194 -7.640 1.00 0.26 H new ATOM 0 HA LYS B 54 145.861 0.592 -7.961 1.00 0.28 H new ATOM 0 HB2 LYS B 54 144.986 -1.306 -10.183 1.00 0.38 H new ATOM 0 HB3 LYS B 54 146.373 -1.464 -9.123 1.00 0.38 H new ATOM 0 HG2 LYS B 54 144.815 -1.765 -7.160 1.00 0.85 H new ATOM 0 HG3 LYS B 54 143.445 -1.655 -8.247 1.00 0.85 H new ATOM 0 HD2 LYS B 54 144.693 -3.569 -9.613 1.00 0.92 H new ATOM 0 HD3 LYS B 54 145.590 -3.820 -8.129 1.00 0.92 H new ATOM 0 HE2 LYS B 54 142.585 -3.672 -7.881 1.00 1.45 H new ATOM 0 HE3 LYS B 54 143.241 -5.103 -8.651 1.00 1.45 H new ATOM 0 HZ1 LYS B 54 143.071 -5.398 -6.256 1.00 1.95 H new ATOM 0 HZ2 LYS B 54 144.700 -5.434 -6.732 1.00 1.95 H new ATOM 0 HZ3 LYS B 54 144.064 -4.048 -5.985 1.00 1.95 H new ATOM 2262 N ASP B 55 145.212 2.234 -10.438 1.00 0.23 N ATOM 2263 CA ASP B 55 145.776 2.957 -11.610 1.00 0.29 C ATOM 2264 C ASP B 55 147.151 3.468 -11.188 1.00 0.29 C ATOM 2265 O ASP B 55 147.271 4.358 -10.370 1.00 0.29 O ATOM 2266 CB ASP B 55 144.857 4.130 -12.017 1.00 0.36 C ATOM 2267 CG ASP B 55 143.986 3.739 -13.221 1.00 1.14 C ATOM 2268 OD1 ASP B 55 144.505 3.094 -14.118 1.00 1.81 O ATOM 2269 OD2 ASP B 55 142.820 4.096 -13.225 1.00 1.52 O ATOM 0 H ASP B 55 144.395 2.657 -9.998 1.00 0.23 H new ATOM 0 HA ASP B 55 145.855 2.299 -12.476 1.00 0.29 H new ATOM 0 HB2 ASP B 55 144.222 4.410 -11.177 1.00 0.36 H new ATOM 0 HB3 ASP B 55 145.460 5.003 -12.265 1.00 0.36 H new ATOM 2274 N GLU B 56 148.187 2.890 -11.718 1.00 0.29 N ATOM 2275 CA GLU B 56 149.557 3.309 -11.335 1.00 0.29 C ATOM 2276 C GLU B 56 149.810 4.774 -11.698 1.00 0.29 C ATOM 2277 O GLU B 56 150.421 5.502 -10.955 1.00 0.29 O ATOM 2278 CB GLU B 56 150.564 2.416 -12.060 1.00 0.30 C ATOM 2279 CG GLU B 56 151.983 2.772 -11.617 1.00 0.32 C ATOM 2280 CD GLU B 56 152.972 1.791 -12.249 1.00 0.53 C ATOM 2281 OE1 GLU B 56 152.520 0.835 -12.858 1.00 1.04 O ATOM 2282 OE2 GLU B 56 154.164 2.010 -12.111 1.00 0.86 O ATOM 0 H GLU B 56 148.142 2.139 -12.406 1.00 0.29 H new ATOM 0 HA GLU B 56 149.668 3.208 -10.255 1.00 0.29 H new ATOM 0 HB2 GLU B 56 150.357 1.368 -11.843 1.00 0.30 H new ATOM 0 HB3 GLU B 56 150.467 2.543 -13.138 1.00 0.30 H new ATOM 0 HG2 GLU B 56 152.224 3.792 -11.916 1.00 0.32 H new ATOM 0 HG3 GLU B 56 152.058 2.732 -10.530 1.00 0.32 H new ATOM 2289 N ASP B 57 149.350 5.224 -12.829 1.00 0.31 N ATOM 2290 CA ASP B 57 149.601 6.646 -13.198 1.00 0.32 C ATOM 2291 C ASP B 57 148.800 7.572 -12.285 1.00 0.32 C ATOM 2292 O ASP B 57 149.288 8.592 -11.851 1.00 0.32 O ATOM 2293 CB ASP B 57 149.188 6.878 -14.652 1.00 0.36 C ATOM 2294 CG ASP B 57 150.164 6.156 -15.582 1.00 0.37 C ATOM 2295 OD1 ASP B 57 151.217 5.760 -15.111 1.00 0.85 O ATOM 2296 OD2 ASP B 57 149.844 6.015 -16.751 1.00 0.90 O ATOM 0 H ASP B 57 148.818 4.679 -13.507 1.00 0.31 H new ATOM 0 HA ASP B 57 150.663 6.862 -13.082 1.00 0.32 H new ATOM 0 HB2 ASP B 57 148.175 6.512 -14.816 1.00 0.36 H new ATOM 0 HB3 ASP B 57 149.181 7.945 -14.873 1.00 0.36 H new ATOM 2301 N LEU B 58 147.593 7.223 -11.972 1.00 0.31 N ATOM 2302 CA LEU B 58 146.801 8.102 -11.064 1.00 0.31 C ATOM 2303 C LEU B 58 147.379 8.016 -9.651 1.00 0.29 C ATOM 2304 O LEU B 58 147.466 9.002 -8.946 1.00 0.29 O ATOM 2305 CB LEU B 58 145.326 7.683 -11.044 1.00 0.32 C ATOM 2306 CG LEU B 58 144.722 7.788 -12.453 1.00 0.37 C ATOM 2307 CD1 LEU B 58 143.268 7.304 -12.413 1.00 0.35 C ATOM 2308 CD2 LEU B 58 144.759 9.248 -12.940 1.00 0.43 C ATOM 0 H LEU B 58 147.119 6.380 -12.297 1.00 0.31 H new ATOM 0 HA LEU B 58 146.860 9.127 -11.430 1.00 0.31 H new ATOM 0 HB2 LEU B 58 145.237 6.660 -10.678 1.00 0.32 H new ATOM 0 HB3 LEU B 58 144.770 8.318 -10.354 1.00 0.32 H new ATOM 0 HG LEU B 58 145.303 7.171 -13.138 1.00 0.37 H new ATOM 0 HD11 LEU B 58 142.833 7.376 -13.410 1.00 0.35 H new ATOM 0 HD12 LEU B 58 143.239 6.267 -12.078 1.00 0.35 H new ATOM 0 HD13 LEU B 58 142.697 7.924 -11.722 1.00 0.35 H new ATOM 0 HD21 LEU B 58 144.328 9.309 -13.939 1.00 0.43 H new ATOM 0 HD22 LEU B 58 144.183 9.874 -12.258 1.00 0.43 H new ATOM 0 HD23 LEU B 58 145.792 9.596 -12.968 1.00 0.43 H new ATOM 2320 N PHE B 59 147.788 6.847 -9.237 1.00 0.28 N ATOM 2321 CA PHE B 59 148.374 6.704 -7.874 1.00 0.27 C ATOM 2322 C PHE B 59 149.676 7.496 -7.768 1.00 0.27 C ATOM 2323 O PHE B 59 149.879 8.247 -6.834 1.00 0.27 O ATOM 2324 CB PHE B 59 148.644 5.229 -7.573 1.00 0.27 C ATOM 2325 CG PHE B 59 149.290 5.108 -6.212 1.00 0.27 C ATOM 2326 CD1 PHE B 59 148.490 5.009 -5.056 1.00 0.29 C ATOM 2327 CD2 PHE B 59 150.694 5.092 -6.099 1.00 0.28 C ATOM 2328 CE1 PHE B 59 149.095 4.898 -3.788 1.00 0.32 C ATOM 2329 CE2 PHE B 59 151.298 4.979 -4.832 1.00 0.30 C ATOM 2330 CZ PHE B 59 150.498 4.883 -3.676 1.00 0.32 C ATOM 0 H PHE B 59 147.742 5.987 -9.783 1.00 0.28 H new ATOM 0 HA PHE B 59 147.662 7.096 -7.148 1.00 0.27 H new ATOM 0 HB2 PHE B 59 147.712 4.664 -7.598 1.00 0.27 H new ATOM 0 HB3 PHE B 59 149.295 4.803 -8.337 1.00 0.27 H new ATOM 0 HD1 PHE B 59 147.413 5.018 -5.142 1.00 0.29 H new ATOM 0 HD2 PHE B 59 151.308 5.166 -6.985 1.00 0.28 H new ATOM 0 HE1 PHE B 59 148.482 4.824 -2.902 1.00 0.32 H new ATOM 0 HE2 PHE B 59 152.375 4.966 -4.746 1.00 0.30 H new ATOM 0 HZ PHE B 59 150.961 4.798 -2.704 1.00 0.32 H new ATOM 2340 N ARG B 60 150.575 7.322 -8.701 1.00 0.30 N ATOM 2341 CA ARG B 60 151.865 8.055 -8.610 1.00 0.32 C ATOM 2342 C ARG B 60 151.613 9.562 -8.692 1.00 0.29 C ATOM 2343 O ARG B 60 152.201 10.331 -7.958 1.00 0.28 O ATOM 2344 CB ARG B 60 152.811 7.597 -9.731 1.00 0.38 C ATOM 2345 CG ARG B 60 153.158 6.116 -9.511 1.00 0.43 C ATOM 2346 CD ARG B 60 154.336 5.686 -10.384 1.00 0.57 C ATOM 2347 NE ARG B 60 154.041 6.056 -11.803 1.00 1.30 N ATOM 2348 CZ ARG B 60 154.811 5.644 -12.767 1.00 1.70 C ATOM 2349 NH1 ARG B 60 155.741 4.761 -12.520 1.00 1.64 N ATOM 2350 NH2 ARG B 60 154.632 6.079 -13.984 1.00 2.79 N ATOM 0 H ARG B 60 150.471 6.711 -9.511 1.00 0.30 H new ATOM 0 HA ARG B 60 152.338 7.835 -7.653 1.00 0.32 H new ATOM 0 HB2 ARG B 60 152.338 7.733 -10.703 1.00 0.38 H new ATOM 0 HB3 ARG B 60 153.718 8.201 -9.730 1.00 0.38 H new ATOM 0 HG2 ARG B 60 153.400 5.949 -8.461 1.00 0.43 H new ATOM 0 HG3 ARG B 60 152.289 5.499 -9.739 1.00 0.43 H new ATOM 0 HD2 ARG B 60 155.252 6.173 -10.049 1.00 0.57 H new ATOM 0 HD3 ARG B 60 154.497 4.611 -10.299 1.00 0.57 H new ATOM 0 HE ARG B 60 153.230 6.636 -12.016 1.00 1.30 H new ATOM 0 HH11 ARG B 60 155.861 4.398 -11.575 1.00 1.64 H new ATOM 0 HH12 ARG B 60 156.347 4.435 -13.273 1.00 1.64 H new ATOM 0 HH21 ARG B 60 153.886 6.745 -14.183 1.00 2.79 H new ATOM 0 HH22 ARG B 60 155.238 5.753 -14.737 1.00 2.79 H new ATOM 2364 N GLU B 61 150.737 10.003 -9.557 1.00 0.31 N ATOM 2365 CA GLU B 61 150.463 11.465 -9.636 1.00 0.30 C ATOM 2366 C GLU B 61 149.823 11.902 -8.309 1.00 0.28 C ATOM 2367 O GLU B 61 150.117 12.956 -7.784 1.00 0.28 O ATOM 2368 CB GLU B 61 149.501 11.750 -10.820 1.00 0.33 C ATOM 2369 CG GLU B 61 150.059 12.859 -11.722 1.00 1.25 C ATOM 2370 CD GLU B 61 149.060 13.153 -12.843 1.00 1.59 C ATOM 2371 OE1 GLU B 61 148.171 12.341 -13.045 1.00 2.03 O ATOM 2372 OE2 GLU B 61 149.201 14.183 -13.481 1.00 2.16 O ATOM 0 H GLU B 61 150.206 9.420 -10.204 1.00 0.31 H new ATOM 0 HA GLU B 61 151.386 12.021 -9.802 1.00 0.30 H new ATOM 0 HB2 GLU B 61 149.355 10.840 -11.403 1.00 0.33 H new ATOM 0 HB3 GLU B 61 148.524 12.044 -10.437 1.00 0.33 H new ATOM 0 HG2 GLU B 61 150.242 13.761 -11.138 1.00 1.25 H new ATOM 0 HG3 GLU B 61 151.016 12.553 -12.144 1.00 1.25 H new ATOM 2379 N TRP B 62 148.948 11.099 -7.771 1.00 0.27 N ATOM 2380 CA TRP B 62 148.288 11.469 -6.485 1.00 0.25 C ATOM 2381 C TRP B 62 149.307 11.546 -5.343 1.00 0.24 C ATOM 2382 O TRP B 62 149.340 12.500 -4.598 1.00 0.24 O ATOM 2383 CB TRP B 62 147.216 10.427 -6.123 1.00 0.24 C ATOM 2384 CG TRP B 62 146.743 10.680 -4.721 1.00 0.23 C ATOM 2385 CD1 TRP B 62 145.796 11.578 -4.363 1.00 0.24 C ATOM 2386 CD2 TRP B 62 147.218 10.069 -3.486 1.00 0.23 C ATOM 2387 NE1 TRP B 62 145.654 11.554 -2.984 1.00 0.24 N ATOM 2388 CE2 TRP B 62 146.507 10.640 -2.397 1.00 0.24 C ATOM 2389 CE3 TRP B 62 148.189 9.077 -3.206 1.00 0.24 C ATOM 2390 CZ2 TRP B 62 146.752 10.243 -1.073 1.00 0.25 C ATOM 2391 CZ3 TRP B 62 148.436 8.675 -1.876 1.00 0.26 C ATOM 2392 CH2 TRP B 62 147.718 9.257 -0.813 1.00 0.26 C ATOM 0 H TRP B 62 148.661 10.203 -8.165 1.00 0.27 H new ATOM 0 HA TRP B 62 147.829 12.449 -6.618 1.00 0.25 H new ATOM 0 HB2 TRP B 62 146.380 10.489 -6.820 1.00 0.24 H new ATOM 0 HB3 TRP B 62 147.626 9.420 -6.206 1.00 0.24 H new ATOM 0 HD1 TRP B 62 145.241 12.210 -5.041 1.00 0.24 H new ATOM 0 HE1 TRP B 62 144.999 12.140 -2.466 1.00 0.24 H new ATOM 0 HE3 TRP B 62 148.744 8.625 -4.015 1.00 0.24 H new ATOM 0 HZ2 TRP B 62 146.202 10.693 -0.260 1.00 0.25 H new ATOM 0 HZ3 TRP B 62 149.179 7.918 -1.672 1.00 0.26 H new ATOM 0 HH2 TRP B 62 147.910 8.945 0.203 1.00 0.26 H new ATOM 2403 N LEU B 63 150.130 10.553 -5.193 1.00 0.23 N ATOM 2404 CA LEU B 63 151.124 10.581 -4.085 1.00 0.23 C ATOM 2405 C LEU B 63 152.129 11.708 -4.322 1.00 0.24 C ATOM 2406 O LEU B 63 152.417 12.497 -3.444 1.00 0.25 O ATOM 2407 CB LEU B 63 151.849 9.230 -4.038 1.00 0.24 C ATOM 2408 CG LEU B 63 152.897 9.213 -2.913 1.00 0.25 C ATOM 2409 CD1 LEU B 63 152.219 9.374 -1.544 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.667 7.883 -2.955 1.00 0.34 C ATOM 0 H LEU B 63 150.160 9.724 -5.786 1.00 0.23 H new ATOM 0 HA LEU B 63 150.619 10.758 -3.136 1.00 0.23 H new ATOM 0 HB2 LEU B 63 151.126 8.429 -3.880 1.00 0.24 H new ATOM 0 HB3 LEU B 63 152.333 9.038 -4.996 1.00 0.24 H new ATOM 0 HG LEU B 63 153.587 10.044 -3.060 1.00 0.25 H new ATOM 0 HD11 LEU B 63 152.976 9.360 -0.759 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.682 10.322 -1.513 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.518 8.555 -1.387 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.411 7.868 -2.158 1.00 0.34 H new ATOM 0 HD22 LEU B 63 152.971 7.055 -2.817 1.00 0.34 H new ATOM 0 HD23 LEU B 63 154.166 7.781 -3.919 1.00 0.34 H new ATOM 2422 N LYS B 64 152.659 11.786 -5.505 1.00 0.25 N ATOM 2423 CA LYS B 64 153.644 12.856 -5.822 1.00 0.26 C ATOM 2424 C LYS B 64 152.999 14.234 -5.652 1.00 0.27 C ATOM 2425 O LYS B 64 153.543 15.115 -5.016 1.00 0.28 O ATOM 2426 CB LYS B 64 154.125 12.687 -7.264 1.00 0.27 C ATOM 2427 CG LYS B 64 155.140 13.781 -7.605 1.00 0.28 C ATOM 2428 CD LYS B 64 155.649 13.573 -9.033 1.00 0.65 C ATOM 2429 CE LYS B 64 156.402 14.825 -9.516 1.00 1.12 C ATOM 2430 NZ LYS B 64 157.476 14.415 -10.463 1.00 1.91 N ATOM 0 H LYS B 64 152.452 11.150 -6.275 1.00 0.25 H new ATOM 0 HA LYS B 64 154.491 12.778 -5.140 1.00 0.26 H new ATOM 0 HB2 LYS B 64 154.579 11.704 -7.393 1.00 0.27 H new ATOM 0 HB3 LYS B 64 153.278 12.739 -7.948 1.00 0.27 H new ATOM 0 HG2 LYS B 64 154.678 14.764 -7.511 1.00 0.28 H new ATOM 0 HG3 LYS B 64 155.973 13.752 -6.902 1.00 0.28 H new ATOM 0 HD2 LYS B 64 156.309 12.706 -9.069 1.00 0.65 H new ATOM 0 HD3 LYS B 64 154.812 13.364 -9.699 1.00 0.65 H new ATOM 0 HE2 LYS B 64 155.712 15.513 -10.005 1.00 1.12 H new ATOM 0 HE3 LYS B 64 156.832 15.356 -8.667 1.00 1.12 H new ATOM 0 HZ1 LYS B 64 157.988 15.258 -10.793 1.00 1.91 H new ATOM 0 HZ2 LYS B 64 158.138 13.774 -9.981 1.00 1.91 H new ATOM 0 HZ3 LYS B 64 157.053 13.927 -11.278 1.00 1.91 H new ATOM 2444 N ASP B 65 151.850 14.425 -6.235 1.00 0.28 N ATOM 2445 CA ASP B 65 151.164 15.744 -6.137 1.00 0.30 C ATOM 2446 C ASP B 65 150.713 15.988 -4.694 1.00 0.29 C ATOM 2447 O ASP B 65 150.587 17.114 -4.256 1.00 0.30 O ATOM 2448 CB ASP B 65 149.948 15.751 -7.071 1.00 0.32 C ATOM 2449 CG ASP B 65 149.502 17.191 -7.332 1.00 1.02 C ATOM 2450 OD1 ASP B 65 149.524 17.977 -6.400 1.00 1.69 O ATOM 2451 OD2 ASP B 65 149.145 17.484 -8.462 1.00 1.30 O ATOM 0 H ASP B 65 151.353 13.720 -6.779 1.00 0.28 H new ATOM 0 HA ASP B 65 151.853 16.536 -6.431 1.00 0.30 H new ATOM 0 HB2 ASP B 65 150.198 15.262 -8.012 1.00 0.32 H new ATOM 0 HB3 ASP B 65 149.132 15.183 -6.624 1.00 0.32 H new ATOM 2456 N THR B 66 150.447 14.942 -3.961 1.00 0.28 N ATOM 2457 CA THR B 66 149.976 15.109 -2.555 1.00 0.28 C ATOM 2458 C THR B 66 151.155 15.373 -1.609 1.00 0.29 C ATOM 2459 O THR B 66 150.999 16.073 -0.628 1.00 0.32 O ATOM 2460 CB THR B 66 149.224 13.835 -2.120 1.00 0.27 C ATOM 2461 OG1 THR B 66 148.123 13.636 -2.994 1.00 0.27 O ATOM 2462 CG2 THR B 66 148.685 13.954 -0.676 1.00 0.30 C ATOM 0 H THR B 66 150.536 13.976 -4.275 1.00 0.28 H new ATOM 0 HA THR B 66 149.307 15.968 -2.506 1.00 0.28 H new ATOM 0 HB THR B 66 149.922 12.999 -2.160 1.00 0.27 H new ATOM 0 HG1 THR B 66 148.370 12.991 -3.689 1.00 0.27 H new ATOM 0 HG21 THR B 66 148.161 13.037 -0.406 1.00 0.30 H new ATOM 0 HG22 THR B 66 149.516 14.113 0.011 1.00 0.30 H new ATOM 0 HG23 THR B 66 147.997 14.797 -0.613 1.00 0.30 H new ATOM 2470 N CYS B 67 152.322 14.810 -1.849 1.00 0.28 N ATOM 2471 CA CYS B 67 153.470 15.026 -0.900 1.00 0.30 C ATOM 2472 C CYS B 67 154.754 15.432 -1.628 1.00 0.30 C ATOM 2473 O CYS B 67 155.598 16.105 -1.072 1.00 0.35 O ATOM 2474 CB CYS B 67 153.727 13.723 -0.144 1.00 0.30 C ATOM 2475 SG CYS B 67 154.377 12.480 -1.287 1.00 0.30 S ATOM 0 H CYS B 67 152.528 14.216 -2.652 1.00 0.28 H new ATOM 0 HA CYS B 67 153.199 15.836 -0.223 1.00 0.30 H new ATOM 0 HB2 CYS B 67 154.436 13.894 0.666 1.00 0.30 H new ATOM 0 HB3 CYS B 67 152.803 13.366 0.311 1.00 0.30 H new ATOM 0 HG CYS B 67 153.699 12.513 -2.396 1.00 0.30 H new ATOM 2481 N GLY B 68 154.920 15.017 -2.859 1.00 0.27 N ATOM 2482 CA GLY B 68 156.165 15.366 -3.617 1.00 0.29 C ATOM 2483 C GLY B 68 157.065 14.131 -3.700 1.00 0.27 C ATOM 2484 O GLY B 68 158.220 14.220 -4.066 1.00 0.26 O ATOM 0 H GLY B 68 154.247 14.450 -3.374 1.00 0.27 H new ATOM 0 HA2 GLY B 68 155.910 15.713 -4.618 1.00 0.29 H new ATOM 0 HA3 GLY B 68 156.691 16.182 -3.121 1.00 0.29 H new ATOM 2488 N ALA B 69 156.547 12.976 -3.376 1.00 0.26 N ATOM 2489 CA ALA B 69 157.382 11.743 -3.453 1.00 0.25 C ATOM 2490 C ALA B 69 158.029 11.675 -4.832 1.00 0.25 C ATOM 2491 O ALA B 69 157.525 12.231 -5.788 1.00 0.26 O ATOM 2492 CB ALA B 69 156.503 10.510 -3.251 1.00 0.24 C ATOM 0 H ALA B 69 155.587 12.834 -3.063 1.00 0.26 H new ATOM 0 HA ALA B 69 158.147 11.770 -2.677 1.00 0.25 H new ATOM 0 HB1 ALA B 69 157.118 9.612 -3.308 1.00 0.24 H new ATOM 0 HB2 ALA B 69 156.024 10.561 -2.273 1.00 0.24 H new ATOM 0 HB3 ALA B 69 155.739 10.477 -4.028 1.00 0.24 H new ATOM 2498 N ASN B 70 159.140 11.008 -4.954 1.00 0.24 N ATOM 2499 CA ASN B 70 159.810 10.927 -6.281 1.00 0.25 C ATOM 2500 C ASN B 70 159.267 9.732 -7.059 1.00 0.25 C ATOM 2501 O ASN B 70 158.589 8.879 -6.521 1.00 0.24 O ATOM 2502 CB ASN B 70 161.314 10.740 -6.073 1.00 0.26 C ATOM 2503 CG ASN B 70 161.914 12.023 -5.500 1.00 1.14 C ATOM 2504 OD1 ASN B 70 161.285 12.704 -4.715 1.00 2.03 O ATOM 2505 ND2 ASN B 70 163.113 12.386 -5.864 1.00 1.82 N ATOM 0 H ASN B 70 159.613 10.516 -4.196 1.00 0.24 H new ATOM 0 HA ASN B 70 159.619 11.844 -6.839 1.00 0.25 H new ATOM 0 HB2 ASN B 70 161.497 9.906 -5.395 1.00 0.26 H new ATOM 0 HB3 ASN B 70 161.795 10.493 -7.020 1.00 0.26 H new ATOM 0 HD21 ASN B 70 163.523 13.242 -5.489 1.00 1.82 H new ATOM 0 HD22 ASN B 70 163.641 11.814 -6.523 1.00 1.82 H new ATOM 2512 N ALA B 71 159.573 9.660 -8.320 1.00 0.28 N ATOM 2513 CA ALA B 71 159.091 8.519 -9.138 1.00 0.30 C ATOM 2514 C ALA B 71 159.550 7.225 -8.474 1.00 0.28 C ATOM 2515 O ALA B 71 158.906 6.207 -8.557 1.00 0.29 O ATOM 2516 CB ALA B 71 159.703 8.616 -10.542 1.00 0.36 C ATOM 0 H ALA B 71 160.138 10.345 -8.821 1.00 0.28 H new ATOM 0 HA ALA B 71 158.004 8.537 -9.214 1.00 0.30 H new ATOM 0 HB1 ALA B 71 159.354 7.781 -11.150 1.00 0.36 H new ATOM 0 HB2 ALA B 71 159.401 9.554 -11.007 1.00 0.36 H new ATOM 0 HB3 ALA B 71 160.790 8.581 -10.468 1.00 0.36 H new ATOM 2522 N LYS B 72 160.688 7.266 -7.850 1.00 0.26 N ATOM 2523 CA LYS B 72 161.273 6.058 -7.204 1.00 0.25 C ATOM 2524 C LYS B 72 160.482 5.629 -5.959 1.00 0.24 C ATOM 2525 O LYS B 72 160.160 4.466 -5.782 1.00 0.25 O ATOM 2526 CB LYS B 72 162.691 6.465 -6.808 1.00 0.25 C ATOM 2527 CG LYS B 72 163.542 5.268 -6.397 1.00 1.45 C ATOM 2528 CD LYS B 72 164.993 5.755 -6.268 1.00 1.83 C ATOM 2529 CE LYS B 72 165.902 4.667 -5.675 1.00 2.96 C ATOM 2530 NZ LYS B 72 167.200 4.681 -6.407 1.00 3.61 N ATOM 0 H LYS B 72 161.255 8.109 -7.757 1.00 0.26 H new ATOM 0 HA LYS B 72 161.251 5.206 -7.883 1.00 0.25 H new ATOM 0 HB2 LYS B 72 163.167 6.977 -7.645 1.00 0.25 H new ATOM 0 HB3 LYS B 72 162.646 7.176 -5.983 1.00 0.25 H new ATOM 0 HG2 LYS B 72 163.191 4.855 -5.451 1.00 1.45 H new ATOM 0 HG3 LYS B 72 163.469 4.473 -7.139 1.00 1.45 H new ATOM 0 HD2 LYS B 72 165.368 6.049 -7.248 1.00 1.83 H new ATOM 0 HD3 LYS B 72 165.025 6.642 -5.635 1.00 1.83 H new ATOM 0 HE2 LYS B 72 166.065 4.848 -4.613 1.00 2.96 H new ATOM 0 HE3 LYS B 72 165.429 3.689 -5.763 1.00 2.96 H new ATOM 0 HZ1 LYS B 72 167.827 3.949 -6.016 1.00 3.61 H new ATOM 0 HZ2 LYS B 72 167.032 4.491 -7.416 1.00 3.61 H new ATOM 0 HZ3 LYS B 72 167.648 5.613 -6.301 1.00 3.61 H new ATOM 2544 N GLN B 73 160.201 6.545 -5.075 1.00 0.23 N ATOM 2545 CA GLN B 73 159.481 6.183 -3.823 1.00 0.23 C ATOM 2546 C GLN B 73 158.051 5.759 -4.123 1.00 0.24 C ATOM 2547 O GLN B 73 157.472 4.950 -3.425 1.00 0.24 O ATOM 2548 CB GLN B 73 159.489 7.381 -2.874 1.00 0.24 C ATOM 2549 CG GLN B 73 160.944 7.800 -2.624 1.00 0.26 C ATOM 2550 CD GLN B 73 161.043 8.632 -1.347 1.00 1.23 C ATOM 2551 OE1 GLN B 73 160.384 9.642 -1.208 1.00 2.13 O ATOM 2552 NE2 GLN B 73 161.852 8.239 -0.401 1.00 1.94 N ATOM 0 H GLN B 73 160.440 7.532 -5.166 1.00 0.23 H new ATOM 0 HA GLN B 73 159.989 5.341 -3.353 1.00 0.23 H new ATOM 0 HB2 GLN B 73 158.926 8.209 -3.305 1.00 0.24 H new ATOM 0 HB3 GLN B 73 159.003 7.121 -1.933 1.00 0.24 H new ATOM 0 HG2 GLN B 73 161.575 6.915 -2.540 1.00 0.26 H new ATOM 0 HG3 GLN B 73 161.315 8.376 -3.472 1.00 0.26 H new ATOM 0 HE21 GLN B 73 162.404 7.390 -0.522 1.00 1.94 H new ATOM 0 HE22 GLN B 73 161.932 8.781 0.459 1.00 1.94 H new ATOM 2561 N SER B 74 157.474 6.291 -5.155 1.00 0.27 N ATOM 2562 CA SER B 74 156.087 5.900 -5.483 1.00 0.28 C ATOM 2563 C SER B 74 156.078 4.450 -5.986 1.00 0.28 C ATOM 2564 O SER B 74 155.151 3.708 -5.724 1.00 0.27 O ATOM 2565 CB SER B 74 155.518 6.848 -6.534 1.00 0.34 C ATOM 2566 OG SER B 74 156.162 6.624 -7.780 1.00 1.46 O ATOM 0 H SER B 74 157.900 6.975 -5.781 1.00 0.27 H new ATOM 0 HA SER B 74 155.461 5.966 -4.593 1.00 0.28 H new ATOM 0 HB2 SER B 74 154.444 6.691 -6.635 1.00 0.34 H new ATOM 0 HB3 SER B 74 155.661 7.882 -6.220 1.00 0.34 H new ATOM 0 HG SER B 74 157.130 6.560 -7.641 1.00 1.46 H new ATOM 2572 N ARG B 75 157.103 4.023 -6.693 1.00 0.29 N ATOM 2573 CA ARG B 75 157.130 2.609 -7.178 1.00 0.30 C ATOM 2574 C ARG B 75 157.098 1.661 -5.988 1.00 0.27 C ATOM 2575 O ARG B 75 156.470 0.622 -6.036 1.00 0.28 O ATOM 2576 CB ARG B 75 158.397 2.326 -7.989 1.00 0.34 C ATOM 2577 CG ARG B 75 158.327 3.034 -9.341 1.00 0.43 C ATOM 2578 CD ARG B 75 159.356 2.428 -10.284 1.00 1.01 C ATOM 2579 NE ARG B 75 159.289 3.206 -11.562 1.00 1.47 N ATOM 2580 CZ ARG B 75 159.663 2.692 -12.690 1.00 2.04 C ATOM 2581 NH1 ARG B 75 159.970 1.425 -12.759 1.00 2.45 N ATOM 2582 NH2 ARG B 75 159.695 3.431 -13.764 1.00 2.81 N ATOM 0 H ARG B 75 157.912 4.589 -6.951 1.00 0.29 H new ATOM 0 HA ARG B 75 156.259 2.457 -7.815 1.00 0.30 H new ATOM 0 HB2 ARG B 75 159.274 2.665 -7.438 1.00 0.34 H new ATOM 0 HB3 ARG B 75 158.510 1.252 -8.138 1.00 0.34 H new ATOM 0 HG2 ARG B 75 157.327 2.935 -9.764 1.00 0.43 H new ATOM 0 HG3 ARG B 75 158.516 4.100 -9.216 1.00 0.43 H new ATOM 0 HD2 ARG B 75 160.355 2.482 -9.851 1.00 1.01 H new ATOM 0 HD3 ARG B 75 159.143 1.374 -10.462 1.00 1.01 H new ATOM 0 HE ARG B 75 158.940 4.164 -11.543 1.00 1.47 H new ATOM 0 HH11 ARG B 75 159.915 0.841 -11.925 1.00 2.45 H new ATOM 0 HH12 ARG B 75 160.265 1.019 -13.647 1.00 2.45 H new ATOM 0 HH21 ARG B 75 159.425 4.414 -13.715 1.00 2.81 H new ATOM 0 HH22 ARG B 75 159.990 3.026 -14.653 1.00 2.81 H new ATOM 2596 N ASP B 76 157.780 1.980 -4.924 1.00 0.23 N ATOM 2597 CA ASP B 76 157.800 1.072 -3.749 1.00 0.22 C ATOM 2598 C ASP B 76 156.413 1.013 -3.124 1.00 0.20 C ATOM 2599 O ASP B 76 155.957 -0.035 -2.711 1.00 0.21 O ATOM 2600 CB ASP B 76 158.810 1.593 -2.724 1.00 0.20 C ATOM 2601 CG ASP B 76 160.228 1.408 -3.267 1.00 0.22 C ATOM 2602 OD1 ASP B 76 160.399 0.591 -4.157 1.00 0.29 O ATOM 2603 OD2 ASP B 76 161.120 2.088 -2.785 1.00 0.28 O ATOM 0 H ASP B 76 158.326 2.835 -4.819 1.00 0.23 H new ATOM 0 HA ASP B 76 158.090 0.070 -4.066 1.00 0.22 H new ATOM 0 HB2 ASP B 76 158.623 2.647 -2.516 1.00 0.20 H new ATOM 0 HB3 ASP B 76 158.697 1.057 -1.781 1.00 0.20 H new ATOM 2608 N CYS B 77 155.723 2.116 -3.062 1.00 0.19 N ATOM 2609 CA CYS B 77 154.359 2.094 -2.477 1.00 0.18 C ATOM 2610 C CYS B 77 153.415 1.332 -3.411 1.00 0.19 C ATOM 2611 O CYS B 77 152.567 0.586 -2.970 1.00 0.19 O ATOM 2612 CB CYS B 77 153.860 3.529 -2.312 1.00 0.18 C ATOM 2613 SG CYS B 77 154.796 4.342 -0.995 1.00 0.18 S ATOM 0 H CYS B 77 156.044 3.027 -3.390 1.00 0.19 H new ATOM 0 HA CYS B 77 154.385 1.600 -1.506 1.00 0.18 H new ATOM 0 HB2 CYS B 77 153.977 4.076 -3.247 1.00 0.18 H new ATOM 0 HB3 CYS B 77 152.797 3.531 -2.072 1.00 0.18 H new ATOM 0 HG CYS B 77 155.158 3.460 -0.111 1.00 0.18 H new ATOM 2619 N PHE B 78 153.540 1.514 -4.697 1.00 0.21 N ATOM 2620 CA PHE B 78 152.621 0.795 -5.622 1.00 0.24 C ATOM 2621 C PHE B 78 152.777 -0.713 -5.436 1.00 0.25 C ATOM 2622 O PHE B 78 151.841 -1.406 -5.092 1.00 0.25 O ATOM 2623 CB PHE B 78 152.956 1.172 -7.068 1.00 0.26 C ATOM 2624 CG PHE B 78 152.032 0.438 -8.010 1.00 0.28 C ATOM 2625 CD1 PHE B 78 150.807 1.019 -8.390 1.00 0.28 C ATOM 2626 CD2 PHE B 78 152.399 -0.825 -8.514 1.00 0.32 C ATOM 2627 CE1 PHE B 78 149.947 0.336 -9.272 1.00 0.32 C ATOM 2628 CE2 PHE B 78 151.540 -1.508 -9.396 1.00 0.36 C ATOM 2629 CZ PHE B 78 150.314 -0.928 -9.775 1.00 0.35 C ATOM 0 H PHE B 78 154.229 2.121 -5.142 1.00 0.21 H new ATOM 0 HA PHE B 78 151.592 1.078 -5.401 1.00 0.24 H new ATOM 0 HB2 PHE B 78 152.853 2.248 -7.207 1.00 0.26 H new ATOM 0 HB3 PHE B 78 153.993 0.919 -7.289 1.00 0.26 H new ATOM 0 HD1 PHE B 78 150.527 1.988 -8.005 1.00 0.28 H new ATOM 0 HD2 PHE B 78 153.339 -1.270 -8.224 1.00 0.32 H new ATOM 0 HE1 PHE B 78 149.007 0.781 -9.563 1.00 0.32 H new ATOM 0 HE2 PHE B 78 151.821 -2.477 -9.782 1.00 0.36 H new ATOM 0 HZ PHE B 78 149.655 -1.452 -10.451 1.00 0.35 H new ATOM 2639 N GLY B 79 153.951 -1.230 -5.671 1.00 0.26 N ATOM 2640 CA GLY B 79 154.170 -2.695 -5.521 1.00 0.28 C ATOM 2641 C GLY B 79 153.967 -3.122 -4.064 1.00 0.25 C ATOM 2642 O GLY B 79 153.493 -4.201 -3.786 1.00 0.26 O ATOM 0 H GLY B 79 154.771 -0.698 -5.962 1.00 0.26 H new ATOM 0 HA2 GLY B 79 153.480 -3.240 -6.165 1.00 0.28 H new ATOM 0 HA3 GLY B 79 155.178 -2.953 -5.844 1.00 0.28 H new ATOM 2646 N CYS B 80 154.311 -2.285 -3.128 1.00 0.22 N ATOM 2647 CA CYS B 80 154.127 -2.668 -1.699 1.00 0.22 C ATOM 2648 C CYS B 80 152.638 -2.718 -1.361 1.00 0.20 C ATOM 2649 O CYS B 80 152.152 -3.678 -0.797 1.00 0.22 O ATOM 2650 CB CYS B 80 154.823 -1.645 -0.805 1.00 0.22 C ATOM 2651 SG CYS B 80 154.539 -2.065 0.932 1.00 0.25 S ATOM 0 H CYS B 80 154.709 -1.359 -3.286 1.00 0.22 H new ATOM 0 HA CYS B 80 154.562 -3.653 -1.532 1.00 0.22 H new ATOM 0 HB2 CYS B 80 155.892 -1.630 -1.016 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.443 -0.645 -1.015 1.00 0.22 H new ATOM 0 HG CYS B 80 154.121 -1.012 1.570 1.00 0.25 H new ATOM 2657 N LEU B 81 151.905 -1.705 -1.721 1.00 0.20 N ATOM 2658 CA LEU B 81 150.446 -1.732 -1.431 1.00 0.21 C ATOM 2659 C LEU B 81 149.791 -2.781 -2.330 1.00 0.22 C ATOM 2660 O LEU B 81 148.901 -3.500 -1.919 1.00 0.23 O ATOM 2661 CB LEU B 81 149.834 -0.365 -1.744 1.00 0.23 C ATOM 2662 CG LEU B 81 150.451 0.715 -0.839 1.00 0.23 C ATOM 2663 CD1 LEU B 81 150.010 2.110 -1.318 1.00 0.42 C ATOM 2664 CD2 LEU B 81 150.004 0.504 0.621 1.00 0.38 C ATOM 0 H LEU B 81 152.246 -0.870 -2.197 1.00 0.20 H new ATOM 0 HA LEU B 81 150.284 -1.972 -0.380 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.005 -0.113 -2.791 1.00 0.23 H new ATOM 0 HB3 LEU B 81 148.755 -0.400 -1.597 1.00 0.23 H new ATOM 0 HG LEU B 81 151.537 0.640 -0.892 1.00 0.23 H new ATOM 0 HD11 LEU B 81 150.450 2.872 -0.674 1.00 0.42 H new ATOM 0 HD12 LEU B 81 150.345 2.265 -2.344 1.00 0.42 H new ATOM 0 HD13 LEU B 81 148.923 2.182 -1.276 1.00 0.42 H new ATOM 0 HD21 LEU B 81 150.447 1.274 1.252 1.00 0.38 H new ATOM 0 HD22 LEU B 81 148.917 0.566 0.681 1.00 0.38 H new ATOM 0 HD23 LEU B 81 150.331 -0.478 0.963 1.00 0.38 H new ATOM 2676 N ARG B 82 150.213 -2.860 -3.564 1.00 0.24 N ATOM 2677 CA ARG B 82 149.599 -3.847 -4.495 1.00 0.27 C ATOM 2678 C ARG B 82 149.917 -5.284 -4.075 1.00 0.27 C ATOM 2679 O ARG B 82 149.072 -6.153 -4.153 1.00 0.28 O ATOM 2680 CB ARG B 82 150.102 -3.616 -5.919 1.00 0.30 C ATOM 2681 CG ARG B 82 149.378 -4.590 -6.850 1.00 0.41 C ATOM 2682 CD ARG B 82 149.776 -4.346 -8.294 1.00 0.95 C ATOM 2683 NE ARG B 82 148.866 -5.212 -9.118 1.00 1.34 N ATOM 2684 CZ ARG B 82 149.253 -5.798 -10.204 1.00 1.97 C ATOM 2685 NH1 ARG B 82 150.492 -5.696 -10.600 1.00 2.60 N ATOM 2686 NH2 ARG B 82 148.404 -6.511 -10.890 1.00 2.56 N ATOM 0 H ARG B 82 150.954 -2.285 -3.965 1.00 0.24 H new ATOM 0 HA ARG B 82 148.519 -3.705 -4.458 1.00 0.27 H new ATOM 0 HB2 ARG B 82 149.914 -2.587 -6.226 1.00 0.30 H new ATOM 0 HB3 ARG B 82 151.180 -3.772 -5.971 1.00 0.30 H new ATOM 0 HG2 ARG B 82 149.618 -5.616 -6.570 1.00 0.41 H new ATOM 0 HG3 ARG B 82 148.300 -4.473 -6.740 1.00 0.41 H new ATOM 0 HD2 ARG B 82 149.662 -3.295 -8.559 1.00 0.95 H new ATOM 0 HD3 ARG B 82 150.821 -4.606 -8.461 1.00 0.95 H new ATOM 0 HE ARG B 82 147.903 -5.343 -8.808 1.00 1.34 H new ATOM 0 HH11 ARG B 82 151.159 -5.153 -10.052 1.00 2.60 H new ATOM 0 HH12 ARG B 82 150.793 -6.160 -11.457 1.00 2.60 H new ATOM 0 HH21 ARG B 82 147.440 -6.604 -10.569 1.00 2.56 H new ATOM 0 HH22 ARG B 82 148.704 -6.975 -11.747 1.00 2.56 H new ATOM 2700 N GLU B 83 151.116 -5.560 -3.636 1.00 0.26 N ATOM 2701 CA GLU B 83 151.434 -6.961 -3.235 1.00 0.28 C ATOM 2702 C GLU B 83 150.680 -7.288 -1.962 1.00 0.26 C ATOM 2703 O GLU B 83 150.210 -8.393 -1.779 1.00 0.28 O ATOM 2704 CB GLU B 83 152.944 -7.152 -3.014 1.00 0.28 C ATOM 2705 CG GLU B 83 153.700 -7.197 -4.375 1.00 0.32 C ATOM 2706 CD GLU B 83 154.784 -8.283 -4.354 1.00 1.21 C ATOM 2707 OE1 GLU B 83 155.217 -8.647 -3.273 1.00 2.06 O ATOM 2708 OE2 GLU B 83 155.158 -8.733 -5.424 1.00 1.68 O ATOM 0 H GLU B 83 151.878 -4.889 -3.539 1.00 0.26 H new ATOM 0 HA GLU B 83 151.130 -7.633 -4.037 1.00 0.28 H new ATOM 0 HB2 GLU B 83 153.333 -6.337 -2.403 1.00 0.28 H new ATOM 0 HB3 GLU B 83 153.122 -8.076 -2.463 1.00 0.28 H new ATOM 0 HG2 GLU B 83 152.995 -7.395 -5.183 1.00 0.32 H new ATOM 0 HG3 GLU B 83 154.153 -6.227 -4.578 1.00 0.32 H new ATOM 2715 N TRP B 84 150.511 -6.337 -1.089 1.00 0.24 N ATOM 2716 CA TRP B 84 149.739 -6.618 0.136 1.00 0.24 C ATOM 2717 C TRP B 84 148.355 -7.047 -0.339 1.00 0.26 C ATOM 2718 O TRP B 84 147.844 -8.065 0.043 1.00 0.29 O ATOM 2719 CB TRP B 84 149.646 -5.330 0.970 1.00 0.24 C ATOM 2720 CG TRP B 84 148.927 -5.584 2.255 1.00 0.25 C ATOM 2721 CD1 TRP B 84 149.522 -5.907 3.425 1.00 0.29 C ATOM 2722 CD2 TRP B 84 147.499 -5.537 2.519 1.00 0.26 C ATOM 2723 NE1 TRP B 84 148.552 -6.066 4.398 1.00 0.31 N ATOM 2724 CE2 TRP B 84 147.283 -5.848 3.892 1.00 0.29 C ATOM 2725 CE3 TRP B 84 146.375 -5.260 1.709 1.00 0.26 C ATOM 2726 CZ2 TRP B 84 145.994 -5.877 4.437 1.00 0.32 C ATOM 2727 CZ3 TRP B 84 145.076 -5.297 2.254 1.00 0.30 C ATOM 2728 CH2 TRP B 84 144.888 -5.602 3.614 1.00 0.32 C ATOM 0 H TRP B 84 150.873 -5.387 -1.175 1.00 0.24 H new ATOM 0 HA TRP B 84 150.198 -7.389 0.755 1.00 0.24 H new ATOM 0 HB2 TRP B 84 150.647 -4.951 1.176 1.00 0.24 H new ATOM 0 HB3 TRP B 84 149.125 -4.560 0.402 1.00 0.24 H new ATOM 0 HD1 TRP B 84 150.585 -6.022 3.576 1.00 0.29 H new ATOM 0 HE1 TRP B 84 148.748 -6.313 5.368 1.00 0.31 H new ATOM 0 HE3 TRP B 84 146.512 -5.018 0.665 1.00 0.26 H new ATOM 0 HZ2 TRP B 84 145.850 -6.109 5.482 1.00 0.32 H new ATOM 0 HZ3 TRP B 84 144.222 -5.091 1.625 1.00 0.30 H new ATOM 0 HH2 TRP B 84 143.891 -5.625 4.027 1.00 0.32 H new ATOM 2739 N CYS B 85 147.786 -6.287 -1.226 1.00 0.28 N ATOM 2740 CA CYS B 85 146.443 -6.624 -1.774 1.00 0.32 C ATOM 2741 C CYS B 85 146.467 -8.016 -2.425 1.00 0.37 C ATOM 2742 O CYS B 85 145.538 -8.776 -2.309 1.00 0.41 O ATOM 2743 CB CYS B 85 146.070 -5.565 -2.817 1.00 0.34 C ATOM 2744 SG CYS B 85 145.528 -4.058 -1.973 1.00 0.32 S ATOM 0 H CYS B 85 148.199 -5.433 -1.602 1.00 0.28 H new ATOM 0 HA CYS B 85 145.707 -6.637 -0.970 1.00 0.32 H new ATOM 0 HB2 CYS B 85 146.927 -5.350 -3.456 1.00 0.34 H new ATOM 0 HB3 CYS B 85 145.276 -5.939 -3.464 1.00 0.34 H new ATOM 0 HG CYS B 85 145.213 -3.156 -2.855 1.00 0.32 H new ATOM 2750 N ASP B 86 147.506 -8.355 -3.120 1.00 0.39 N ATOM 2751 CA ASP B 86 147.559 -9.700 -3.772 1.00 0.46 C ATOM 2752 C ASP B 86 147.489 -10.823 -2.731 1.00 0.48 C ATOM 2753 O ASP B 86 146.911 -11.865 -2.969 1.00 0.50 O ATOM 2754 CB ASP B 86 148.856 -9.834 -4.558 1.00 0.49 C ATOM 2755 CG ASP B 86 148.802 -8.918 -5.779 1.00 0.49 C ATOM 2756 OD1 ASP B 86 147.705 -8.621 -6.224 1.00 0.59 O ATOM 2757 OD2 ASP B 86 149.857 -8.529 -6.248 1.00 0.52 O ATOM 0 H ASP B 86 148.325 -7.766 -3.270 1.00 0.39 H new ATOM 0 HA ASP B 86 146.701 -9.788 -4.439 1.00 0.46 H new ATOM 0 HB2 ASP B 86 149.706 -9.570 -3.928 1.00 0.49 H new ATOM 0 HB3 ASP B 86 149.000 -10.868 -4.871 1.00 0.49 H new ATOM 2762 N ALA B 87 148.071 -10.628 -1.582 1.00 0.50 N ATOM 2763 CA ALA B 87 148.033 -11.695 -0.539 1.00 0.53 C ATOM 2764 C ALA B 87 146.801 -11.473 0.312 1.00 0.53 C ATOM 2765 O ALA B 87 146.327 -12.349 1.009 1.00 0.58 O ATOM 2766 CB ALA B 87 149.296 -11.570 0.354 1.00 0.50 C ATOM 0 H ALA B 87 148.571 -9.779 -1.318 1.00 0.50 H new ATOM 0 HA ALA B 87 148.006 -12.683 -0.999 1.00 0.53 H new ATOM 0 HB1 ALA B 87 149.278 -12.345 1.120 1.00 0.50 H new ATOM 0 HB2 ALA B 87 150.189 -11.687 -0.260 1.00 0.50 H new ATOM 0 HB3 ALA B 87 149.309 -10.590 0.830 1.00 0.50 H new ATOM 2772 N PHE B 88 146.376 -10.252 0.343 1.00 0.48 N ATOM 2773 CA PHE B 88 145.275 -9.853 1.236 1.00 0.50 C ATOM 2774 C PHE B 88 143.987 -9.385 0.511 1.00 0.57 C ATOM 2775 O PHE B 88 143.026 -9.007 1.133 1.00 1.24 O ATOM 2776 CB PHE B 88 145.874 -8.668 2.071 1.00 0.44 C ATOM 2777 CG PHE B 88 146.980 -9.146 3.230 1.00 0.39 C ATOM 2778 CD1 PHE B 88 146.601 -9.815 4.519 1.00 0.41 C ATOM 2779 CD2 PHE B 88 148.374 -8.874 3.047 1.00 0.34 C ATOM 2780 CE1 PHE B 88 147.576 -10.151 5.466 1.00 0.38 C ATOM 2781 CE2 PHE B 88 149.310 -9.231 4.047 1.00 0.32 C ATOM 2782 CZ PHE B 88 148.908 -9.861 5.233 1.00 0.34 C ATOM 0 H PHE B 88 146.756 -9.497 -0.228 1.00 0.48 H new ATOM 0 HA PHE B 88 144.950 -10.710 1.826 1.00 0.50 H new ATOM 0 HB2 PHE B 88 146.356 -7.965 1.391 1.00 0.44 H new ATOM 0 HB3 PHE B 88 145.060 -8.133 2.559 1.00 0.44 H new ATOM 0 HD1 PHE B 88 145.564 -10.040 4.718 1.00 0.41 H new ATOM 0 HD2 PHE B 88 148.713 -8.394 2.141 1.00 0.34 H new ATOM 0 HE1 PHE B 88 147.286 -10.640 6.384 1.00 0.38 H new ATOM 0 HE2 PHE B 88 150.357 -9.013 3.893 1.00 0.32 H new ATOM 0 HZ PHE B 88 149.648 -10.123 5.974 1.00 0.34 H new ATOM 2792 N LEU B 89 143.966 -9.315 -0.769 1.00 0.43 N ATOM 2793 CA LEU B 89 142.735 -8.784 -1.446 1.00 0.43 C ATOM 2794 C LEU B 89 142.531 -9.486 -2.788 1.00 0.99 C ATOM 2795 O LEU B 89 143.321 -9.247 -3.685 1.00 1.76 O ATOM 2796 CB LEU B 89 142.961 -7.291 -1.660 1.00 0.72 C ATOM 2797 CG LEU B 89 141.656 -6.551 -2.002 1.00 0.49 C ATOM 2798 CD1 LEU B 89 140.774 -6.393 -0.747 1.00 0.85 C ATOM 2799 CD2 LEU B 89 142.035 -5.167 -2.523 1.00 1.26 C ATOM 2800 OXT LEU B 89 141.586 -10.250 -2.895 1.00 1.44 O ATOM 0 H LEU B 89 144.727 -9.593 -1.388 1.00 0.43 H new ATOM 0 HA LEU B 89 141.846 -8.961 -0.841 1.00 0.43 H new ATOM 0 HB2 LEU B 89 143.397 -6.858 -0.760 1.00 0.72 H new ATOM 0 HB3 LEU B 89 143.681 -7.146 -2.465 1.00 0.72 H new ATOM 0 HG LEU B 89 141.095 -7.116 -2.746 1.00 0.49 H new ATOM 0 HD11 LEU B 89 139.856 -5.867 -1.011 1.00 0.85 H new ATOM 0 HD12 LEU B 89 140.527 -7.377 -0.350 1.00 0.85 H new ATOM 0 HD13 LEU B 89 141.315 -5.822 0.008 1.00 0.85 H new ATOM 0 HD21 LEU B 89 141.131 -4.613 -2.776 1.00 1.26 H new ATOM 0 HD22 LEU B 89 142.588 -4.628 -1.754 1.00 1.26 H new ATOM 0 HD23 LEU B 89 142.657 -5.271 -3.412 1.00 1.26 H new