USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -139:sc= 1.17 (180deg=0.16) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 130:sc= 0.532 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.048) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.047) USER MOD Single : A 21 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.026) USER MOD Single : A 25 HIS : no HE2:sc= 0.86 K(o=0.86,f=-2.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -3:sc= 0.123 USER MOD Single : A 55 GLN : amide:sc= 0.498 K(o=0.5,f=-0.24) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00334) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.53 K(o=1.6,f=-5.3!) USER MOD Single : A 60 THR OG1 : rot -150:sc= 0.893 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.034) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -39:sc= 0.034 USER MOD Single : A 73 THR OG1 : rot -37:sc= 0.195 USER MOD Single : A 74 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.029) USER MOD Single : A 77 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.042) USER MOD Single : A 79 LYS NZ :NH3+ -129:sc= 0.279 (180deg=-0.0272) USER MOD Single : A 82 ASN : amide:sc= -0.071 K(o=-0.071,f=-3.1!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -101:sc= 0.739 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.013) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.6) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.784 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.0653 USER MOD Single : A 117 ASN : amide:sc= -0.0017 X(o=-0.0017,f=-0.0017) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.622 -7.401 15.513 1.00 0.00 N ATOM 28 CA PRO A 2 16.182 -8.630 14.831 1.00 0.00 C ATOM 29 C PRO A 2 16.955 -8.916 13.532 1.00 0.00 C ATOM 30 O PRO A 2 17.297 -10.065 13.242 1.00 0.00 O ATOM 31 CB PRO A 2 14.692 -8.416 14.546 1.00 0.00 C ATOM 32 CG PRO A 2 14.547 -6.899 14.426 1.00 0.00 C ATOM 33 CD PRO A 2 15.587 -6.368 15.413 1.00 0.00 C ATOM 0 HA PRO A 2 16.371 -9.501 15.458 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.386 -8.919 13.629 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.072 -8.813 15.350 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.744 -6.555 13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.541 -6.569 14.685 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.010 -5.426 15.063 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.136 -6.173 16.386 1.00 0.00 H new ATOM 41 N CYS A 3 17.225 -7.864 12.759 1.00 0.00 N ATOM 42 CA CYS A 3 17.881 -7.872 11.446 1.00 0.00 C ATOM 43 C CYS A 3 18.829 -6.660 11.314 1.00 0.00 C ATOM 44 O CYS A 3 18.923 -5.831 12.227 1.00 0.00 O ATOM 45 CB CYS A 3 16.821 -7.869 10.320 1.00 0.00 C ATOM 46 SG CYS A 3 15.115 -8.321 10.760 1.00 0.00 S ATOM 0 H CYS A 3 16.976 -6.919 13.051 1.00 0.00 H new ATOM 0 HA CYS A 3 18.476 -8.781 11.353 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.801 -6.871 9.882 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.158 -8.553 9.541 1.00 0.00 H new ATOM 51 N LYS A 4 19.512 -6.527 10.169 1.00 0.00 N ATOM 52 CA LYS A 4 20.388 -5.391 9.828 1.00 0.00 C ATOM 53 C LYS A 4 19.754 -4.542 8.722 1.00 0.00 C ATOM 54 O LYS A 4 19.404 -5.079 7.670 1.00 0.00 O ATOM 55 CB LYS A 4 21.758 -5.914 9.368 1.00 0.00 C ATOM 56 CG LYS A 4 22.463 -6.884 10.338 1.00 0.00 C ATOM 57 CD LYS A 4 22.839 -6.289 11.704 1.00 0.00 C ATOM 58 CE LYS A 4 23.914 -5.201 11.575 1.00 0.00 C ATOM 59 NZ LYS A 4 24.364 -4.717 12.907 1.00 0.00 N ATOM 0 H LYS A 4 19.471 -7.228 9.429 1.00 0.00 H new ATOM 0 HA LYS A 4 20.519 -4.768 10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.631 -6.416 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.414 -5.060 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.814 -7.744 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.370 -7.255 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.950 -5.868 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.201 -7.082 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.767 -5.595 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.519 -4.365 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.090 -3.983 12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.554 -4.319 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.763 -5.510 13.448 1.00 0.00 H new ATOM 73 N TYR A 5 19.635 -3.231 8.935 1.00 0.00 N ATOM 74 CA TYR A 5 19.006 -2.287 7.997 1.00 0.00 C ATOM 75 C TYR A 5 19.778 -0.963 7.854 1.00 0.00 C ATOM 76 O TYR A 5 20.595 -0.598 8.704 1.00 0.00 O ATOM 77 CB TYR A 5 17.580 -1.960 8.463 1.00 0.00 C ATOM 78 CG TYR A 5 16.608 -3.114 8.613 1.00 0.00 C ATOM 79 CD1 TYR A 5 15.768 -3.478 7.542 1.00 0.00 C ATOM 80 CD2 TYR A 5 16.455 -3.734 9.867 1.00 0.00 C ATOM 81 CE1 TYR A 5 14.726 -4.404 7.748 1.00 0.00 C ATOM 82 CE2 TYR A 5 15.400 -4.639 10.084 1.00 0.00 C ATOM 83 CZ TYR A 5 14.518 -4.961 9.029 1.00 0.00 C ATOM 84 OH TYR A 5 13.462 -5.790 9.251 1.00 0.00 O ATOM 0 H TYR A 5 19.980 -2.781 9.783 1.00 0.00 H new ATOM 0 HA TYR A 5 19.006 -2.782 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.649 -1.452 9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.151 -1.249 7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.923 -3.048 6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.149 -3.515 10.665 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.086 -4.688 6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 5 15.265 -5.087 11.057 1.00 0.00 H new ATOM 0 HH TYR A 5 13.774 -6.605 9.698 1.00 0.00 H new ATOM 94 N LYS A 6 19.459 -0.220 6.787 1.00 0.00 N ATOM 95 CA LYS A 6 19.965 1.119 6.441 1.00 0.00 C ATOM 96 C LYS A 6 18.922 2.211 6.730 1.00 0.00 C ATOM 97 O LYS A 6 17.717 1.946 6.748 1.00 0.00 O ATOM 98 CB LYS A 6 20.323 1.120 4.945 1.00 0.00 C ATOM 99 CG LYS A 6 21.368 0.051 4.559 1.00 0.00 C ATOM 100 CD LYS A 6 21.141 -0.468 3.136 1.00 0.00 C ATOM 101 CE LYS A 6 21.411 0.622 2.089 1.00 0.00 C ATOM 102 NZ LYS A 6 21.369 0.079 0.704 1.00 0.00 N ATOM 0 H LYS A 6 18.794 -0.560 6.092 1.00 0.00 H new ATOM 0 HA LYS A 6 20.841 1.339 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.416 0.956 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.704 2.104 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.369 0.475 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 6 21.317 -0.780 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.793 -1.321 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.115 -0.823 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.671 1.416 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.387 1.071 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.556 0.844 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.092 -0.661 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.429 -0.326 0.518 1.00 0.00 H new ATOM 116 N LEU A 7 19.391 3.448 6.901 1.00 0.00 N ATOM 117 CA LEU A 7 18.600 4.643 7.230 1.00 0.00 C ATOM 118 C LEU A 7 18.131 5.363 5.945 1.00 0.00 C ATOM 119 O LEU A 7 18.962 5.887 5.196 1.00 0.00 O ATOM 120 CB LEU A 7 19.483 5.544 8.129 1.00 0.00 C ATOM 121 CG LEU A 7 18.781 6.590 9.017 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.880 7.556 8.250 1.00 0.00 C ATOM 123 CD2 LEU A 7 17.960 5.936 10.130 1.00 0.00 C ATOM 0 H LEU A 7 20.385 3.658 6.810 1.00 0.00 H new ATOM 0 HA LEU A 7 17.689 4.377 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.070 4.895 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.187 6.071 7.485 1.00 0.00 H new ATOM 0 HG LEU A 7 19.600 7.168 9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.424 8.259 8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.474 8.104 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.099 6.995 7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.482 6.709 10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.196 5.295 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.616 5.337 10.762 1.00 0.00 H new ATOM 135 N LYS A 8 16.814 5.393 5.673 1.00 0.00 N ATOM 136 CA LYS A 8 16.210 6.044 4.490 1.00 0.00 C ATOM 137 C LYS A 8 14.948 6.864 4.829 1.00 0.00 C ATOM 138 O LYS A 8 13.861 6.316 5.008 1.00 0.00 O ATOM 139 CB LYS A 8 15.964 4.971 3.410 1.00 0.00 C ATOM 140 CG LYS A 8 15.339 5.497 2.104 1.00 0.00 C ATOM 141 CD LYS A 8 16.220 6.506 1.356 1.00 0.00 C ATOM 142 CE LYS A 8 15.507 6.947 0.072 1.00 0.00 C ATOM 143 NZ LYS A 8 16.304 7.945 -0.686 1.00 0.00 N ATOM 0 H LYS A 8 16.122 4.956 6.282 1.00 0.00 H new ATOM 0 HA LYS A 8 16.908 6.785 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.913 4.490 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.312 4.202 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.131 4.653 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.382 5.965 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.421 7.370 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.183 6.057 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.320 6.077 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.536 7.373 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.789 8.219 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.461 8.786 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.221 7.530 -0.948 1.00 0.00 H new ATOM 157 N LYS A 9 15.087 8.193 4.892 1.00 0.00 N ATOM 158 CA LYS A 9 13.981 9.161 5.067 1.00 0.00 C ATOM 159 C LYS A 9 13.620 9.843 3.741 1.00 0.00 C ATOM 160 O LYS A 9 14.509 10.138 2.937 1.00 0.00 O ATOM 161 CB LYS A 9 14.379 10.229 6.105 1.00 0.00 C ATOM 162 CG LYS A 9 14.751 9.684 7.494 1.00 0.00 C ATOM 163 CD LYS A 9 13.561 9.084 8.261 1.00 0.00 C ATOM 164 CE LYS A 9 13.988 8.457 9.598 1.00 0.00 C ATOM 165 NZ LYS A 9 14.567 9.452 10.543 1.00 0.00 N ATOM 0 H LYS A 9 15.998 8.646 4.821 1.00 0.00 H new ATOM 0 HA LYS A 9 13.107 8.612 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.226 10.794 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.552 10.930 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.521 8.921 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.185 10.489 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.821 9.862 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.078 8.326 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.125 7.981 10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.721 7.673 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.775 8.989 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.445 9.840 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.886 10.223 10.696 1.00 0.00 H new ATOM 179 N SER A 10 12.335 10.150 3.557 1.00 0.00 N ATOM 180 CA SER A 10 11.774 10.908 2.424 1.00 0.00 C ATOM 181 C SER A 10 10.584 11.775 2.870 1.00 0.00 C ATOM 182 O SER A 10 10.070 11.626 3.982 1.00 0.00 O ATOM 183 CB SER A 10 11.321 9.947 1.311 1.00 0.00 C ATOM 184 OG SER A 10 12.418 9.235 0.756 1.00 0.00 O ATOM 0 H SER A 10 11.617 9.865 4.224 1.00 0.00 H new ATOM 0 HA SER A 10 12.557 11.563 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.594 9.241 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.818 10.511 0.526 1.00 0.00 H new ATOM 0 HG SER A 10 12.095 8.633 0.054 1.00 0.00 H new ATOM 190 N THR A 11 10.103 12.676 2.007 1.00 0.00 N ATOM 191 CA THR A 11 8.899 13.487 2.278 1.00 0.00 C ATOM 192 C THR A 11 8.095 13.721 0.998 1.00 0.00 C ATOM 193 O THR A 11 8.511 14.498 0.138 1.00 0.00 O ATOM 194 CB THR A 11 9.229 14.831 2.951 1.00 0.00 C ATOM 195 OG1 THR A 11 10.172 14.696 3.996 1.00 0.00 O ATOM 196 CG2 THR A 11 7.956 15.406 3.569 1.00 0.00 C ATOM 0 H THR A 11 10.532 12.867 1.102 1.00 0.00 H new ATOM 0 HA THR A 11 8.293 12.913 2.979 1.00 0.00 H new ATOM 0 HB THR A 11 9.645 15.478 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.350 15.575 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.182 16.359 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.210 15.560 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.566 14.710 4.312 1.00 0.00 H new ATOM 204 N ASN A 12 6.973 13.009 0.840 1.00 0.00 N ATOM 205 CA ASN A 12 6.181 12.943 -0.401 1.00 0.00 C ATOM 206 C ASN A 12 4.819 12.237 -0.216 1.00 0.00 C ATOM 207 O ASN A 12 4.551 11.663 0.838 1.00 0.00 O ATOM 208 CB ASN A 12 7.025 12.255 -1.500 1.00 0.00 C ATOM 209 CG ASN A 12 7.689 10.947 -1.094 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.864 10.724 -1.341 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.995 10.029 -0.468 1.00 0.00 N ATOM 0 H ASN A 12 6.577 12.445 1.592 1.00 0.00 H new ATOM 0 HA ASN A 12 5.941 13.963 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.384 12.065 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.799 12.949 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.438 9.151 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.012 10.193 -0.251 1.00 0.00 H new ATOM 218 N LYS A 13 3.978 12.259 -1.257 1.00 0.00 N ATOM 219 CA LYS A 13 2.724 11.493 -1.413 1.00 0.00 C ATOM 220 C LYS A 13 2.915 9.968 -1.457 1.00 0.00 C ATOM 221 O LYS A 13 4.040 9.465 -1.487 1.00 0.00 O ATOM 222 CB LYS A 13 1.956 11.996 -2.652 1.00 0.00 C ATOM 223 CG LYS A 13 2.760 12.295 -3.926 1.00 0.00 C ATOM 224 CD LYS A 13 2.988 13.799 -4.118 1.00 0.00 C ATOM 225 CE LYS A 13 3.557 14.067 -5.516 1.00 0.00 C ATOM 226 NZ LYS A 13 3.801 15.517 -5.739 1.00 0.00 N ATOM 0 H LYS A 13 4.162 12.849 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 13 2.136 11.675 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.200 11.251 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.426 12.906 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.722 11.785 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.232 11.894 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.049 14.337 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.676 14.171 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.490 13.517 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.863 13.694 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.186 15.661 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.906 16.038 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.482 15.867 -5.035 1.00 0.00 H new ATOM 240 N PHE A 14 1.805 9.233 -1.506 1.00 0.00 N ATOM 241 CA PHE A 14 1.737 7.768 -1.601 1.00 0.00 C ATOM 242 C PHE A 14 0.563 7.308 -2.480 1.00 0.00 C ATOM 243 O PHE A 14 -0.501 7.928 -2.513 1.00 0.00 O ATOM 244 CB PHE A 14 1.655 7.153 -0.190 1.00 0.00 C ATOM 245 CG PHE A 14 0.638 7.809 0.731 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.731 7.495 0.631 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.063 8.772 1.665 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.672 8.180 1.420 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.122 9.446 2.460 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.248 9.179 2.315 1.00 0.00 C ATOM 0 H PHE A 14 0.880 9.661 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 14 2.648 7.415 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.411 6.095 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.639 7.213 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.059 6.726 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.115 8.993 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.722 7.939 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.454 10.173 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.973 9.738 2.888 1.00 0.00 H new ATOM 260 N CYS A 15 0.761 6.217 -3.222 1.00 0.00 N ATOM 261 CA CYS A 15 -0.257 5.598 -4.072 1.00 0.00 C ATOM 262 C CYS A 15 -0.802 4.319 -3.427 1.00 0.00 C ATOM 263 O CYS A 15 -0.061 3.530 -2.835 1.00 0.00 O ATOM 264 CB CYS A 15 0.308 5.325 -5.469 1.00 0.00 C ATOM 265 SG CYS A 15 -0.950 4.844 -6.687 1.00 0.00 S ATOM 0 H CYS A 15 1.656 5.728 -3.249 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.091 6.292 -4.177 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.821 6.219 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.055 4.534 -5.400 1.00 0.00 H new ATOM 270 N VAL A 16 -2.109 4.113 -3.572 1.00 0.00 N ATOM 271 CA VAL A 16 -2.895 3.028 -2.941 1.00 0.00 C ATOM 272 C VAL A 16 -4.072 2.581 -3.834 1.00 0.00 C ATOM 273 O VAL A 16 -4.256 3.119 -4.926 1.00 0.00 O ATOM 274 CB VAL A 16 -3.405 3.461 -1.546 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.316 3.609 -0.487 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.198 4.765 -1.585 1.00 0.00 C ATOM 0 H VAL A 16 -2.685 4.719 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.231 2.173 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.052 2.632 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.766 3.915 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.806 2.655 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.597 4.363 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.530 5.019 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.565 5.564 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.066 4.644 -2.234 1.00 0.00 H new ATOM 286 N THR A 17 -4.896 1.627 -3.379 1.00 0.00 N ATOM 287 CA THR A 17 -6.103 1.132 -4.087 1.00 0.00 C ATOM 288 C THR A 17 -7.342 1.169 -3.182 1.00 0.00 C ATOM 289 O THR A 17 -7.377 0.462 -2.175 1.00 0.00 O ATOM 290 CB THR A 17 -5.894 -0.308 -4.592 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.632 -0.467 -5.205 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.936 -0.733 -5.618 1.00 0.00 C ATOM 0 H THR A 17 -4.744 1.160 -2.485 1.00 0.00 H new ATOM 0 HA THR A 17 -6.266 1.796 -4.936 1.00 0.00 H new ATOM 0 HB THR A 17 -5.978 -0.929 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.532 -1.392 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.737 -1.756 -5.937 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.929 -0.679 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.889 -0.069 -6.481 1.00 0.00 H new ATOM 300 N CYS A 18 -8.358 1.982 -3.515 1.00 0.00 N ATOM 301 CA CYS A 18 -9.644 2.007 -2.805 1.00 0.00 C ATOM 302 C CYS A 18 -10.612 0.950 -3.342 1.00 0.00 C ATOM 303 O CYS A 18 -10.845 0.847 -4.545 1.00 0.00 O ATOM 304 CB CYS A 18 -10.302 3.395 -2.857 1.00 0.00 C ATOM 305 SG CYS A 18 -9.916 4.465 -1.455 1.00 0.00 S ATOM 0 H CYS A 18 -8.308 2.644 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.422 1.773 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.992 3.895 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.383 3.268 -2.913 1.00 0.00 H new ATOM 310 N GLU A 19 -11.228 0.206 -2.429 1.00 0.00 N ATOM 311 CA GLU A 19 -12.281 -0.769 -2.701 1.00 0.00 C ATOM 312 C GLU A 19 -13.389 -0.591 -1.656 1.00 0.00 C ATOM 313 O GLU A 19 -13.151 -0.743 -0.457 1.00 0.00 O ATOM 314 CB GLU A 19 -11.697 -2.192 -2.689 1.00 0.00 C ATOM 315 CG GLU A 19 -12.686 -3.191 -3.306 1.00 0.00 C ATOM 316 CD GLU A 19 -12.252 -4.650 -3.065 1.00 0.00 C ATOM 317 OE1 GLU A 19 -12.635 -5.226 -2.018 1.00 0.00 O ATOM 318 OE2 GLU A 19 -11.564 -5.240 -3.932 1.00 0.00 O ATOM 0 H GLU A 19 -10.998 0.268 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.708 -0.609 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.760 -2.210 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.466 -2.487 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.677 -3.032 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.766 -3.008 -4.378 1.00 0.00 H new ATOM 325 N ASN A 20 -14.593 -0.226 -2.105 1.00 0.00 N ATOM 326 CA ASN A 20 -15.723 0.169 -1.249 1.00 0.00 C ATOM 327 C ASN A 20 -15.366 1.350 -0.308 1.00 0.00 C ATOM 328 O ASN A 20 -15.532 1.287 0.911 1.00 0.00 O ATOM 329 CB ASN A 20 -16.330 -1.063 -0.538 1.00 0.00 C ATOM 330 CG ASN A 20 -17.071 -2.008 -1.470 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.291 -2.090 -1.460 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.378 -2.747 -2.308 1.00 0.00 N ATOM 0 H ASN A 20 -14.818 -0.195 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.515 0.567 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.532 -1.612 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.015 -0.722 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.858 -3.383 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.360 -2.684 -2.322 1.00 0.00 H new ATOM 339 N GLN A 21 -14.916 2.460 -0.912 1.00 0.00 N ATOM 340 CA GLN A 21 -14.709 3.790 -0.308 1.00 0.00 C ATOM 341 C GLN A 21 -13.611 3.852 0.774 1.00 0.00 C ATOM 342 O GLN A 21 -13.645 4.710 1.660 1.00 0.00 O ATOM 343 CB GLN A 21 -16.042 4.386 0.194 1.00 0.00 C ATOM 344 CG GLN A 21 -17.168 4.393 -0.850 1.00 0.00 C ATOM 345 CD GLN A 21 -18.161 3.252 -0.664 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.784 3.073 0.374 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.379 2.454 -1.681 1.00 0.00 N ATOM 0 H GLN A 21 -14.670 2.455 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.326 4.413 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.374 3.820 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.866 5.409 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.700 5.343 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.732 4.329 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.869 2.589 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.059 1.698 -1.600 1.00 0.00 H new ATOM 356 N ALA A 22 -12.638 2.940 0.722 1.00 0.00 N ATOM 357 CA ALA A 22 -11.590 2.789 1.716 1.00 0.00 C ATOM 358 C ALA A 22 -10.380 2.062 1.091 1.00 0.00 C ATOM 359 O ALA A 22 -10.562 1.063 0.387 1.00 0.00 O ATOM 360 CB ALA A 22 -12.180 2.010 2.896 1.00 0.00 C ATOM 0 H ALA A 22 -12.561 2.267 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.233 3.757 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.417 1.878 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.022 2.563 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.522 1.033 2.553 1.00 0.00 H new ATOM 366 N PRO A 23 -9.150 2.567 1.280 1.00 0.00 N ATOM 367 CA PRO A 23 -7.941 1.980 0.714 1.00 0.00 C ATOM 368 C PRO A 23 -7.478 0.709 1.444 1.00 0.00 C ATOM 369 O PRO A 23 -6.999 0.754 2.575 1.00 0.00 O ATOM 370 CB PRO A 23 -6.927 3.118 0.700 1.00 0.00 C ATOM 371 CG PRO A 23 -7.334 3.967 1.898 1.00 0.00 C ATOM 372 CD PRO A 23 -8.852 3.849 1.899 1.00 0.00 C ATOM 0 HA PRO A 23 -8.103 1.599 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.906 2.748 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.973 3.686 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.899 3.593 2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.009 5.002 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.247 3.894 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.308 4.668 1.342 1.00 0.00 H new ATOM 380 N VAL A 24 -7.616 -0.440 0.774 1.00 0.00 N ATOM 381 CA VAL A 24 -7.239 -1.786 1.248 1.00 0.00 C ATOM 382 C VAL A 24 -6.008 -2.348 0.519 1.00 0.00 C ATOM 383 O VAL A 24 -5.779 -3.553 0.556 1.00 0.00 O ATOM 384 CB VAL A 24 -8.435 -2.777 1.228 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.707 -2.150 1.813 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.814 -3.298 -0.162 1.00 0.00 C ATOM 0 H VAL A 24 -8.015 -0.463 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.949 -1.668 2.292 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.074 -3.609 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.519 -2.876 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.525 -1.855 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.982 -1.272 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.658 -3.982 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.090 -2.460 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.964 -3.823 -0.598 1.00 0.00 H new ATOM 396 N HIS A 25 -5.204 -1.519 -0.168 1.00 0.00 N ATOM 397 CA HIS A 25 -3.945 -1.965 -0.799 1.00 0.00 C ATOM 398 C HIS A 25 -2.945 -0.824 -0.939 1.00 0.00 C ATOM 399 O HIS A 25 -3.340 0.298 -1.253 1.00 0.00 O ATOM 400 CB HIS A 25 -4.231 -2.537 -2.198 1.00 0.00 C ATOM 401 CG HIS A 25 -3.307 -3.649 -2.621 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.132 -3.531 -3.343 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.559 -4.975 -2.442 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.698 -4.776 -3.624 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.561 -5.671 -3.100 1.00 0.00 N ATOM 0 H HIS A 25 -5.404 -0.528 -0.302 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.515 -2.730 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.257 -2.905 -2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.164 -1.729 -2.927 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.677 -2.659 -3.614 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.383 -5.403 -1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.804 -5.018 -4.179 1.00 0.00 H new ATOM 414 N PHE A 26 -1.654 -1.115 -0.788 1.00 0.00 N ATOM 415 CA PHE A 26 -0.569 -0.188 -1.125 1.00 0.00 C ATOM 416 C PHE A 26 -0.171 -0.356 -2.602 1.00 0.00 C ATOM 417 O PHE A 26 -0.300 -1.448 -3.161 1.00 0.00 O ATOM 418 CB PHE A 26 0.601 -0.449 -0.154 1.00 0.00 C ATOM 419 CG PHE A 26 1.782 0.509 -0.225 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.581 1.904 -0.244 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.100 0.006 -0.212 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.679 2.779 -0.296 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.198 0.881 -0.276 1.00 0.00 C ATOM 424 CZ PHE A 26 3.987 2.268 -0.328 1.00 0.00 C ATOM 0 H PHE A 26 -1.326 -2.010 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.885 0.849 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.209 -0.429 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.972 -1.458 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.578 2.302 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.266 -1.059 -0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.517 3.847 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.203 0.487 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.829 2.941 -0.393 1.00 0.00 H new ATOM 434 N VAL A 27 0.288 0.715 -3.255 1.00 0.00 N ATOM 435 CA VAL A 27 0.787 0.675 -4.649 1.00 0.00 C ATOM 436 C VAL A 27 2.211 1.223 -4.778 1.00 0.00 C ATOM 437 O VAL A 27 3.035 0.608 -5.459 1.00 0.00 O ATOM 438 CB VAL A 27 -0.166 1.410 -5.614 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.341 1.402 -7.061 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.570 0.803 -5.632 1.00 0.00 C ATOM 0 H VAL A 27 0.328 1.644 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 27 0.817 -0.377 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.202 2.430 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.367 1.932 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.312 1.895 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.439 0.373 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.198 1.359 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.512 -0.238 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.002 0.855 -4.632 1.00 0.00 H new ATOM 450 N GLY A 28 2.522 2.368 -4.164 1.00 0.00 N ATOM 451 CA GLY A 28 3.829 3.015 -4.312 1.00 0.00 C ATOM 452 C GLY A 28 3.989 4.293 -3.492 1.00 0.00 C ATOM 453 O GLY A 28 3.090 4.711 -2.764 1.00 0.00 O ATOM 0 H GLY A 28 1.878 2.871 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.607 2.309 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.989 3.249 -5.364 1.00 0.00 H new ATOM 457 N VAL A 29 5.157 4.921 -3.606 1.00 0.00 N ATOM 458 CA VAL A 29 5.588 6.076 -2.805 1.00 0.00 C ATOM 459 C VAL A 29 6.164 7.175 -3.705 1.00 0.00 C ATOM 460 O VAL A 29 7.114 6.949 -4.454 1.00 0.00 O ATOM 461 CB VAL A 29 6.535 5.617 -1.676 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.769 4.830 -2.133 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.993 6.802 -0.832 1.00 0.00 C ATOM 0 H VAL A 29 5.861 4.631 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 29 4.728 6.528 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 29 5.930 4.926 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.367 4.555 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.452 3.927 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.366 5.447 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.659 6.451 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.522 7.516 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.125 7.287 -0.385 1.00 0.00 H new ATOM 473 N GLY A 30 5.534 8.357 -3.694 1.00 0.00 N ATOM 474 CA GLY A 30 5.844 9.467 -4.610 1.00 0.00 C ATOM 475 C GLY A 30 5.370 9.262 -6.062 1.00 0.00 C ATOM 476 O GLY A 30 5.626 10.110 -6.917 1.00 0.00 O ATOM 0 H GLY A 30 4.783 8.574 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.390 10.378 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.922 9.625 -4.614 1.00 0.00 H new ATOM 480 N SER A 31 4.694 8.144 -6.345 1.00 0.00 N ATOM 481 CA SER A 31 4.258 7.647 -7.657 1.00 0.00 C ATOM 482 C SER A 31 3.377 6.398 -7.483 1.00 0.00 C ATOM 483 O SER A 31 3.305 5.827 -6.389 1.00 0.00 O ATOM 484 CB SER A 31 5.468 7.305 -8.546 1.00 0.00 C ATOM 485 OG SER A 31 6.244 6.250 -7.996 1.00 0.00 O ATOM 0 H SER A 31 4.413 7.508 -5.599 1.00 0.00 H new ATOM 0 HA SER A 31 3.681 8.434 -8.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.121 7.021 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.092 8.190 -8.667 1.00 0.00 H new ATOM 0 HG SER A 31 7.002 6.059 -8.587 1.00 0.00 H new ATOM 491 N CYS A 32 2.720 5.953 -8.555 1.00 0.00 N ATOM 492 CA CYS A 32 2.096 4.640 -8.665 1.00 0.00 C ATOM 493 C CYS A 32 2.973 3.739 -9.551 1.00 0.00 C ATOM 494 O CYS A 32 3.545 4.194 -10.548 1.00 0.00 O ATOM 495 CB CYS A 32 0.701 4.792 -9.286 1.00 0.00 C ATOM 496 SG CYS A 32 -0.469 5.850 -8.392 1.00 0.00 S ATOM 0 H CYS A 32 2.606 6.518 -9.397 1.00 0.00 H new ATOM 0 HA CYS A 32 1.999 4.189 -7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.818 5.188 -10.295 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.260 3.800 -9.382 1.00 0.00 H new ATOM 707 N ASP A 50 -8.425 -5.708 5.161 1.00 0.00 N ATOM 708 CA ASP A 50 -9.257 -4.528 4.972 1.00 0.00 C ATOM 709 C ASP A 50 -8.482 -3.246 5.336 1.00 0.00 C ATOM 710 O ASP A 50 -7.337 -3.272 5.792 1.00 0.00 O ATOM 711 CB ASP A 50 -10.550 -4.680 5.800 1.00 0.00 C ATOM 712 CG ASP A 50 -10.286 -4.971 7.287 1.00 0.00 C ATOM 713 OD1 ASP A 50 -9.703 -4.100 7.967 1.00 0.00 O ATOM 714 OD2 ASP A 50 -10.691 -6.055 7.774 1.00 0.00 O ATOM 0 HA ASP A 50 -9.532 -4.438 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.138 -3.766 5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.150 -5.487 5.379 1.00 0.00 H new ATOM 719 N TRP A 51 -9.122 -2.101 5.116 1.00 0.00 N ATOM 720 CA TRP A 51 -8.613 -0.762 5.428 1.00 0.00 C ATOM 721 C TRP A 51 -8.313 -0.564 6.926 1.00 0.00 C ATOM 722 O TRP A 51 -7.364 0.135 7.290 1.00 0.00 O ATOM 723 CB TRP A 51 -9.620 0.282 4.918 1.00 0.00 C ATOM 724 CG TRP A 51 -9.749 1.516 5.759 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.762 1.787 6.613 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.798 2.611 5.899 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.518 2.993 7.242 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.323 3.549 6.833 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.524 2.885 5.359 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.643 4.727 7.175 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.828 4.058 5.701 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.387 4.984 6.596 1.00 0.00 C ATOM 0 H TRP A 51 -10.052 -2.076 4.697 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.656 -0.637 4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.331 0.579 3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.600 -0.190 4.843 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.626 1.160 6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.144 3.420 7.925 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.076 2.183 4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.078 5.427 7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.855 4.248 5.272 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.854 5.891 6.839 1.00 0.00 H new ATOM 743 N LEU A 52 -9.106 -1.175 7.812 1.00 0.00 N ATOM 744 CA LEU A 52 -8.926 -1.071 9.260 1.00 0.00 C ATOM 745 C LEU A 52 -7.565 -1.658 9.680 1.00 0.00 C ATOM 746 O LEU A 52 -6.831 -1.015 10.428 1.00 0.00 O ATOM 747 CB LEU A 52 -10.131 -1.718 9.982 1.00 0.00 C ATOM 748 CG LEU A 52 -10.679 -0.960 11.205 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.635 -0.769 12.305 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.275 0.402 10.836 1.00 0.00 C ATOM 0 H LEU A 52 -9.896 -1.760 7.540 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.903 -0.024 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.940 -1.835 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.842 -2.719 10.301 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.474 -1.598 11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.081 -0.229 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.286 -1.743 12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.793 -0.199 11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.646 0.893 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.507 1.023 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.097 0.261 10.134 1.00 0.00 H new ATOM 762 N THR A 53 -7.179 -2.824 9.149 1.00 0.00 N ATOM 763 CA THR A 53 -5.848 -3.418 9.379 1.00 0.00 C ATOM 764 C THR A 53 -4.729 -2.811 8.521 1.00 0.00 C ATOM 765 O THR A 53 -3.588 -2.765 8.981 1.00 0.00 O ATOM 766 CB THR A 53 -5.862 -4.945 9.213 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.317 -5.350 7.941 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.756 -5.611 10.261 1.00 0.00 C ATOM 0 H THR A 53 -7.779 -3.387 8.546 1.00 0.00 H new ATOM 0 HA THR A 53 -5.618 -3.171 10.416 1.00 0.00 H new ATOM 0 HB THR A 53 -4.826 -5.259 9.339 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.590 -4.563 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.744 -6.691 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.385 -5.375 11.258 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.776 -5.242 10.156 1.00 0.00 H new ATOM 776 N PHE A 54 -5.028 -2.260 7.337 1.00 0.00 N ATOM 777 CA PHE A 54 -4.081 -1.564 6.443 1.00 0.00 C ATOM 778 C PHE A 54 -3.293 -0.458 7.154 1.00 0.00 C ATOM 779 O PHE A 54 -2.074 -0.358 6.994 1.00 0.00 O ATOM 780 CB PHE A 54 -4.857 -0.997 5.242 1.00 0.00 C ATOM 781 CG PHE A 54 -4.082 -0.077 4.322 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.335 -0.604 3.254 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.131 1.317 4.520 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.626 0.261 2.404 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.432 2.182 3.660 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.674 1.651 2.605 1.00 0.00 C ATOM 0 H PHE A 54 -5.974 -2.286 6.956 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.341 -2.289 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.235 -1.832 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.724 -0.454 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.306 -1.671 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.709 1.723 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.041 -0.144 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.478 3.250 3.811 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.127 2.311 1.947 1.00 0.00 H new ATOM 796 N GLN A 55 -3.984 0.334 7.978 1.00 0.00 N ATOM 797 CA GLN A 55 -3.386 1.359 8.835 1.00 0.00 C ATOM 798 C GLN A 55 -2.341 0.744 9.771 1.00 0.00 C ATOM 799 O GLN A 55 -1.159 1.065 9.670 1.00 0.00 O ATOM 800 CB GLN A 55 -4.482 2.063 9.641 1.00 0.00 C ATOM 801 CG GLN A 55 -5.395 2.910 8.752 1.00 0.00 C ATOM 802 CD GLN A 55 -6.734 3.111 9.441 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.929 3.991 10.268 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.688 2.261 9.155 1.00 0.00 N ATOM 0 H GLN A 55 -4.998 0.278 8.069 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.882 2.092 8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.079 1.319 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.023 2.698 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.930 3.875 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.540 2.419 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.527 1.527 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.592 2.333 9.622 1.00 0.00 H new ATOM 813 N LYS A 56 -2.761 -0.185 10.643 1.00 0.00 N ATOM 814 CA LYS A 56 -1.847 -0.846 11.605 1.00 0.00 C ATOM 815 C LYS A 56 -0.650 -1.545 10.931 1.00 0.00 C ATOM 816 O LYS A 56 0.406 -1.671 11.553 1.00 0.00 O ATOM 817 CB LYS A 56 -2.576 -1.844 12.531 1.00 0.00 C ATOM 818 CG LYS A 56 -3.589 -1.232 13.518 1.00 0.00 C ATOM 819 CD LYS A 56 -5.000 -1.071 12.930 1.00 0.00 C ATOM 820 CE LYS A 56 -6.035 -0.551 13.940 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.344 -1.537 15.010 1.00 0.00 N ATOM 0 H LYS A 56 -3.729 -0.500 10.707 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.457 -0.029 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.098 -2.571 11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.827 -2.392 13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.644 -1.861 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.225 -0.256 13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.955 -0.386 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.335 -2.034 12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.662 0.367 14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.954 -0.295 13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.072 -1.147 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.694 -2.417 14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.482 -1.738 15.556 1.00 0.00 H new ATOM 835 N LYS A 57 -0.791 -1.981 9.671 1.00 0.00 N ATOM 836 CA LYS A 57 0.249 -2.674 8.887 1.00 0.00 C ATOM 837 C LYS A 57 1.486 -1.816 8.572 1.00 0.00 C ATOM 838 O LYS A 57 2.604 -2.290 8.774 1.00 0.00 O ATOM 839 CB LYS A 57 -0.371 -3.294 7.610 1.00 0.00 C ATOM 840 CG LYS A 57 -0.239 -4.825 7.594 1.00 0.00 C ATOM 841 CD LYS A 57 1.195 -5.279 7.271 1.00 0.00 C ATOM 842 CE LYS A 57 1.419 -6.771 7.548 1.00 0.00 C ATOM 843 NZ LYS A 57 1.543 -7.059 9.003 1.00 0.00 N ATOM 0 H LYS A 57 -1.659 -1.858 9.150 1.00 0.00 H new ATOM 0 HA LYS A 57 0.632 -3.473 9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.424 -3.020 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.119 -2.878 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.535 -5.224 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.925 -5.240 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.410 -5.072 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.899 -4.694 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.589 -7.344 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.322 -7.103 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.693 -8.078 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.351 -6.533 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.672 -6.767 9.490 1.00 0.00 H new ATOM 857 N HIS A 58 1.323 -0.590 8.052 1.00 0.00 N ATOM 858 CA HIS A 58 2.459 0.255 7.615 1.00 0.00 C ATOM 859 C HIS A 58 2.226 1.774 7.746 1.00 0.00 C ATOM 860 O HIS A 58 2.888 2.574 7.088 1.00 0.00 O ATOM 861 CB HIS A 58 2.853 -0.149 6.183 1.00 0.00 C ATOM 862 CG HIS A 58 1.877 0.341 5.150 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.096 1.417 4.315 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.592 -0.094 4.978 1.00 0.00 C ATOM 865 CE1 HIS A 58 0.945 1.636 3.648 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.020 0.736 4.038 1.00 0.00 N ATOM 0 H HIS A 58 0.410 -0.154 7.921 1.00 0.00 H new ATOM 0 HA HIS A 58 3.284 0.065 8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.843 0.248 5.958 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.924 -1.235 6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.118 -0.925 5.480 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.788 2.413 2.914 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.939 0.679 3.696 1.00 0.00 H new ATOM 875 N ILE A 59 1.281 2.194 8.581 1.00 0.00 N ATOM 876 CA ILE A 59 0.939 3.609 8.831 1.00 0.00 C ATOM 877 C ILE A 59 0.958 3.883 10.339 1.00 0.00 C ATOM 878 O ILE A 59 0.644 3.009 11.150 1.00 0.00 O ATOM 879 CB ILE A 59 -0.417 3.998 8.177 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.462 3.524 6.704 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.671 5.516 8.279 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.544 4.156 5.820 1.00 0.00 C ATOM 0 H ILE A 59 0.709 1.547 9.124 1.00 0.00 H new ATOM 0 HA ILE A 59 1.691 4.242 8.360 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.215 3.495 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.509 3.723 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.602 2.443 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.626 5.757 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.694 5.811 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.128 6.054 7.768 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.476 3.746 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.527 3.936 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.399 5.236 5.783 1.00 0.00 H new ATOM 894 N THR A 60 1.333 5.101 10.727 1.00 0.00 N ATOM 895 CA THR A 60 1.306 5.545 12.129 1.00 0.00 C ATOM 896 C THR A 60 0.920 7.019 12.296 1.00 0.00 C ATOM 897 O THR A 60 1.148 7.846 11.413 1.00 0.00 O ATOM 898 CB THR A 60 2.650 5.234 12.808 1.00 0.00 C ATOM 899 OG1 THR A 60 2.573 5.585 14.171 1.00 0.00 O ATOM 900 CG2 THR A 60 3.847 5.964 12.195 1.00 0.00 C ATOM 0 H THR A 60 1.666 5.814 10.079 1.00 0.00 H new ATOM 0 HA THR A 60 0.516 4.981 12.625 1.00 0.00 H new ATOM 0 HB THR A 60 2.818 4.167 12.665 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.459 5.855 14.490 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.755 5.689 12.732 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.947 5.683 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.694 7.041 12.269 1.00 0.00 H new ATOM 908 N ASN A 61 0.372 7.357 13.468 1.00 0.00 N ATOM 909 CA ASN A 61 0.157 8.719 13.957 1.00 0.00 C ATOM 910 C ASN A 61 1.389 9.280 14.716 1.00 0.00 C ATOM 911 O ASN A 61 1.343 10.407 15.212 1.00 0.00 O ATOM 912 CB ASN A 61 -1.100 8.701 14.846 1.00 0.00 C ATOM 913 CG ASN A 61 -2.378 8.512 14.044 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.866 9.419 13.386 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.977 7.343 14.082 1.00 0.00 N ATOM 0 H ASN A 61 0.051 6.652 14.132 1.00 0.00 H new ATOM 0 HA ASN A 61 0.013 9.391 13.111 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.012 7.898 15.578 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.160 9.635 15.404 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.844 7.197 13.564 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.575 6.582 14.629 1.00 0.00 H new ATOM 922 N THR A 62 2.478 8.508 14.831 1.00 0.00 N ATOM 923 CA THR A 62 3.761 8.891 15.454 1.00 0.00 C ATOM 924 C THR A 62 4.883 7.918 15.059 1.00 0.00 C ATOM 925 O THR A 62 4.938 6.779 15.529 1.00 0.00 O ATOM 926 CB THR A 62 3.624 9.029 16.987 1.00 0.00 C ATOM 927 OG1 THR A 62 4.875 9.324 17.577 1.00 0.00 O ATOM 928 CG2 THR A 62 3.021 7.827 17.723 1.00 0.00 C ATOM 0 H THR A 62 2.493 7.552 14.476 1.00 0.00 H new ATOM 0 HA THR A 62 4.039 9.873 15.071 1.00 0.00 H new ATOM 0 HB THR A 62 2.912 9.846 17.103 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.767 9.409 18.547 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.975 8.040 18.791 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.016 7.637 17.347 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.643 6.948 17.555 1.00 0.00 H new ATOM 936 N ARG A 63 5.789 8.329 14.160 1.00 0.00 N ATOM 937 CA ARG A 63 6.989 7.546 13.811 1.00 0.00 C ATOM 938 C ARG A 63 7.961 7.472 14.999 1.00 0.00 C ATOM 939 O ARG A 63 8.679 8.430 15.287 1.00 0.00 O ATOM 940 CB ARG A 63 7.682 8.112 12.557 1.00 0.00 C ATOM 941 CG ARG A 63 8.829 7.188 12.103 1.00 0.00 C ATOM 942 CD ARG A 63 9.875 7.935 11.273 1.00 0.00 C ATOM 943 NE ARG A 63 10.620 8.928 12.076 1.00 0.00 N ATOM 944 CZ ARG A 63 11.610 8.717 12.926 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.122 7.537 13.133 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.129 9.711 13.586 1.00 0.00 N ATOM 0 H ARG A 63 5.713 9.211 13.654 1.00 0.00 H new ATOM 0 HA ARG A 63 6.668 6.531 13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.955 8.220 11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.073 9.107 12.770 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.308 6.748 12.978 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.421 6.365 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.575 7.218 10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.384 8.438 10.440 1.00 0.00 H new ATOM 0 HE ARG A 63 10.333 9.900 11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.759 6.728 12.629 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.886 7.422 13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.772 10.656 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.893 9.545 14.241 1.00 0.00 H new ATOM 960 N ASP A 64 8.018 6.307 15.639 1.00 0.00 N ATOM 961 CA ASP A 64 8.963 5.968 16.719 1.00 0.00 C ATOM 962 C ASP A 64 9.905 4.796 16.356 1.00 0.00 C ATOM 963 O ASP A 64 10.707 4.345 17.176 1.00 0.00 O ATOM 964 CB ASP A 64 8.147 5.704 17.997 1.00 0.00 C ATOM 965 CG ASP A 64 9.008 5.644 19.273 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.746 6.620 19.555 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.905 4.649 20.032 1.00 0.00 O ATOM 0 H ASP A 64 7.386 5.538 15.417 1.00 0.00 H new ATOM 0 HA ASP A 64 9.638 6.808 16.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.399 6.488 18.110 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.608 4.763 17.887 1.00 0.00 H new ATOM 972 N VAL A 65 9.815 4.291 15.119 1.00 0.00 N ATOM 973 CA VAL A 65 10.563 3.118 14.633 1.00 0.00 C ATOM 974 C VAL A 65 12.011 3.479 14.272 1.00 0.00 C ATOM 975 O VAL A 65 12.277 4.549 13.721 1.00 0.00 O ATOM 976 CB VAL A 65 9.840 2.470 13.430 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.585 1.213 12.966 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.409 2.050 13.800 1.00 0.00 C ATOM 0 H VAL A 65 9.205 4.695 14.408 1.00 0.00 H new ATOM 0 HA VAL A 65 10.601 2.391 15.445 1.00 0.00 H new ATOM 0 HB VAL A 65 9.815 3.217 12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.061 0.771 12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.598 1.480 12.666 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.626 0.492 13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.927 1.598 12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.441 1.327 14.615 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.842 2.927 14.114 1.00 0.00 H new ATOM 988 N ASP A 66 12.944 2.560 14.551 1.00 0.00 N ATOM 989 CA ASP A 66 14.397 2.716 14.344 1.00 0.00 C ATOM 990 C ASP A 66 15.046 1.510 13.622 1.00 0.00 C ATOM 991 O ASP A 66 16.268 1.441 13.486 1.00 0.00 O ATOM 992 CB ASP A 66 15.041 2.978 15.717 1.00 0.00 C ATOM 993 CG ASP A 66 16.473 3.543 15.633 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.692 4.544 14.907 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.367 3.036 16.352 1.00 0.00 O ATOM 0 H ASP A 66 12.702 1.650 14.943 1.00 0.00 H new ATOM 0 HA ASP A 66 14.570 3.559 13.676 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.417 3.677 16.274 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.060 2.047 16.283 1.00 0.00 H new ATOM 1000 N CYS A 67 14.232 0.550 13.157 1.00 0.00 N ATOM 1001 CA CYS A 67 14.633 -0.712 12.513 1.00 0.00 C ATOM 1002 C CYS A 67 15.693 -1.510 13.311 1.00 0.00 C ATOM 1003 O CYS A 67 16.678 -2.014 12.772 1.00 0.00 O ATOM 1004 CB CYS A 67 14.954 -0.448 11.034 1.00 0.00 C ATOM 1005 SG CYS A 67 13.516 0.189 10.128 1.00 0.00 S ATOM 0 H CYS A 67 13.218 0.638 13.224 1.00 0.00 H new ATOM 0 HA CYS A 67 13.793 -1.406 12.526 1.00 0.00 H new ATOM 0 HB2 CYS A 67 15.773 0.268 10.963 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.296 -1.371 10.567 1.00 0.00 H new ATOM 1010 N ASP A 68 15.448 -1.641 14.621 1.00 0.00 N ATOM 1011 CA ASP A 68 16.251 -2.386 15.605 1.00 0.00 C ATOM 1012 C ASP A 68 15.417 -2.907 16.796 1.00 0.00 C ATOM 1013 O ASP A 68 15.736 -3.957 17.348 1.00 0.00 O ATOM 1014 CB ASP A 68 17.402 -1.501 16.126 1.00 0.00 C ATOM 1015 CG ASP A 68 18.748 -1.828 15.454 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.160 -3.012 15.494 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.426 -0.900 14.949 1.00 0.00 O ATOM 0 H ASP A 68 14.633 -1.203 15.051 1.00 0.00 H new ATOM 0 HA ASP A 68 16.650 -3.258 15.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.158 -0.453 15.952 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.497 -1.631 17.204 1.00 0.00 H new ATOM 1022 N ASN A 69 14.326 -2.225 17.173 1.00 0.00 N ATOM 1023 CA ASN A 69 13.427 -2.600 18.279 1.00 0.00 C ATOM 1024 C ASN A 69 12.084 -3.197 17.812 1.00 0.00 C ATOM 1025 O ASN A 69 11.288 -3.655 18.634 1.00 0.00 O ATOM 1026 CB ASN A 69 13.234 -1.409 19.228 1.00 0.00 C ATOM 1027 CG ASN A 69 12.619 -0.204 18.551 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.421 -0.106 18.335 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.444 0.734 18.160 1.00 0.00 N ATOM 0 H ASN A 69 14.034 -1.369 16.702 1.00 0.00 H new ATOM 0 HA ASN A 69 13.913 -3.408 18.826 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.599 -1.714 20.060 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.199 -1.128 19.650 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.088 1.555 17.671 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.443 0.644 18.345 1.00 0.00 H new ATOM 1036 N ILE A 70 11.848 -3.262 16.493 1.00 0.00 N ATOM 1037 CA ILE A 70 10.635 -3.820 15.862 1.00 0.00 C ATOM 1038 C ILE A 70 10.382 -5.299 16.179 1.00 0.00 C ATOM 1039 O ILE A 70 9.280 -5.798 15.972 1.00 0.00 O ATOM 1040 CB ILE A 70 10.659 -3.591 14.338 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.799 -4.379 13.649 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.719 -2.078 14.076 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.060 -3.964 12.202 1.00 0.00 C ATOM 0 H ILE A 70 12.520 -2.915 15.808 1.00 0.00 H new ATOM 0 HA ILE A 70 9.800 -3.276 16.303 1.00 0.00 H new ATOM 0 HB ILE A 70 9.746 -3.984 13.890 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.716 -4.248 14.224 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.557 -5.442 13.673 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.737 -1.895 13.002 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.842 -1.598 14.511 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.621 -1.666 14.529 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.873 -4.564 11.792 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.159 -4.122 11.610 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.335 -2.910 12.170 1.00 0.00 H new ATOM 1055 N MET A 71 11.373 -5.988 16.751 1.00 0.00 N ATOM 1056 CA MET A 71 11.205 -7.320 17.356 1.00 0.00 C ATOM 1057 C MET A 71 10.079 -7.337 18.419 1.00 0.00 C ATOM 1058 O MET A 71 9.358 -8.324 18.560 1.00 0.00 O ATOM 1059 CB MET A 71 12.559 -7.777 17.934 1.00 0.00 C ATOM 1060 CG MET A 71 12.712 -9.300 18.030 1.00 0.00 C ATOM 1061 SD MET A 71 11.891 -10.105 19.435 1.00 0.00 S ATOM 1062 CE MET A 71 10.996 -11.418 18.556 1.00 0.00 C ATOM 0 H MET A 71 12.328 -5.635 16.810 1.00 0.00 H new ATOM 0 HA MET A 71 10.891 -8.026 16.587 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.361 -7.380 17.312 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.683 -7.346 18.927 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.327 -9.741 17.111 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.775 -9.535 18.075 1.00 0.00 H new ATOM 0 HE1 MET A 71 10.432 -12.016 19.272 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.310 -10.972 17.836 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.708 -12.056 18.032 1.00 0.00 H new ATOM 1072 N SER A 72 9.884 -6.215 19.125 1.00 0.00 N ATOM 1073 CA SER A 72 8.852 -6.015 20.156 1.00 0.00 C ATOM 1074 C SER A 72 7.500 -5.494 19.616 1.00 0.00 C ATOM 1075 O SER A 72 6.523 -5.418 20.367 1.00 0.00 O ATOM 1076 CB SER A 72 9.419 -5.050 21.209 1.00 0.00 C ATOM 1077 OG SER A 72 8.741 -5.173 22.449 1.00 0.00 O ATOM 0 H SER A 72 10.464 -5.387 18.989 1.00 0.00 H new ATOM 0 HA SER A 72 8.622 -6.990 20.585 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.481 -5.250 21.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.334 -4.025 20.847 1.00 0.00 H new ATOM 0 HG SER A 72 7.782 -5.296 22.287 1.00 0.00 H new ATOM 1083 N THR A 73 7.401 -5.145 18.325 1.00 0.00 N ATOM 1084 CA THR A 73 6.196 -4.560 17.687 1.00 0.00 C ATOM 1085 C THR A 73 5.518 -5.541 16.719 1.00 0.00 C ATOM 1086 O THR A 73 5.909 -6.706 16.619 1.00 0.00 O ATOM 1087 CB THR A 73 6.506 -3.222 16.983 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.216 -3.437 15.785 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.313 -2.248 17.842 1.00 0.00 C ATOM 0 H THR A 73 8.175 -5.262 17.671 1.00 0.00 H new ATOM 0 HA THR A 73 5.493 -4.356 18.494 1.00 0.00 H new ATOM 0 HB THR A 73 5.532 -2.774 16.786 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.842 -4.181 15.905 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.492 -1.331 17.281 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.756 -2.015 18.749 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.267 -2.703 18.109 1.00 0.00 H new ATOM 1097 N ASN A 74 4.482 -5.097 15.992 1.00 0.00 N ATOM 1098 CA ASN A 74 3.800 -5.900 14.964 1.00 0.00 C ATOM 1099 C ASN A 74 4.716 -6.310 13.791 1.00 0.00 C ATOM 1100 O ASN A 74 4.413 -7.260 13.069 1.00 0.00 O ATOM 1101 CB ASN A 74 2.589 -5.118 14.417 1.00 0.00 C ATOM 1102 CG ASN A 74 1.611 -4.679 15.493 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.951 -5.481 16.138 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.487 -3.389 15.715 1.00 0.00 N ATOM 0 H ASN A 74 4.090 -4.162 16.102 1.00 0.00 H new ATOM 0 HA ASN A 74 3.482 -6.822 15.451 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.947 -4.238 13.882 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.063 -5.739 13.692 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.838 -3.054 16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.039 -2.723 15.175 1.00 0.00 H new ATOM 1111 N LEU A 75 5.827 -5.596 13.585 1.00 0.00 N ATOM 1112 CA LEU A 75 6.703 -5.678 12.412 1.00 0.00 C ATOM 1113 C LEU A 75 7.903 -6.634 12.604 1.00 0.00 C ATOM 1114 O LEU A 75 8.864 -6.588 11.832 1.00 0.00 O ATOM 1115 CB LEU A 75 7.148 -4.246 12.041 1.00 0.00 C ATOM 1116 CG LEU A 75 6.059 -3.200 11.714 1.00 0.00 C ATOM 1117 CD1 LEU A 75 4.870 -3.766 10.941 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.552 -2.434 12.936 1.00 0.00 C ATOM 0 H LEU A 75 6.156 -4.911 14.266 1.00 0.00 H new ATOM 0 HA LEU A 75 6.141 -6.117 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.743 -3.858 12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.810 -4.317 11.178 1.00 0.00 H new ATOM 0 HG LEU A 75 6.581 -2.497 11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.149 -2.971 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.215 -4.179 9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.396 -4.553 11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.790 -1.719 12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.122 -3.135 13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.381 -1.902 13.402 1.00 0.00 H new ATOM 1130 N PHE A 76 7.845 -7.524 13.599 1.00 0.00 N ATOM 1131 CA PHE A 76 8.916 -8.424 14.060 1.00 0.00 C ATOM 1132 C PHE A 76 9.308 -9.520 13.060 1.00 0.00 C ATOM 1133 O PHE A 76 10.300 -10.224 13.250 1.00 0.00 O ATOM 1134 CB PHE A 76 8.494 -9.073 15.385 1.00 0.00 C ATOM 1135 CG PHE A 76 7.437 -10.162 15.287 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.069 -9.835 15.243 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.825 -11.515 15.268 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.096 -10.849 15.196 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.854 -12.532 15.214 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.489 -12.199 15.184 1.00 0.00 C ATOM 0 H PHE A 76 6.991 -7.646 14.144 1.00 0.00 H new ATOM 0 HA PHE A 76 9.802 -7.800 14.180 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.380 -9.496 15.858 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.122 -8.291 16.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.765 -8.799 15.245 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.873 -11.774 15.295 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.048 -10.591 15.169 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.158 -13.568 15.196 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.743 -12.979 15.152 1.00 0.00 H new ATOM 1150 N HIS A 77 8.534 -9.647 11.980 1.00 0.00 N ATOM 1151 CA HIS A 77 8.614 -10.666 10.926 1.00 0.00 C ATOM 1152 C HIS A 77 9.931 -10.678 10.117 1.00 0.00 C ATOM 1153 O HIS A 77 10.114 -11.542 9.260 1.00 0.00 O ATOM 1154 CB HIS A 77 7.386 -10.467 10.018 1.00 0.00 C ATOM 1155 CG HIS A 77 6.077 -10.605 10.760 1.00 0.00 C ATOM 1156 ND1 HIS A 77 5.574 -11.770 11.314 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.216 -9.585 11.057 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.424 -11.456 11.943 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.190 -10.133 11.805 1.00 0.00 N ATOM 0 H HIS A 77 7.775 -8.989 11.804 1.00 0.00 H new ATOM 0 HA HIS A 77 8.614 -11.647 11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.436 -9.479 9.560 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.417 -11.196 9.208 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.318 -8.551 10.764 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.790 -12.152 12.473 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.393 -9.625 12.187 1.00 0.00 H new ATOM 1168 N CYS A 78 10.844 -9.736 10.380 1.00 0.00 N ATOM 1169 CA CYS A 78 12.185 -9.601 9.782 1.00 0.00 C ATOM 1170 C CYS A 78 12.216 -9.604 8.230 1.00 0.00 C ATOM 1171 O CYS A 78 13.148 -10.103 7.593 1.00 0.00 O ATOM 1172 CB CYS A 78 13.135 -10.606 10.461 1.00 0.00 C ATOM 1173 SG CYS A 78 14.920 -10.292 10.290 1.00 0.00 S ATOM 0 H CYS A 78 10.658 -8.998 11.059 1.00 0.00 H new ATOM 0 HA CYS A 78 12.553 -8.596 9.989 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.895 -10.635 11.524 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.924 -11.597 10.060 1.00 0.00 H new ATOM 1178 N LYS A 79 11.169 -9.033 7.617 1.00 0.00 N ATOM 1179 CA LYS A 79 11.043 -8.752 6.174 1.00 0.00 C ATOM 1180 C LYS A 79 12.116 -7.782 5.642 1.00 0.00 C ATOM 1181 O LYS A 79 12.766 -7.074 6.407 1.00 0.00 O ATOM 1182 CB LYS A 79 9.598 -8.304 5.854 1.00 0.00 C ATOM 1183 CG LYS A 79 8.954 -7.278 6.807 1.00 0.00 C ATOM 1184 CD LYS A 79 9.602 -5.881 6.799 1.00 0.00 C ATOM 1185 CE LYS A 79 10.375 -5.513 8.074 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.465 -5.231 9.221 1.00 0.00 N ATOM 0 H LYS A 79 10.343 -8.738 8.138 1.00 0.00 H new ATOM 0 HA LYS A 79 11.237 -9.678 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.589 -7.884 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.965 -9.191 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.901 -7.174 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.993 -7.674 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.282 -5.818 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.822 -5.137 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.048 -6.329 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.996 -4.638 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.719 -4.318 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.482 -5.193 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.558 -5.985 9.932 1.00 0.00 H new ATOM 1200 N ASP A 80 12.281 -7.722 4.319 1.00 0.00 N ATOM 1201 CA ASP A 80 13.349 -6.967 3.633 1.00 0.00 C ATOM 1202 C ASP A 80 13.285 -5.444 3.861 1.00 0.00 C ATOM 1203 O ASP A 80 14.318 -4.791 4.033 1.00 0.00 O ATOM 1204 CB ASP A 80 13.291 -7.254 2.125 1.00 0.00 C ATOM 1205 CG ASP A 80 13.502 -8.742 1.802 1.00 0.00 C ATOM 1206 OD1 ASP A 80 12.501 -9.497 1.765 1.00 0.00 O ATOM 1207 OD2 ASP A 80 14.663 -9.160 1.581 1.00 0.00 O ATOM 0 H ASP A 80 11.662 -8.209 3.671 1.00 0.00 H new ATOM 0 HA ASP A 80 14.290 -7.307 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.325 -6.934 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.053 -6.663 1.616 1.00 0.00 H new ATOM 1212 N LYS A 81 12.074 -4.873 3.868 1.00 0.00 N ATOM 1213 CA LYS A 81 11.790 -3.477 4.236 1.00 0.00 C ATOM 1214 C LYS A 81 10.317 -3.249 4.592 1.00 0.00 C ATOM 1215 O LYS A 81 9.457 -4.051 4.231 1.00 0.00 O ATOM 1216 CB LYS A 81 12.195 -2.529 3.091 1.00 0.00 C ATOM 1217 CG LYS A 81 11.535 -2.805 1.728 1.00 0.00 C ATOM 1218 CD LYS A 81 11.540 -1.571 0.810 1.00 0.00 C ATOM 1219 CE LYS A 81 10.648 -0.455 1.384 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.322 0.595 0.391 1.00 0.00 N ATOM 0 H LYS A 81 11.233 -5.388 3.608 1.00 0.00 H new ATOM 0 HA LYS A 81 12.381 -3.261 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.957 -1.508 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.277 -2.581 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.058 -3.624 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.507 -3.133 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.560 -1.203 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.187 -1.850 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.723 -0.893 1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.151 0.002 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.373 1.530 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.002 0.553 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.361 0.440 0.025 1.00 0.00 H new ATOM 1234 N ASN A 82 10.025 -2.116 5.230 1.00 0.00 N ATOM 1235 CA ASN A 82 8.671 -1.567 5.361 1.00 0.00 C ATOM 1236 C ASN A 82 8.670 -0.075 4.981 1.00 0.00 C ATOM 1237 O ASN A 82 9.657 0.625 5.220 1.00 0.00 O ATOM 1238 CB ASN A 82 8.169 -1.808 6.801 1.00 0.00 C ATOM 1239 CG ASN A 82 6.653 -1.746 6.947 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.907 -1.521 6.007 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.156 -1.992 8.138 1.00 0.00 N ATOM 0 H ASN A 82 10.736 -1.540 5.680 1.00 0.00 H new ATOM 0 HA ASN A 82 7.987 -2.070 4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.517 -2.785 7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.618 -1.065 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.146 -1.995 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.780 -2.180 8.922 1.00 0.00 H new ATOM 1248 N THR A 83 7.568 0.406 4.403 1.00 0.00 N ATOM 1249 CA THR A 83 7.349 1.811 4.037 1.00 0.00 C ATOM 1250 C THR A 83 6.336 2.437 5.001 1.00 0.00 C ATOM 1251 O THR A 83 5.121 2.330 4.798 1.00 0.00 O ATOM 1252 CB THR A 83 6.848 1.937 2.586 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.727 1.293 1.685 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.754 3.407 2.181 1.00 0.00 C ATOM 0 H THR A 83 6.775 -0.190 4.168 1.00 0.00 H new ATOM 0 HA THR A 83 8.299 2.340 4.109 1.00 0.00 H new ATOM 0 HB THR A 83 5.866 1.466 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.385 1.387 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.399 3.479 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.058 3.923 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.738 3.869 2.258 1.00 0.00 H new ATOM 1262 N PHE A 84 6.827 3.056 6.076 1.00 0.00 N ATOM 1263 CA PHE A 84 5.993 3.705 7.093 1.00 0.00 C ATOM 1264 C PHE A 84 5.529 5.096 6.643 1.00 0.00 C ATOM 1265 O PHE A 84 6.345 5.965 6.325 1.00 0.00 O ATOM 1266 CB PHE A 84 6.712 3.815 8.441 1.00 0.00 C ATOM 1267 CG PHE A 84 7.084 2.505 9.099 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.078 1.634 9.559 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.441 2.185 9.299 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.429 0.447 10.226 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.788 0.973 9.922 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.784 0.111 10.405 1.00 0.00 C ATOM 0 H PHE A 84 7.826 3.122 6.269 1.00 0.00 H new ATOM 0 HA PHE A 84 5.118 3.067 7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.621 4.400 8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.076 4.376 9.126 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.038 1.877 9.400 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.212 2.868 8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.657 -0.208 10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.828 0.702 10.031 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.053 -0.804 10.911 1.00 0.00 H new ATOM 1282 N ILE A 85 4.214 5.312 6.656 1.00 0.00 N ATOM 1283 CA ILE A 85 3.552 6.593 6.380 1.00 0.00 C ATOM 1284 C ILE A 85 3.184 7.247 7.718 1.00 0.00 C ATOM 1285 O ILE A 85 2.396 6.686 8.483 1.00 0.00 O ATOM 1286 CB ILE A 85 2.304 6.337 5.503 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.697 5.762 4.122 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.442 7.598 5.318 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.490 5.188 3.373 1.00 0.00 C ATOM 0 H ILE A 85 3.549 4.568 6.868 1.00 0.00 H new ATOM 0 HA ILE A 85 4.211 7.269 5.835 1.00 0.00 H new ATOM 0 HB ILE A 85 1.703 5.601 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.157 6.546 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.446 4.981 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.580 7.361 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.100 7.951 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.034 8.376 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.813 4.796 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.045 4.385 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.752 5.974 3.216 1.00 0.00 H new ATOM 1301 N TYR A 86 3.740 8.421 8.025 1.00 0.00 N ATOM 1302 CA TYR A 86 3.301 9.239 9.157 1.00 0.00 C ATOM 1303 C TYR A 86 2.147 10.172 8.735 1.00 0.00 C ATOM 1304 O TYR A 86 2.372 11.328 8.361 1.00 0.00 O ATOM 1305 CB TYR A 86 4.513 9.959 9.764 1.00 0.00 C ATOM 1306 CG TYR A 86 4.291 10.849 10.981 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.073 10.861 11.695 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.337 11.701 11.388 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.886 11.764 12.758 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.164 12.581 12.472 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.931 12.623 13.157 1.00 0.00 C ATOM 1312 OH TYR A 86 3.757 13.490 14.192 1.00 0.00 O ATOM 0 H TYR A 86 4.508 8.832 7.495 1.00 0.00 H new ATOM 0 HA TYR A 86 2.886 8.614 9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.248 9.201 10.036 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.962 10.571 8.982 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.283 10.176 11.425 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.280 11.678 10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.936 11.799 13.271 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.975 13.224 12.780 1.00 0.00 H new ATOM 0 HH TYR A 86 4.580 14.004 14.330 1.00 0.00 H new ATOM 1322 N SER A 87 0.909 9.658 8.804 1.00 0.00 N ATOM 1323 CA SER A 87 -0.337 10.384 8.487 1.00 0.00 C ATOM 1324 C SER A 87 -1.501 10.008 9.413 1.00 0.00 C ATOM 1325 O SER A 87 -1.556 8.899 9.951 1.00 0.00 O ATOM 1326 CB SER A 87 -0.789 10.089 7.049 1.00 0.00 C ATOM 1327 OG SER A 87 0.164 10.554 6.115 1.00 0.00 O ATOM 0 H SER A 87 0.739 8.694 9.091 1.00 0.00 H new ATOM 0 HA SER A 87 -0.099 11.439 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.935 9.016 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.751 10.566 6.861 1.00 0.00 H new ATOM 0 HG SER A 87 -0.136 11.408 5.739 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.487 10.910 9.529 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.831 10.621 10.065 1.00 0.00 C ATOM 1335 C ARG A 88 -4.637 9.766 9.072 1.00 0.00 C ATOM 1336 O ARG A 88 -4.294 9.748 7.889 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.545 11.951 10.369 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.834 12.729 11.489 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.705 13.862 12.039 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.810 13.339 12.872 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.961 13.926 13.151 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -7.251 15.121 12.725 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.852 13.314 13.878 1.00 0.00 N ATOM 0 H ARG A 88 -2.372 11.884 9.247 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.744 10.048 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.580 12.561 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.577 11.753 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.574 12.046 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.900 13.141 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.091 14.540 12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.114 14.442 11.212 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.667 12.415 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.580 15.636 12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.150 15.542 12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.663 12.377 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.739 13.771 14.090 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.735 9.107 9.488 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.565 8.321 8.571 1.00 0.00 C ATOM 1359 C PRO A 89 -7.368 9.157 7.562 1.00 0.00 C ATOM 1360 O PRO A 89 -7.721 8.647 6.500 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.491 7.499 9.473 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.575 8.312 10.762 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.181 8.924 10.864 1.00 0.00 C ATOM 0 HA PRO A 89 -5.928 7.704 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.474 7.367 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.088 6.503 9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.350 9.077 10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.805 7.684 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.207 9.874 11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.504 8.269 11.412 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.651 10.433 7.848 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.466 11.307 6.984 1.00 0.00 C ATOM 1373 C GLU A 90 -7.851 11.515 5.583 1.00 0.00 C ATOM 1374 O GLU A 90 -8.501 11.143 4.603 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.784 12.642 7.684 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.865 12.481 8.760 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.218 13.837 9.404 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.984 14.623 8.793 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.743 14.124 10.529 1.00 0.00 O ATOM 0 H GLU A 90 -7.319 10.896 8.694 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.410 10.789 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.876 13.039 8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.115 13.370 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.759 12.042 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.517 11.790 9.528 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.607 12.027 5.438 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.975 12.239 4.127 1.00 0.00 C ATOM 1388 C PRO A 91 -5.590 10.953 3.377 1.00 0.00 C ATOM 1389 O PRO A 91 -5.053 11.033 2.274 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.737 13.095 4.407 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.366 12.747 5.844 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.721 12.496 6.499 1.00 0.00 C ATOM 0 HA PRO A 91 -6.691 12.718 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.926 12.861 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.953 14.158 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.725 11.867 5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.828 13.561 6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.638 11.754 7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.108 13.408 6.954 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.858 9.780 3.955 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.637 8.447 3.374 1.00 0.00 C ATOM 1402 C VAL A 92 -6.967 7.867 2.885 1.00 0.00 C ATOM 1403 O VAL A 92 -7.101 7.529 1.710 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.942 7.524 4.400 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.505 6.207 3.751 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.695 8.155 5.041 1.00 0.00 C ATOM 0 H VAL A 92 -6.257 9.728 4.892 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.974 8.528 2.513 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.689 7.353 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.019 5.578 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.378 5.690 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.806 6.415 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.256 7.454 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.966 8.389 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.977 9.070 5.562 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.986 7.793 3.748 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.312 7.257 3.396 1.00 0.00 C ATOM 1418 C LYS A 93 -10.057 8.137 2.386 1.00 0.00 C ATOM 1419 O LYS A 93 -10.612 7.630 1.414 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.167 7.033 4.660 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.035 5.769 4.507 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.384 5.784 5.241 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.291 5.749 6.770 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.120 7.087 7.391 1.00 0.00 N ATOM 0 H LYS A 93 -7.917 8.104 4.717 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.142 6.296 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.520 6.934 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.804 7.900 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.224 5.608 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.461 4.913 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.931 6.680 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.971 4.928 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.194 5.286 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.453 5.115 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.167 6.998 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.197 7.481 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.877 7.721 7.064 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.059 9.453 2.607 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.849 10.426 1.846 1.00 0.00 C ATOM 1440 C ALA A 94 -10.290 10.746 0.447 1.00 0.00 C ATOM 1441 O ALA A 94 -10.919 11.494 -0.308 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.985 11.705 2.673 1.00 0.00 C ATOM 0 H ALA A 94 -9.496 9.884 3.340 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.822 9.970 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.571 12.437 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.486 11.478 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.995 12.113 2.878 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.134 10.176 0.076 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.614 10.214 -1.302 1.00 0.00 C ATOM 1450 C ILE A 95 -9.678 9.697 -2.292 1.00 0.00 C ATOM 1451 O ILE A 95 -9.829 10.253 -3.382 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.294 9.414 -1.441 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.224 9.860 -0.422 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.711 9.580 -2.856 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.011 8.923 -0.348 1.00 0.00 C ATOM 0 H ILE A 95 -8.529 9.673 0.725 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.388 11.253 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.546 8.371 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.882 10.862 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.681 9.926 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.784 9.012 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.427 9.212 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.508 10.634 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.303 9.302 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.339 7.925 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.528 8.875 -1.324 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.465 8.690 -1.886 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.616 8.190 -2.639 1.00 0.00 C ATOM 1469 C CYS A 96 -12.967 8.565 -2.001 1.00 0.00 C ATOM 1470 O CYS A 96 -13.062 8.840 -0.800 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.467 6.677 -2.810 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.537 5.679 -1.303 1.00 0.00 S ATOM 0 H CYS A 96 -10.313 8.193 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.624 8.673 -3.616 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.251 6.332 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.515 6.482 -3.303 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.028 8.553 -2.822 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.418 8.876 -2.451 1.00 0.00 C ATOM 1479 C LYS A 97 -16.391 8.202 -3.426 1.00 0.00 C ATOM 1480 O LYS A 97 -16.548 8.645 -4.563 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.586 10.413 -2.390 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.850 10.898 -1.657 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.123 10.921 -2.519 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.266 11.578 -1.733 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.496 11.712 -2.557 1.00 0.00 N ATOM 0 H LYS A 97 -13.938 8.307 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.651 8.485 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.712 10.840 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.602 10.803 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.023 10.254 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.669 11.902 -1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.939 11.471 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.400 9.906 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.486 10.984 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.951 12.563 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.245 12.160 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.293 12.300 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.811 10.770 -2.866 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.993 7.087 -3.003 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.941 6.292 -3.805 1.00 0.00 C ATOM 1501 C GLY A 98 -17.295 5.214 -4.688 1.00 0.00 C ATOM 1502 O GLY A 98 -17.999 4.533 -5.431 1.00 0.00 O ATOM 0 H GLY A 98 -16.835 6.699 -2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.651 5.812 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.512 6.968 -4.441 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.968 5.039 -4.620 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.212 4.066 -5.427 1.00 0.00 C ATOM 1508 C ILE A 99 -15.446 2.631 -4.932 1.00 0.00 C ATOM 1509 O ILE A 99 -15.062 2.266 -3.819 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.707 4.430 -5.486 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.535 5.821 -6.149 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.934 3.347 -6.266 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.085 6.280 -6.359 1.00 0.00 C ATOM 0 H ILE A 99 -15.376 5.580 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.587 4.114 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.302 4.475 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.037 5.807 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.047 6.562 -5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.877 3.610 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.051 2.385 -5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.327 3.279 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.079 7.264 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.578 6.335 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.567 5.568 -7.002 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.052 1.806 -5.790 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.232 0.346 -5.628 1.00 0.00 C ATOM 1527 C ILE A 100 -15.325 -0.435 -6.613 1.00 0.00 C ATOM 1528 O ILE A 100 -15.087 -1.629 -6.454 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.736 -0.035 -5.777 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.667 0.989 -5.079 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.005 -1.428 -5.182 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.164 0.648 -5.064 1.00 0.00 C ATOM 0 H ILE A 100 -16.454 2.148 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.923 0.061 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.953 -0.035 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.333 1.108 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.541 1.955 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.061 -1.675 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.400 -2.170 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.745 -1.428 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.712 1.437 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.528 0.562 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.317 -0.298 -4.544 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.753 0.258 -7.604 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.036 -0.272 -8.771 1.00 0.00 C ATOM 1546 C ALA A 101 -12.631 -0.869 -8.501 1.00 0.00 C ATOM 1547 O ALA A 101 -11.934 -1.223 -9.455 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.958 0.868 -9.799 1.00 0.00 C ATOM 0 H ALA A 101 -14.781 1.278 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.599 -1.133 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.431 0.521 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.966 1.180 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.422 1.712 -9.366 1.00 0.00 H new ATOM 1554 N SER A 102 -12.194 -0.979 -7.239 1.00 0.00 N ATOM 1555 CA SER A 102 -10.829 -1.370 -6.837 1.00 0.00 C ATOM 1556 C SER A 102 -9.739 -0.525 -7.532 1.00 0.00 C ATOM 1557 O SER A 102 -8.936 -1.029 -8.324 1.00 0.00 O ATOM 1558 CB SER A 102 -10.638 -2.884 -7.018 1.00 0.00 C ATOM 1559 OG SER A 102 -9.415 -3.317 -6.445 1.00 0.00 O ATOM 0 H SER A 102 -12.799 -0.792 -6.440 1.00 0.00 H new ATOM 0 HA SER A 102 -10.709 -1.151 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.469 -3.416 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.653 -3.131 -8.079 1.00 0.00 H new ATOM 0 HG SER A 102 -9.318 -4.284 -6.572 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.715 0.786 -7.243 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.765 1.779 -7.789 1.00 0.00 C ATOM 1567 C LYS A 103 -8.607 2.975 -6.844 1.00 0.00 C ATOM 1568 O LYS A 103 -9.466 3.207 -6.000 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.281 2.248 -9.166 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.124 2.600 -10.112 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.649 3.174 -11.438 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.547 3.283 -12.504 1.00 0.00 C ATOM 1573 NZ LYS A 103 -7.239 1.969 -13.131 1.00 0.00 N ATOM 0 H LYS A 103 -10.383 1.204 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.784 1.316 -7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.892 1.464 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.924 3.118 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.466 3.325 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.527 1.709 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.452 2.540 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.078 4.160 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.858 3.987 -13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.643 3.687 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.491 2.091 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.916 1.303 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.094 1.594 -13.588 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.539 3.757 -6.957 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.435 5.098 -6.371 1.00 0.00 C ATOM 1589 C ASN A 104 -6.627 6.051 -7.278 1.00 0.00 C ATOM 1590 O ASN A 104 -6.334 5.730 -8.432 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.810 4.973 -4.967 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.412 5.921 -3.941 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.027 6.923 -4.267 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.238 5.627 -2.674 1.00 0.00 N ATOM 0 H ASN A 104 -6.702 3.475 -7.468 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.429 5.536 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.930 3.948 -4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.739 5.162 -5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.618 6.238 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.722 4.787 -2.412 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.232 7.206 -6.739 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.246 8.127 -7.317 1.00 0.00 C ATOM 1603 C VAL A 105 -4.139 8.407 -6.290 1.00 0.00 C ATOM 1604 O VAL A 105 -4.382 8.398 -5.082 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.957 9.405 -7.819 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -6.586 10.243 -6.698 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.035 10.297 -8.656 1.00 0.00 C ATOM 0 H VAL A 105 -6.605 7.541 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.763 7.678 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.764 9.031 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.066 11.123 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.329 9.645 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.810 10.557 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.583 11.180 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.180 10.603 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.685 9.743 -9.527 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.914 8.648 -6.761 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.801 9.167 -5.961 1.00 0.00 C ATOM 1619 C LEU A 106 -2.187 10.476 -5.237 1.00 0.00 C ATOM 1620 O LEU A 106 -2.874 11.331 -5.804 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.605 9.379 -6.919 1.00 0.00 C ATOM 1622 CG LEU A 106 0.687 9.925 -6.292 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.357 8.887 -5.406 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.661 10.350 -7.389 1.00 0.00 C ATOM 0 H LEU A 106 -2.661 8.483 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.535 8.458 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.377 8.426 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.917 10.063 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 106 0.418 10.784 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.268 9.307 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.678 8.601 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.607 8.008 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.574 10.736 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.902 9.491 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.203 11.127 -8.001 1.00 0.00 H new ATOM 1636 N THR A 107 -1.716 10.657 -3.999 1.00 0.00 N ATOM 1637 CA THR A 107 -1.860 11.928 -3.256 1.00 0.00 C ATOM 1638 C THR A 107 -1.110 13.107 -3.906 1.00 0.00 C ATOM 1639 O THR A 107 -0.335 12.959 -4.850 1.00 0.00 O ATOM 1640 CB THR A 107 -1.429 11.807 -1.775 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.762 10.607 -1.476 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.630 11.887 -0.836 1.00 0.00 C ATOM 0 H THR A 107 -1.223 9.932 -3.478 1.00 0.00 H new ATOM 0 HA THR A 107 -2.928 12.141 -3.297 1.00 0.00 H new ATOM 0 HB THR A 107 -0.746 12.643 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.517 10.596 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.291 11.799 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.135 12.844 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.323 11.076 -1.061 1.00 0.00 H new ATOM 1650 N THR A 108 -1.323 14.308 -3.371 1.00 0.00 N ATOM 1651 CA THR A 108 -0.778 15.586 -3.851 1.00 0.00 C ATOM 1652 C THR A 108 0.168 16.248 -2.843 1.00 0.00 C ATOM 1653 O THR A 108 1.178 16.834 -3.237 1.00 0.00 O ATOM 1654 CB THR A 108 -1.936 16.544 -4.147 1.00 0.00 C ATOM 1655 OG1 THR A 108 -2.861 16.556 -3.076 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.696 16.148 -5.410 1.00 0.00 C ATOM 0 H THR A 108 -1.912 14.427 -2.546 1.00 0.00 H new ATOM 0 HA THR A 108 -0.199 15.373 -4.750 1.00 0.00 H new ATOM 0 HB THR A 108 -1.491 17.530 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.592 17.175 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.508 16.854 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.017 16.161 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.106 15.145 -5.289 1.00 0.00 H new ATOM 1664 N SER A 109 -0.138 16.134 -1.548 1.00 0.00 N ATOM 1665 CA SER A 109 0.645 16.649 -0.414 1.00 0.00 C ATOM 1666 C SER A 109 1.907 15.817 -0.138 1.00 0.00 C ATOM 1667 O SER A 109 2.102 14.743 -0.704 1.00 0.00 O ATOM 1668 CB SER A 109 -0.233 16.672 0.848 1.00 0.00 C ATOM 1669 OG SER A 109 -1.408 17.445 0.646 1.00 0.00 O ATOM 0 H SER A 109 -0.985 15.654 -1.242 1.00 0.00 H new ATOM 0 HA SER A 109 0.969 17.656 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.508 15.653 1.121 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.336 17.083 1.682 1.00 0.00 H new ATOM 0 HG SER A 109 -1.947 17.440 1.464 1.00 0.00 H new ATOM 1675 N GLU A 110 2.771 16.299 0.758 1.00 0.00 N ATOM 1676 CA GLU A 110 4.047 15.663 1.112 1.00 0.00 C ATOM 1677 C GLU A 110 4.093 15.295 2.605 1.00 0.00 C ATOM 1678 O GLU A 110 4.218 16.160 3.475 1.00 0.00 O ATOM 1679 CB GLU A 110 5.232 16.542 0.680 1.00 0.00 C ATOM 1680 CG GLU A 110 5.120 17.008 -0.780 1.00 0.00 C ATOM 1681 CD GLU A 110 6.442 17.594 -1.314 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.955 18.584 -0.737 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.955 17.089 -2.342 1.00 0.00 O ATOM 0 H GLU A 110 2.601 17.164 1.272 1.00 0.00 H new ATOM 0 HA GLU A 110 4.130 14.725 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.290 17.413 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.160 15.984 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.820 16.167 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.335 17.760 -0.859 1.00 0.00 H new ATOM 1690 N PHE A 111 3.946 14.001 2.898 1.00 0.00 N ATOM 1691 CA PHE A 111 3.857 13.429 4.248 1.00 0.00 C ATOM 1692 C PHE A 111 5.222 12.877 4.684 1.00 0.00 C ATOM 1693 O PHE A 111 6.089 12.631 3.842 1.00 0.00 O ATOM 1694 CB PHE A 111 2.794 12.315 4.262 1.00 0.00 C ATOM 1695 CG PHE A 111 1.485 12.671 3.576 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.373 12.509 2.183 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.375 13.135 4.309 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.176 12.818 1.522 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.831 13.436 3.648 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.930 13.276 2.253 1.00 0.00 C ATOM 0 H PHE A 111 3.883 13.290 2.170 1.00 0.00 H new ATOM 0 HA PHE A 111 3.566 14.209 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.210 11.430 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.584 12.047 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.217 12.143 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.449 13.260 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.105 12.703 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.681 13.790 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.856 13.505 1.746 1.00 0.00 H new ATOM 1710 N TYR A 112 5.421 12.647 5.986 1.00 0.00 N ATOM 1711 CA TYR A 112 6.667 12.072 6.500 1.00 0.00 C ATOM 1712 C TYR A 112 6.761 10.587 6.117 1.00 0.00 C ATOM 1713 O TYR A 112 6.025 9.748 6.648 1.00 0.00 O ATOM 1714 CB TYR A 112 6.788 12.299 8.018 1.00 0.00 C ATOM 1715 CG TYR A 112 7.824 13.333 8.408 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.607 14.695 8.120 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.007 12.931 9.060 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.569 15.657 8.485 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.970 13.890 9.429 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.754 15.256 9.143 1.00 0.00 C ATOM 1721 OH TYR A 112 10.689 16.178 9.507 1.00 0.00 O ATOM 0 H TYR A 112 4.729 12.852 6.707 1.00 0.00 H new ATOM 0 HA TYR A 112 7.514 12.581 6.040 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.818 12.608 8.407 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.037 11.352 8.497 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.701 15.002 7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.175 11.886 9.277 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.401 16.700 8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.875 13.580 9.931 1.00 0.00 H new ATOM 0 HH TYR A 112 11.438 15.727 9.949 1.00 0.00 H new ATOM 1731 N LEU A 113 7.643 10.273 5.166 1.00 0.00 N ATOM 1732 CA LEU A 113 7.893 8.913 4.683 1.00 0.00 C ATOM 1733 C LEU A 113 9.164 8.318 5.307 1.00 0.00 C ATOM 1734 O LEU A 113 10.238 8.927 5.306 1.00 0.00 O ATOM 1735 CB LEU A 113 7.920 8.892 3.145 1.00 0.00 C ATOM 1736 CG LEU A 113 6.653 8.291 2.512 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.495 6.801 2.806 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.365 9.021 2.895 1.00 0.00 C ATOM 0 H LEU A 113 8.217 10.975 4.699 1.00 0.00 H new ATOM 0 HA LEU A 113 7.072 8.271 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.050 9.910 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.787 8.321 2.813 1.00 0.00 H new ATOM 0 HG LEU A 113 6.806 8.426 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.584 6.432 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.354 6.259 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.434 6.647 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.516 8.539 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.234 8.985 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.426 10.060 2.572 1.00 0.00 H new ATOM 1750 N SER A 114 9.031 7.108 5.842 1.00 0.00 N ATOM 1751 CA SER A 114 10.051 6.410 6.626 1.00 0.00 C ATOM 1752 C SER A 114 10.229 4.991 6.084 1.00 0.00 C ATOM 1753 O SER A 114 9.470 4.074 6.401 1.00 0.00 O ATOM 1754 CB SER A 114 9.654 6.461 8.105 1.00 0.00 C ATOM 1755 OG SER A 114 10.507 5.661 8.908 1.00 0.00 O ATOM 0 H SER A 114 8.175 6.563 5.738 1.00 0.00 H new ATOM 0 HA SER A 114 11.024 6.894 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.688 7.493 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.625 6.120 8.217 1.00 0.00 H new ATOM 0 HG SER A 114 10.008 5.325 9.682 1.00 0.00 H new ATOM 1761 N ASP A 115 11.198 4.818 5.188 1.00 0.00 N ATOM 1762 CA ASP A 115 11.636 3.508 4.711 1.00 0.00 C ATOM 1763 C ASP A 115 12.735 2.936 5.626 1.00 0.00 C ATOM 1764 O ASP A 115 13.427 3.652 6.356 1.00 0.00 O ATOM 1765 CB ASP A 115 12.204 3.631 3.287 1.00 0.00 C ATOM 1766 CG ASP A 115 11.155 4.021 2.236 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.482 3.103 1.709 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.049 5.222 1.893 1.00 0.00 O ATOM 0 H ASP A 115 11.708 5.594 4.767 1.00 0.00 H new ATOM 0 HA ASP A 115 10.773 2.842 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.001 4.375 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.655 2.681 3.002 1.00 0.00 H new ATOM 1773 N CYS A 116 12.973 1.636 5.487 1.00 0.00 N ATOM 1774 CA CYS A 116 14.244 0.979 5.793 1.00 0.00 C ATOM 1775 C CYS A 116 14.665 0.114 4.593 1.00 0.00 C ATOM 1776 O CYS A 116 13.865 -0.100 3.684 1.00 0.00 O ATOM 1777 CB CYS A 116 14.072 0.189 7.099 1.00 0.00 C ATOM 1778 SG CYS A 116 14.286 1.237 8.565 1.00 0.00 S ATOM 0 H CYS A 116 12.264 0.987 5.147 1.00 0.00 H new ATOM 0 HA CYS A 116 15.050 1.695 5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 116 13.081 -0.265 7.120 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.796 -0.625 7.127 1.00 0.00 H new ATOM 1783 N ASN A 117 15.902 -0.387 4.557 1.00 0.00 N ATOM 1784 CA ASN A 117 16.362 -1.358 3.554 1.00 0.00 C ATOM 1785 C ASN A 117 17.346 -2.340 4.201 1.00 0.00 C ATOM 1786 O ASN A 117 18.330 -1.902 4.798 1.00 0.00 O ATOM 1787 CB ASN A 117 17.014 -0.619 2.368 1.00 0.00 C ATOM 1788 CG ASN A 117 15.999 0.037 1.448 1.00 0.00 C ATOM 1789 OD1 ASN A 117 15.365 -0.609 0.625 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.829 1.336 1.531 1.00 0.00 N ATOM 0 H ASN A 117 16.623 -0.128 5.230 1.00 0.00 H new ATOM 0 HA ASN A 117 15.511 -1.924 3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.694 0.142 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.615 -1.324 1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.169 1.805 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.357 1.877 2.216 1.00 0.00 H new ATOM 1797 N VAL A 118 17.081 -3.647 4.120 1.00 0.00 N ATOM 1798 CA VAL A 118 17.969 -4.702 4.648 1.00 0.00 C ATOM 1799 C VAL A 118 19.399 -4.602 4.088 1.00 0.00 C ATOM 1800 O VAL A 118 19.608 -4.230 2.930 1.00 0.00 O ATOM 1801 CB VAL A 118 17.353 -6.100 4.418 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.140 -6.432 2.934 1.00 0.00 C ATOM 1803 CG2 VAL A 118 18.160 -7.233 5.063 1.00 0.00 C ATOM 0 H VAL A 118 16.236 -4.013 3.682 1.00 0.00 H new ATOM 0 HA VAL A 118 18.057 -4.547 5.723 1.00 0.00 H new ATOM 0 HB VAL A 118 16.382 -6.038 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 118 16.705 -7.427 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.466 -5.699 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.098 -6.406 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 118 17.672 -8.187 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.167 -7.246 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.216 -7.073 6.140 1.00 0.00 H new ATOM 1813 N THR A 119 20.394 -4.959 4.906 1.00 0.00 N ATOM 1814 CA THR A 119 21.816 -5.037 4.532 1.00 0.00 C ATOM 1815 C THR A 119 22.436 -6.366 4.996 1.00 0.00 C ATOM 1816 O THR A 119 23.065 -6.483 6.051 1.00 0.00 O ATOM 1817 CB THR A 119 22.585 -3.768 4.943 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.943 -3.864 4.565 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.499 -3.385 6.421 1.00 0.00 C ATOM 0 H THR A 119 20.230 -5.211 5.881 1.00 0.00 H new ATOM 0 HA THR A 119 21.900 -5.054 3.445 1.00 0.00 H new ATOM 0 HB THR A 119 22.079 -2.967 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.416 -3.048 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 119 23.077 -2.478 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.458 -3.210 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.901 -4.194 7.031 1.00 0.00 H new ATOM 1827 N SER A 120 22.182 -7.406 4.193 1.00 0.00 N ATOM 1828 CA SER A 120 22.657 -8.796 4.352 1.00 0.00 C ATOM 1829 C SER A 120 24.187 -8.921 4.394 1.00 0.00 C ATOM 1830 O SER A 120 24.697 -9.641 5.284 1.00 0.00 O ATOM 1831 CB SER A 120 22.112 -9.664 3.215 1.00 0.00 C ATOM 1832 OG SER A 120 20.693 -9.600 3.194 1.00 0.00 O ATOM 1833 OXT SER A 120 24.872 -8.340 3.520 1.00 0.00 O ATOM 0 H SER A 120 21.603 -7.298 3.360 1.00 0.00 H new ATOM 0 HA SER A 120 22.283 -9.139 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.514 -9.323 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.436 -10.696 3.347 1.00 0.00 H new ATOM 0 HG SER A 120 20.351 -10.156 2.463 1.00 0.00 H new