USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 0 GLY N :NH3+ -165:sc= 0.884 (180deg=0.71) USER MOD Single : A 1 MET CE :methyl -120:sc= 0 (180deg=-0.0223) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.02) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 159:sc= -0.051 (180deg=-0.967) USER MOD Single : A 26 GLN : amide:sc= 1.01 K(o=1,f=-6.1!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.69 (180deg=1.55) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -30:sc= -0.753 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.01) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.46 K(o=1.5,f=-6.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.219 K(o=0.22,f=-1.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00828 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.01 K(o=1,f=-11!) USER MOD Single : A 67 ASN : amide:sc= 0.181 K(o=0.18,f=-2.4!) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0.668 (180deg=0.557) USER MOD Single : A 71 ASN : amide:sc= 0.092 K(o=0.092,f=-2.1!) USER MOD Single : A 73 THR OG1 : rot 63:sc= 1.55 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.382 USER MOD Single : A 83 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.284 K(o=0.28,f=-3.7!) USER MOD Single : A 86 GLN : amide:sc= 1.25 K(o=1.2,f=-0.15) USER MOD Single : A 87 GLN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.21) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -1.437 -14.938 -20.724 1.00 0.00 N ATOM 2 CA GLY A 0 -2.757 -14.289 -20.592 1.00 0.00 C ATOM 3 C GLY A 0 -2.645 -12.777 -20.676 1.00 0.00 C ATOM 4 O GLY A 0 -2.958 -12.196 -21.717 1.00 0.00 O ATOM 0 H1 GLY A 0 -1.566 -15.952 -20.917 1.00 0.00 H new ATOM 0 H2 GLY A 0 -0.912 -14.501 -21.508 1.00 0.00 H new ATOM 0 H3 GLY A 0 -0.902 -14.819 -19.840 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -3.421 -14.650 -21.377 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -3.208 -14.569 -19.640 1.00 0.00 H new ATOM 10 N MET A 1 -2.204 -12.121 -19.597 1.00 0.00 N ATOM 11 CA MET A 1 -1.972 -10.666 -19.551 1.00 0.00 C ATOM 12 C MET A 1 -0.705 -10.247 -20.340 1.00 0.00 C ATOM 13 O MET A 1 0.149 -11.100 -20.615 1.00 0.00 O ATOM 14 CB MET A 1 -1.924 -10.196 -18.083 1.00 0.00 C ATOM 15 CG MET A 1 -0.677 -10.640 -17.303 1.00 0.00 C ATOM 16 SD MET A 1 -0.528 -9.930 -15.637 1.00 0.00 S ATOM 17 CE MET A 1 -1.862 -10.800 -14.768 1.00 0.00 C ATOM 0 H MET A 1 -1.994 -12.590 -18.716 1.00 0.00 H new ATOM 0 HA MET A 1 -2.805 -10.169 -20.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.979 -9.108 -18.063 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.809 -10.569 -17.568 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.685 -11.727 -17.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.209 -10.371 -17.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.581 -10.075 -14.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.363 -11.480 -15.457 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.445 -11.369 -13.937 1.00 0.00 H new ATOM 27 N PRO A 2 -0.537 -8.953 -20.689 1.00 0.00 N ATOM 28 CA PRO A 2 0.688 -8.441 -21.313 1.00 0.00 C ATOM 29 C PRO A 2 1.951 -8.692 -20.459 1.00 0.00 C ATOM 30 O PRO A 2 1.859 -8.713 -19.225 1.00 0.00 O ATOM 31 CB PRO A 2 0.447 -6.943 -21.539 1.00 0.00 C ATOM 32 CG PRO A 2 -1.074 -6.837 -21.617 1.00 0.00 C ATOM 33 CD PRO A 2 -1.528 -7.889 -20.608 1.00 0.00 C ATOM 0 HA PRO A 2 0.885 -8.965 -22.248 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.850 -6.344 -20.723 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.922 -6.593 -22.456 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.426 -5.840 -21.351 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.445 -7.049 -22.620 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.577 -7.473 -19.602 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.524 -8.260 -20.848 1.00 0.00 H new ATOM 41 N PRO A 3 3.135 -8.879 -21.075 1.00 0.00 N ATOM 42 CA PRO A 3 4.356 -9.260 -20.364 1.00 0.00 C ATOM 43 C PRO A 3 4.872 -8.162 -19.405 1.00 0.00 C ATOM 44 O PRO A 3 4.701 -6.968 -19.687 1.00 0.00 O ATOM 45 CB PRO A 3 5.382 -9.588 -21.457 1.00 0.00 C ATOM 46 CG PRO A 3 4.912 -8.751 -22.648 1.00 0.00 C ATOM 47 CD PRO A 3 3.393 -8.789 -22.505 1.00 0.00 C ATOM 0 HA PRO A 3 4.167 -10.113 -19.712 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.394 -9.320 -21.152 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.392 -10.652 -21.693 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.298 -7.732 -22.605 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.240 -9.176 -23.597 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.937 -7.895 -22.930 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.971 -9.644 -23.034 1.00 0.00 H new ATOM 55 N PRO A 4 5.540 -8.538 -18.294 1.00 0.00 N ATOM 56 CA PRO A 4 6.236 -7.600 -17.407 1.00 0.00 C ATOM 57 C PRO A 4 7.448 -6.962 -18.112 1.00 0.00 C ATOM 58 O PRO A 4 7.940 -7.498 -19.112 1.00 0.00 O ATOM 59 CB PRO A 4 6.648 -8.441 -16.200 1.00 0.00 C ATOM 60 CG PRO A 4 6.915 -9.811 -16.813 1.00 0.00 C ATOM 61 CD PRO A 4 5.823 -9.909 -17.878 1.00 0.00 C ATOM 0 HA PRO A 4 5.606 -6.760 -17.112 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.535 -8.038 -15.711 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.860 -8.482 -15.448 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.913 -9.875 -17.247 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.836 -10.609 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.155 -10.512 -18.723 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.929 -10.387 -17.477 1.00 0.00 H new ATOM 69 N ALA A 5 7.943 -5.823 -17.614 1.00 0.00 N ATOM 70 CA ALA A 5 8.990 -5.058 -18.306 1.00 0.00 C ATOM 71 C ALA A 5 9.894 -4.223 -17.389 1.00 0.00 C ATOM 72 O ALA A 5 9.491 -3.784 -16.310 1.00 0.00 O ATOM 73 CB ALA A 5 8.341 -4.146 -19.352 1.00 0.00 C ATOM 0 H ALA A 5 7.636 -5.409 -16.734 1.00 0.00 H new ATOM 0 HA ALA A 5 9.644 -5.798 -18.767 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.114 -3.576 -19.868 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.794 -4.752 -20.074 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.653 -3.460 -18.859 1.00 0.00 H new ATOM 79 N ASP A 6 11.121 -3.980 -17.871 1.00 0.00 N ATOM 80 CA ASP A 6 12.138 -3.102 -17.267 1.00 0.00 C ATOM 81 C ASP A 6 12.393 -3.384 -15.771 1.00 0.00 C ATOM 82 O ASP A 6 12.703 -2.485 -14.987 1.00 0.00 O ATOM 83 CB ASP A 6 11.841 -1.627 -17.606 1.00 0.00 C ATOM 84 CG ASP A 6 11.838 -1.299 -19.112 1.00 0.00 C ATOM 85 OD1 ASP A 6 12.349 -2.094 -19.938 1.00 0.00 O ATOM 86 OD2 ASP A 6 11.344 -0.204 -19.475 1.00 0.00 O ATOM 0 H ASP A 6 11.449 -4.411 -18.735 1.00 0.00 H new ATOM 0 HA ASP A 6 13.100 -3.340 -17.722 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.870 -1.361 -17.188 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.583 -0.999 -17.113 1.00 0.00 H new ATOM 91 N ILE A 7 12.235 -4.655 -15.380 1.00 0.00 N ATOM 92 CA ILE A 7 12.307 -5.129 -13.991 1.00 0.00 C ATOM 93 C ILE A 7 13.683 -4.834 -13.377 1.00 0.00 C ATOM 94 O ILE A 7 14.720 -5.132 -13.978 1.00 0.00 O ATOM 95 CB ILE A 7 11.980 -6.639 -13.879 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.665 -7.018 -14.600 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.919 -7.065 -12.397 1.00 0.00 C ATOM 98 CD1 ILE A 7 10.392 -8.529 -14.625 1.00 0.00 C ATOM 0 H ILE A 7 12.047 -5.407 -16.043 1.00 0.00 H new ATOM 0 HA ILE A 7 11.551 -4.582 -13.428 1.00 0.00 H new ATOM 0 HB ILE A 7 12.785 -7.177 -14.379 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.833 -6.515 -14.108 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.702 -6.647 -15.624 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.688 -8.128 -12.333 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.882 -6.874 -11.923 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.144 -6.494 -11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.454 -8.721 -15.146 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.205 -9.037 -15.143 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.323 -8.903 -13.604 1.00 0.00 H new ATOM 110 N VAL A 8 13.691 -4.292 -12.156 1.00 0.00 N ATOM 111 CA VAL A 8 14.901 -3.894 -11.416 1.00 0.00 C ATOM 112 C VAL A 8 14.878 -4.358 -9.957 1.00 0.00 C ATOM 113 O VAL A 8 13.902 -4.142 -9.237 1.00 0.00 O ATOM 114 CB VAL A 8 15.146 -2.372 -11.504 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.672 -1.988 -12.889 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.917 -1.507 -11.187 1.00 0.00 C ATOM 0 H VAL A 8 12.832 -4.111 -11.636 1.00 0.00 H new ATOM 0 HA VAL A 8 15.735 -4.402 -11.900 1.00 0.00 H new ATOM 0 HB VAL A 8 15.887 -2.165 -10.731 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.838 -0.911 -12.930 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.611 -2.507 -13.078 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.942 -2.271 -13.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.182 -0.453 -11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.117 -1.739 -11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.578 -1.714 -10.172 1.00 0.00 H new ATOM 126 N LYS A 9 15.975 -4.979 -9.505 1.00 0.00 N ATOM 127 CA LYS A 9 16.213 -5.314 -8.088 1.00 0.00 C ATOM 128 C LYS A 9 16.408 -4.051 -7.254 1.00 0.00 C ATOM 129 O LYS A 9 17.101 -3.129 -7.685 1.00 0.00 O ATOM 130 CB LYS A 9 17.449 -6.219 -7.937 1.00 0.00 C ATOM 131 CG LYS A 9 17.182 -7.643 -8.436 1.00 0.00 C ATOM 132 CD LYS A 9 18.488 -8.449 -8.518 1.00 0.00 C ATOM 133 CE LYS A 9 18.338 -9.810 -9.215 1.00 0.00 C ATOM 134 NZ LYS A 9 17.449 -10.747 -8.481 1.00 0.00 N ATOM 0 H LYS A 9 16.736 -5.269 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 9 15.334 -5.847 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.282 -5.790 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.748 -6.252 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.483 -8.143 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.710 -7.606 -9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.234 -7.860 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.869 -8.609 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.943 -9.655 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.322 -10.265 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.583 -11.711 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.683 -10.726 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.458 -10.461 -8.613 1.00 0.00 H new ATOM 148 N VAL A 10 15.872 -4.053 -6.041 1.00 0.00 N ATOM 149 CA VAL A 10 16.032 -2.971 -5.046 1.00 0.00 C ATOM 150 C VAL A 10 16.172 -3.515 -3.623 1.00 0.00 C ATOM 151 O VAL A 10 15.664 -4.593 -3.304 1.00 0.00 O ATOM 152 CB VAL A 10 14.896 -1.922 -5.109 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.825 -1.219 -6.469 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.512 -2.498 -4.791 1.00 0.00 C ATOM 0 H VAL A 10 15.296 -4.823 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 10 16.960 -2.465 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 10 15.157 -1.201 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.012 -0.493 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.767 -0.707 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.645 -1.957 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.765 -1.707 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.271 -3.282 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.514 -2.915 -3.784 1.00 0.00 H new ATOM 164 N ALA A 11 16.840 -2.748 -2.760 1.00 0.00 N ATOM 165 CA ALA A 11 16.928 -2.989 -1.318 1.00 0.00 C ATOM 166 C ALA A 11 16.232 -1.847 -0.561 1.00 0.00 C ATOM 167 O ALA A 11 16.611 -0.688 -0.725 1.00 0.00 O ATOM 168 CB ALA A 11 18.407 -3.120 -0.927 1.00 0.00 C ATOM 0 H ALA A 11 17.351 -1.916 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 11 16.421 -3.916 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.485 -3.300 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.854 -3.954 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.933 -2.199 -1.180 1.00 0.00 H new ATOM 174 N ILE A 12 15.207 -2.150 0.238 1.00 0.00 N ATOM 175 CA ILE A 12 14.338 -1.142 0.868 1.00 0.00 C ATOM 176 C ILE A 12 14.617 -1.054 2.370 1.00 0.00 C ATOM 177 O ILE A 12 14.497 -2.039 3.097 1.00 0.00 O ATOM 178 CB ILE A 12 12.849 -1.415 0.563 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.617 -1.533 -0.963 1.00 0.00 C ATOM 180 CG2 ILE A 12 11.970 -0.297 1.167 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.220 -2.023 -1.330 1.00 0.00 C ATOM 0 H ILE A 12 14.951 -3.109 0.471 1.00 0.00 H new ATOM 0 HA ILE A 12 14.570 -0.168 0.437 1.00 0.00 H new ATOM 0 HB ILE A 12 12.567 -2.363 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.785 -0.560 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.355 -2.216 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.922 -0.499 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.114 -0.265 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.254 0.662 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.128 -2.082 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.055 -3.010 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.476 -1.328 -0.940 1.00 0.00 H new ATOM 193 N GLU A 13 14.977 0.137 2.832 1.00 0.00 N ATOM 194 CA GLU A 13 15.240 0.474 4.237 1.00 0.00 C ATOM 195 C GLU A 13 13.966 0.838 5.022 1.00 0.00 C ATOM 196 O GLU A 13 13.027 1.431 4.481 1.00 0.00 O ATOM 197 CB GLU A 13 16.227 1.656 4.301 1.00 0.00 C ATOM 198 CG GLU A 13 17.657 1.317 3.845 1.00 0.00 C ATOM 199 CD GLU A 13 18.494 0.578 4.911 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.737 0.505 4.747 1.00 0.00 O ATOM 201 OE2 GLU A 13 17.937 0.077 5.918 1.00 0.00 O ATOM 0 H GLU A 13 15.101 0.937 2.212 1.00 0.00 H new ATOM 0 HA GLU A 13 15.661 -0.417 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.844 2.467 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.264 2.027 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.605 0.702 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.169 2.239 3.570 1.00 0.00 H new ATOM 208 N TRP A 14 13.978 0.548 6.327 1.00 0.00 N ATOM 209 CA TRP A 14 12.990 0.991 7.320 1.00 0.00 C ATOM 210 C TRP A 14 13.609 0.972 8.737 1.00 0.00 C ATOM 211 O TRP A 14 14.392 0.058 9.026 1.00 0.00 O ATOM 212 CB TRP A 14 11.740 0.101 7.253 1.00 0.00 C ATOM 213 CG TRP A 14 10.666 0.443 8.239 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.400 -0.233 9.378 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.749 1.581 8.231 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.384 0.398 10.071 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.953 1.532 9.417 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.550 2.682 7.371 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.992 2.508 9.718 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.591 3.672 7.666 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.808 3.584 8.832 1.00 0.00 C ATOM 0 H TRP A 14 14.711 -0.029 6.741 1.00 0.00 H new ATOM 0 HA TRP A 14 12.693 2.015 7.094 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.322 0.162 6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.041 -0.935 7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.905 -1.132 9.699 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.001 0.066 10.956 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.142 2.767 6.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.401 2.434 10.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.456 4.505 6.992 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.068 4.341 9.046 1.00 0.00 H new ATOM 232 N PRO A 15 13.310 1.935 9.639 1.00 0.00 N ATOM 233 CA PRO A 15 13.932 1.997 10.965 1.00 0.00 C ATOM 234 C PRO A 15 13.664 0.752 11.827 1.00 0.00 C ATOM 235 O PRO A 15 12.542 0.241 11.883 1.00 0.00 O ATOM 236 CB PRO A 15 13.398 3.274 11.625 1.00 0.00 C ATOM 237 CG PRO A 15 13.041 4.156 10.431 1.00 0.00 C ATOM 238 CD PRO A 15 12.507 3.132 9.432 1.00 0.00 C ATOM 0 HA PRO A 15 15.017 2.019 10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.529 3.071 12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.148 3.742 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.293 4.906 10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.909 4.690 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.450 2.930 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.600 3.496 8.409 1.00 0.00 H new ATOM 246 N GLY A 16 14.699 0.269 12.520 1.00 0.00 N ATOM 247 CA GLY A 16 14.623 -0.910 13.398 1.00 0.00 C ATOM 248 C GLY A 16 14.488 -2.264 12.677 1.00 0.00 C ATOM 249 O GLY A 16 14.187 -3.265 13.330 1.00 0.00 O ATOM 0 H GLY A 16 15.628 0.689 12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.518 -0.937 14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.772 -0.788 14.068 1.00 0.00 H new ATOM 253 N ALA A 17 14.704 -2.313 11.356 1.00 0.00 N ATOM 254 CA ALA A 17 14.593 -3.516 10.524 1.00 0.00 C ATOM 255 C ALA A 17 15.769 -3.665 9.537 1.00 0.00 C ATOM 256 O ALA A 17 16.389 -2.681 9.122 1.00 0.00 O ATOM 257 CB ALA A 17 13.247 -3.483 9.787 1.00 0.00 C ATOM 0 H ALA A 17 14.970 -1.487 10.820 1.00 0.00 H new ATOM 0 HA ALA A 17 14.639 -4.391 11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.151 -4.372 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.435 -3.460 10.514 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.198 -2.593 9.159 1.00 0.00 H new ATOM 263 N TYR A 18 16.060 -4.907 9.138 1.00 0.00 N ATOM 264 CA TYR A 18 16.998 -5.214 8.049 1.00 0.00 C ATOM 265 C TYR A 18 16.401 -4.851 6.670 1.00 0.00 C ATOM 266 O TYR A 18 15.172 -4.887 6.520 1.00 0.00 O ATOM 267 CB TYR A 18 17.389 -6.698 8.103 1.00 0.00 C ATOM 268 CG TYR A 18 18.053 -7.120 9.402 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.390 -6.755 9.656 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.335 -7.866 10.359 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.010 -7.131 10.864 1.00 0.00 C ATOM 272 CE2 TYR A 18 17.952 -8.244 11.568 1.00 0.00 C ATOM 273 CZ TYR A 18 19.291 -7.877 11.825 1.00 0.00 C ATOM 274 OH TYR A 18 19.880 -8.246 12.996 1.00 0.00 O ATOM 0 H TYR A 18 15.648 -5.737 9.565 1.00 0.00 H new ATOM 0 HA TYR A 18 17.893 -4.606 8.184 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.495 -7.303 7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.065 -6.914 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.941 -6.185 8.923 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.311 -8.148 10.165 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.035 -6.849 11.056 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.400 -8.815 12.299 1.00 0.00 H new ATOM 0 HH TYR A 18 19.240 -8.752 13.539 1.00 0.00 H new ATOM 284 N PRO A 19 17.219 -4.531 5.644 1.00 0.00 N ATOM 285 CA PRO A 19 16.715 -4.147 4.324 1.00 0.00 C ATOM 286 C PRO A 19 15.894 -5.256 3.647 1.00 0.00 C ATOM 287 O PRO A 19 16.339 -6.406 3.559 1.00 0.00 O ATOM 288 CB PRO A 19 17.942 -3.767 3.485 1.00 0.00 C ATOM 289 CG PRO A 19 18.994 -3.412 4.533 1.00 0.00 C ATOM 290 CD PRO A 19 18.665 -4.355 5.688 1.00 0.00 C ATOM 0 HA PRO A 19 16.022 -3.311 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.268 -4.593 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.732 -2.925 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.005 -3.571 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 19 18.926 -2.367 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.180 -5.309 5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 19 18.981 -3.933 6.642 1.00 0.00 H new ATOM 298 N LYS A 20 14.712 -4.910 3.125 1.00 0.00 N ATOM 299 CA LYS A 20 13.871 -5.809 2.320 1.00 0.00 C ATOM 300 C LYS A 20 14.349 -5.812 0.867 1.00 0.00 C ATOM 301 O LYS A 20 14.175 -4.826 0.152 1.00 0.00 O ATOM 302 CB LYS A 20 12.391 -5.407 2.466 1.00 0.00 C ATOM 303 CG LYS A 20 11.449 -6.275 1.614 1.00 0.00 C ATOM 304 CD LYS A 20 9.980 -6.023 1.992 1.00 0.00 C ATOM 305 CE LYS A 20 8.991 -6.801 1.109 1.00 0.00 C ATOM 306 NZ LYS A 20 9.102 -8.276 1.273 1.00 0.00 N ATOM 0 H LYS A 20 14.305 -3.983 3.251 1.00 0.00 H new ATOM 0 HA LYS A 20 13.961 -6.833 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.100 -5.484 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.273 -4.362 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.600 -6.054 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.690 -7.328 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.826 -6.302 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.768 -4.957 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.975 -6.490 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.164 -6.543 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.412 -8.747 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.062 -8.582 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.909 -8.531 2.263 1.00 0.00 H new ATOM 320 N LEU A 21 14.950 -6.918 0.431 1.00 0.00 N ATOM 321 CA LEU A 21 15.269 -7.161 -0.979 1.00 0.00 C ATOM 322 C LEU A 21 13.993 -7.519 -1.754 1.00 0.00 C ATOM 323 O LEU A 21 13.220 -8.378 -1.319 1.00 0.00 O ATOM 324 CB LEU A 21 16.320 -8.283 -1.095 1.00 0.00 C ATOM 325 CG LEU A 21 17.717 -7.897 -0.573 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.592 -9.144 -0.440 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.425 -6.924 -1.519 1.00 0.00 C ATOM 0 H LEU A 21 15.232 -7.678 1.050 1.00 0.00 H new ATOM 0 HA LEU A 21 15.688 -6.254 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.967 -9.155 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.404 -8.580 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 21 17.575 -7.418 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.577 -8.859 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.129 -9.840 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.694 -9.622 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.407 -6.675 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.541 -7.388 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.832 -6.015 -1.616 1.00 0.00 H new ATOM 339 N MET A 22 13.779 -6.881 -2.906 1.00 0.00 N ATOM 340 CA MET A 22 12.657 -7.164 -3.811 1.00 0.00 C ATOM 341 C MET A 22 12.984 -6.788 -5.270 1.00 0.00 C ATOM 342 O MET A 22 14.063 -6.271 -5.564 1.00 0.00 O ATOM 343 CB MET A 22 11.385 -6.452 -3.301 1.00 0.00 C ATOM 344 CG MET A 22 11.358 -4.938 -3.545 1.00 0.00 C ATOM 345 SD MET A 22 9.737 -4.251 -3.984 1.00 0.00 S ATOM 346 CE MET A 22 8.760 -4.814 -2.569 1.00 0.00 C ATOM 0 H MET A 22 14.391 -6.139 -3.245 1.00 0.00 H new ATOM 0 HA MET A 22 12.475 -8.239 -3.811 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.516 -6.900 -3.783 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.286 -6.636 -2.231 1.00 0.00 H new ATOM 0 HG2 MET A 22 11.716 -4.436 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.062 -4.703 -4.343 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.868 -4.195 -2.473 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.466 -5.853 -2.720 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.356 -4.734 -1.660 1.00 0.00 H new ATOM 356 N GLU A 23 12.035 -7.003 -6.183 1.00 0.00 N ATOM 357 CA GLU A 23 12.101 -6.555 -7.579 1.00 0.00 C ATOM 358 C GLU A 23 10.894 -5.678 -7.942 1.00 0.00 C ATOM 359 O GLU A 23 9.741 -6.093 -7.790 1.00 0.00 O ATOM 360 CB GLU A 23 12.200 -7.768 -8.517 1.00 0.00 C ATOM 361 CG GLU A 23 13.616 -8.358 -8.518 1.00 0.00 C ATOM 362 CD GLU A 23 13.731 -9.723 -9.221 1.00 0.00 C ATOM 363 OE1 GLU A 23 12.834 -10.122 -10.003 1.00 0.00 O ATOM 364 OE2 GLU A 23 14.758 -10.408 -8.989 1.00 0.00 O ATOM 0 H GLU A 23 11.175 -7.507 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 23 12.995 -5.944 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.486 -8.531 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.927 -7.471 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.291 -7.653 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.954 -8.463 -7.487 1.00 0.00 H new ATOM 371 N ILE A 24 11.161 -4.471 -8.448 1.00 0.00 N ATOM 372 CA ILE A 24 10.154 -3.554 -8.992 1.00 0.00 C ATOM 373 C ILE A 24 9.928 -3.886 -10.471 1.00 0.00 C ATOM 374 O ILE A 24 10.806 -3.671 -11.309 1.00 0.00 O ATOM 375 CB ILE A 24 10.578 -2.080 -8.763 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.495 -1.766 -7.249 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.726 -1.086 -9.581 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.942 -0.353 -6.854 1.00 0.00 C ATOM 0 H ILE A 24 12.108 -4.094 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 24 9.205 -3.681 -8.471 1.00 0.00 H new ATOM 0 HB ILE A 24 11.603 -1.959 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.466 -1.911 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.107 -2.489 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.064 -0.069 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.832 -1.304 -10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.679 -1.182 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.847 -0.230 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.982 -0.205 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.315 0.382 -7.359 1.00 0.00 H new ATOM 390 N ASP A 25 8.747 -4.417 -10.788 1.00 0.00 N ATOM 391 CA ASP A 25 8.252 -4.563 -12.160 1.00 0.00 C ATOM 392 C ASP A 25 7.629 -3.233 -12.595 1.00 0.00 C ATOM 393 O ASP A 25 6.679 -2.762 -11.964 1.00 0.00 O ATOM 394 CB ASP A 25 7.207 -5.689 -12.213 1.00 0.00 C ATOM 395 CG ASP A 25 6.533 -5.873 -13.586 1.00 0.00 C ATOM 396 OD1 ASP A 25 6.980 -5.274 -14.592 1.00 0.00 O ATOM 397 OD2 ASP A 25 5.534 -6.623 -13.639 1.00 0.00 O ATOM 0 H ASP A 25 8.094 -4.765 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 25 9.069 -4.820 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.687 -6.626 -11.930 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.437 -5.488 -11.469 1.00 0.00 H new ATOM 402 N GLN A 26 8.122 -2.624 -13.676 1.00 0.00 N ATOM 403 CA GLN A 26 7.603 -1.333 -14.139 1.00 0.00 C ATOM 404 C GLN A 26 6.176 -1.427 -14.722 1.00 0.00 C ATOM 405 O GLN A 26 5.530 -0.395 -14.910 1.00 0.00 O ATOM 406 CB GLN A 26 8.603 -0.644 -15.083 1.00 0.00 C ATOM 407 CG GLN A 26 10.030 -0.481 -14.507 1.00 0.00 C ATOM 408 CD GLN A 26 10.192 0.512 -13.353 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.268 0.882 -12.640 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.394 0.998 -13.130 1.00 0.00 N ATOM 0 H GLN A 26 8.878 -3.002 -14.247 1.00 0.00 H new ATOM 0 HA GLN A 26 7.499 -0.693 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.663 -1.217 -16.008 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.216 0.341 -15.343 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.374 -1.458 -14.167 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.692 -0.174 -15.317 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.179 0.704 -13.711 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.541 1.669 -12.376 1.00 0.00 H new ATOM 419 N LYS A 27 5.643 -2.641 -14.950 1.00 0.00 N ATOM 420 CA LYS A 27 4.227 -2.881 -15.291 1.00 0.00 C ATOM 421 C LYS A 27 3.294 -3.018 -14.077 1.00 0.00 C ATOM 422 O LYS A 27 2.080 -2.921 -14.253 1.00 0.00 O ATOM 423 CB LYS A 27 4.104 -4.123 -16.191 1.00 0.00 C ATOM 424 CG LYS A 27 4.783 -3.997 -17.554 1.00 0.00 C ATOM 425 CD LYS A 27 4.073 -2.985 -18.463 1.00 0.00 C ATOM 426 CE LYS A 27 4.636 -3.073 -19.880 1.00 0.00 C ATOM 427 NZ LYS A 27 4.199 -4.300 -20.593 1.00 0.00 N ATOM 0 H LYS A 27 6.193 -3.499 -14.902 1.00 0.00 H new ATOM 0 HA LYS A 27 3.896 -1.988 -15.821 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.530 -4.978 -15.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.047 -4.339 -16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.820 -3.693 -17.415 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.800 -4.972 -18.041 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.001 -3.184 -18.475 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.206 -1.976 -18.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.322 -2.197 -20.447 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.725 -3.051 -19.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.761 -4.416 -21.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.338 -5.127 -19.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.192 -4.218 -20.841 1.00 0.00 H new ATOM 441 N LYS A 28 3.807 -3.223 -12.855 1.00 0.00 N ATOM 442 CA LYS A 28 2.995 -3.217 -11.619 1.00 0.00 C ATOM 443 C LYS A 28 2.871 -1.799 -11.045 1.00 0.00 C ATOM 444 O LYS A 28 3.867 -1.075 -11.050 1.00 0.00 O ATOM 445 CB LYS A 28 3.581 -4.168 -10.562 1.00 0.00 C ATOM 446 CG LYS A 28 3.202 -5.626 -10.852 1.00 0.00 C ATOM 447 CD LYS A 28 3.807 -6.609 -9.837 1.00 0.00 C ATOM 448 CE LYS A 28 3.188 -6.460 -8.439 1.00 0.00 C ATOM 449 NZ LYS A 28 3.702 -7.497 -7.504 1.00 0.00 N ATOM 0 H LYS A 28 4.798 -3.398 -12.691 1.00 0.00 H new ATOM 0 HA LYS A 28 1.999 -3.571 -11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.666 -4.069 -10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.218 -3.885 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.116 -5.724 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.538 -5.892 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.659 -7.629 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.883 -6.446 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.412 -5.469 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.103 -6.537 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.265 -7.369 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.467 -8.442 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.735 -7.406 -7.419 1.00 0.00 H new ATOM 463 N PRO A 29 1.707 -1.383 -10.516 1.00 0.00 N ATOM 464 CA PRO A 29 1.531 -0.070 -9.891 1.00 0.00 C ATOM 465 C PRO A 29 2.323 0.039 -8.585 1.00 0.00 C ATOM 466 O PRO A 29 2.398 -0.920 -7.810 1.00 0.00 O ATOM 467 CB PRO A 29 0.026 0.067 -9.639 1.00 0.00 C ATOM 468 CG PRO A 29 -0.464 -1.374 -9.523 1.00 0.00 C ATOM 469 CD PRO A 29 0.493 -2.177 -10.401 1.00 0.00 C ATOM 0 HA PRO A 29 1.905 0.728 -10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.176 0.631 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.469 0.592 -10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.439 -1.720 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.494 -1.472 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.705 -3.149 -9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.056 -2.364 -11.382 1.00 0.00 H new ATOM 477 N LEU A 30 2.866 1.225 -8.304 1.00 0.00 N ATOM 478 CA LEU A 30 3.604 1.486 -7.065 1.00 0.00 C ATOM 479 C LEU A 30 2.736 1.259 -5.823 1.00 0.00 C ATOM 480 O LEU A 30 3.246 0.764 -4.826 1.00 0.00 O ATOM 481 CB LEU A 30 4.156 2.920 -7.074 1.00 0.00 C ATOM 482 CG LEU A 30 5.305 3.130 -8.073 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.468 4.621 -8.337 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.634 2.579 -7.549 1.00 0.00 C ATOM 0 H LEU A 30 2.807 2.031 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 30 4.432 0.779 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.347 3.610 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.505 3.172 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 30 5.051 2.592 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.282 4.778 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.543 5.020 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.696 5.133 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.416 2.750 -8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.897 3.085 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.537 1.509 -7.365 1.00 0.00 H new ATOM 496 N SER A 31 1.429 1.531 -5.881 1.00 0.00 N ATOM 497 CA SER A 31 0.495 1.278 -4.773 1.00 0.00 C ATOM 498 C SER A 31 0.464 -0.200 -4.351 1.00 0.00 C ATOM 499 O SER A 31 0.529 -0.501 -3.158 1.00 0.00 O ATOM 500 CB SER A 31 -0.919 1.727 -5.164 1.00 0.00 C ATOM 501 OG SER A 31 -0.910 3.082 -5.589 1.00 0.00 O ATOM 0 H SER A 31 0.983 1.936 -6.704 1.00 0.00 H new ATOM 0 HA SER A 31 0.852 1.856 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.301 1.091 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.592 1.610 -4.315 1.00 0.00 H new ATOM 0 HG SER A 31 -1.819 3.353 -5.837 1.00 0.00 H new ATOM 507 N ALA A 32 0.432 -1.129 -5.316 1.00 0.00 N ATOM 508 CA ALA A 32 0.493 -2.569 -5.040 1.00 0.00 C ATOM 509 C ALA A 32 1.879 -3.004 -4.530 1.00 0.00 C ATOM 510 O ALA A 32 1.977 -3.812 -3.607 1.00 0.00 O ATOM 511 CB ALA A 32 0.107 -3.333 -6.311 1.00 0.00 C ATOM 0 H ALA A 32 0.363 -0.903 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.212 -2.802 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.149 -4.405 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.905 -3.057 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.802 -3.081 -7.112 1.00 0.00 H new ATOM 517 N ILE A 33 2.954 -2.434 -5.088 1.00 0.00 N ATOM 518 CA ILE A 33 4.331 -2.688 -4.640 1.00 0.00 C ATOM 519 C ILE A 33 4.519 -2.215 -3.190 1.00 0.00 C ATOM 520 O ILE A 33 5.001 -2.976 -2.360 1.00 0.00 O ATOM 521 CB ILE A 33 5.340 -2.028 -5.612 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.255 -2.702 -7.004 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.776 -2.103 -5.062 1.00 0.00 C ATOM 524 CD1 ILE A 33 6.004 -1.960 -8.116 1.00 0.00 C ATOM 0 H ILE A 33 2.894 -1.779 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 33 4.524 -3.761 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 33 5.078 -0.975 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.652 -3.714 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.206 -2.792 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.461 -1.631 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.827 -1.584 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.059 -3.147 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.891 -2.502 -9.055 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.593 -0.956 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.062 -1.893 -7.861 1.00 0.00 H new ATOM 536 N ILE A 34 4.077 -1.005 -2.845 1.00 0.00 N ATOM 537 CA ILE A 34 4.159 -0.433 -1.492 1.00 0.00 C ATOM 538 C ILE A 34 3.345 -1.265 -0.488 1.00 0.00 C ATOM 539 O ILE A 34 3.810 -1.476 0.634 1.00 0.00 O ATOM 540 CB ILE A 34 3.737 1.055 -1.530 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.810 1.894 -2.268 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.526 1.642 -0.124 1.00 0.00 C ATOM 543 CD1 ILE A 34 4.281 3.230 -2.803 1.00 0.00 C ATOM 0 H ILE A 34 3.638 -0.374 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 34 5.191 -0.471 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 34 2.786 1.099 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.640 2.087 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.208 1.311 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.231 2.688 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.743 1.084 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.454 1.571 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.086 3.764 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.471 3.044 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.910 3.833 -1.974 1.00 0.00 H new ATOM 555 N LYS A 35 2.191 -1.820 -0.889 1.00 0.00 N ATOM 556 CA LYS A 35 1.435 -2.791 -0.078 1.00 0.00 C ATOM 557 C LYS A 35 2.236 -4.076 0.195 1.00 0.00 C ATOM 558 O LYS A 35 2.229 -4.590 1.312 1.00 0.00 O ATOM 559 CB LYS A 35 0.080 -3.081 -0.747 1.00 0.00 C ATOM 560 CG LYS A 35 -0.879 -3.811 0.204 1.00 0.00 C ATOM 561 CD LYS A 35 -2.216 -4.114 -0.485 1.00 0.00 C ATOM 562 CE LYS A 35 -3.182 -4.759 0.516 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.478 -5.114 -0.119 1.00 0.00 N ATOM 0 H LYS A 35 1.754 -1.609 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 35 1.250 -2.349 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.373 -2.144 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.237 -3.686 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.422 -4.741 0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.053 -3.200 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.648 -3.195 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.056 -4.781 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.725 -5.655 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.359 -4.073 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.104 -5.547 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.926 -4.255 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.312 -5.788 -0.893 1.00 0.00 H new ATOM 577 N GLU A 36 2.983 -4.572 -0.792 1.00 0.00 N ATOM 578 CA GLU A 36 3.908 -5.696 -0.633 1.00 0.00 C ATOM 579 C GLU A 36 5.152 -5.348 0.216 1.00 0.00 C ATOM 580 O GLU A 36 5.692 -6.232 0.884 1.00 0.00 O ATOM 581 CB GLU A 36 4.290 -6.203 -2.034 1.00 0.00 C ATOM 582 CG GLU A 36 3.190 -7.040 -2.709 1.00 0.00 C ATOM 583 CD GLU A 36 2.839 -8.339 -1.953 1.00 0.00 C ATOM 584 OE1 GLU A 36 3.753 -9.017 -1.426 1.00 0.00 O ATOM 585 OE2 GLU A 36 1.640 -8.705 -1.907 1.00 0.00 O ATOM 0 H GLU A 36 2.962 -4.198 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 36 3.406 -6.485 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.525 -5.348 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.197 -6.803 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.290 -6.432 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.510 -7.295 -3.720 1.00 0.00 H new ATOM 592 N VAL A 37 5.589 -4.078 0.263 1.00 0.00 N ATOM 593 CA VAL A 37 6.624 -3.614 1.211 1.00 0.00 C ATOM 594 C VAL A 37 6.087 -3.614 2.647 1.00 0.00 C ATOM 595 O VAL A 37 6.667 -4.262 3.520 1.00 0.00 O ATOM 596 CB VAL A 37 7.180 -2.207 0.891 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.343 -1.861 1.829 1.00 0.00 C ATOM 598 CG2 VAL A 37 7.735 -2.062 -0.523 1.00 0.00 C ATOM 0 H VAL A 37 5.238 -3.344 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 37 7.445 -4.323 1.106 1.00 0.00 H new ATOM 0 HB VAL A 37 6.323 -1.545 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.721 -0.867 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.995 -1.877 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.141 -2.593 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.105 -1.047 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.552 -2.769 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.946 -2.266 -1.246 1.00 0.00 H new ATOM 608 N CYS A 38 4.992 -2.889 2.902 1.00 0.00 N ATOM 609 CA CYS A 38 4.499 -2.617 4.255 1.00 0.00 C ATOM 610 C CYS A 38 4.062 -3.895 4.992 1.00 0.00 C ATOM 611 O CYS A 38 4.313 -4.022 6.190 1.00 0.00 O ATOM 612 CB CYS A 38 3.395 -1.548 4.174 1.00 0.00 C ATOM 613 SG CYS A 38 1.834 -2.206 3.537 1.00 0.00 S ATOM 0 H CYS A 38 4.419 -2.472 2.168 1.00 0.00 H new ATOM 0 HA CYS A 38 5.313 -2.223 4.863 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.230 -1.126 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.730 -0.733 3.533 1.00 0.00 H new ATOM 0 HG CYS A 38 2.078 -3.182 2.713 1.00 0.00 H new ATOM 619 N ASP A 39 3.504 -4.881 4.279 1.00 0.00 N ATOM 620 CA ASP A 39 3.144 -6.196 4.825 1.00 0.00 C ATOM 621 C ASP A 39 4.361 -6.984 5.357 1.00 0.00 C ATOM 622 O ASP A 39 4.232 -7.766 6.299 1.00 0.00 O ATOM 623 CB ASP A 39 2.425 -6.999 3.730 1.00 0.00 C ATOM 624 CG ASP A 39 1.831 -8.320 4.249 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.026 -9.369 3.588 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.131 -8.313 5.290 1.00 0.00 O ATOM 0 H ASP A 39 3.286 -4.786 3.287 1.00 0.00 H new ATOM 0 HA ASP A 39 2.489 -6.037 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.627 -6.390 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.127 -7.214 2.924 1.00 0.00 H new ATOM 631 N GLY A 40 5.560 -6.738 4.809 1.00 0.00 N ATOM 632 CA GLY A 40 6.822 -7.328 5.278 1.00 0.00 C ATOM 633 C GLY A 40 7.234 -6.884 6.690 1.00 0.00 C ATOM 634 O GLY A 40 7.952 -7.614 7.378 1.00 0.00 O ATOM 0 H GLY A 40 5.682 -6.112 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.731 -8.414 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.616 -7.064 4.579 1.00 0.00 H new ATOM 638 N TRP A 41 6.738 -5.727 7.146 1.00 0.00 N ATOM 639 CA TRP A 41 6.946 -5.164 8.486 1.00 0.00 C ATOM 640 C TRP A 41 5.629 -4.946 9.263 1.00 0.00 C ATOM 641 O TRP A 41 5.613 -4.256 10.285 1.00 0.00 O ATOM 642 CB TRP A 41 7.787 -3.887 8.343 1.00 0.00 C ATOM 643 CG TRP A 41 9.136 -4.071 7.709 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.055 -4.996 8.073 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.738 -3.336 6.594 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.167 -4.899 7.258 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.031 -3.888 6.336 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.327 -2.263 5.773 1.00 0.00 C ATOM 649 CZ2 TRP A 41 11.870 -3.405 5.322 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.164 -1.772 4.752 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.427 -2.341 4.523 1.00 0.00 C ATOM 0 H TRP A 41 6.153 -5.129 6.563 1.00 0.00 H new ATOM 0 HA TRP A 41 7.491 -5.882 9.099 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.223 -3.165 7.753 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.926 -3.451 9.332 1.00 0.00 H new ATOM 0 HD1 TRP A 41 9.937 -5.704 8.880 1.00 0.00 H new ATOM 0 HE1 TRP A 41 11.986 -5.502 7.331 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.358 -1.813 5.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.842 -3.845 5.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.830 -0.948 4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.057 -1.960 3.733 1.00 0.00 H new ATOM 662 N SER A 42 4.521 -5.531 8.786 1.00 0.00 N ATOM 663 CA SER A 42 3.162 -5.418 9.351 1.00 0.00 C ATOM 664 C SER A 42 2.647 -3.969 9.497 1.00 0.00 C ATOM 665 O SER A 42 1.850 -3.672 10.391 1.00 0.00 O ATOM 666 CB SER A 42 3.039 -6.213 10.664 1.00 0.00 C ATOM 667 OG SER A 42 3.464 -7.563 10.505 1.00 0.00 O ATOM 0 H SER A 42 4.545 -6.124 7.957 1.00 0.00 H new ATOM 0 HA SER A 42 2.499 -5.869 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.637 -5.732 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.004 -6.195 11.004 1.00 0.00 H new ATOM 0 HG SER A 42 3.374 -8.037 11.358 1.00 0.00 H new ATOM 673 N LEU A 43 3.101 -3.051 8.636 1.00 0.00 N ATOM 674 CA LEU A 43 2.708 -1.639 8.639 1.00 0.00 C ATOM 675 C LEU A 43 1.338 -1.461 7.955 1.00 0.00 C ATOM 676 O LEU A 43 1.121 -1.940 6.839 1.00 0.00 O ATOM 677 CB LEU A 43 3.815 -0.814 7.955 1.00 0.00 C ATOM 678 CG LEU A 43 5.142 -0.756 8.734 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.244 -0.229 7.816 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.059 0.145 9.966 1.00 0.00 C ATOM 0 H LEU A 43 3.769 -3.276 7.899 1.00 0.00 H new ATOM 0 HA LEU A 43 2.595 -1.280 9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.006 -1.234 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.452 0.203 7.804 1.00 0.00 H new ATOM 0 HG LEU A 43 5.362 -1.768 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.185 -0.187 8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.353 -0.894 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.981 0.770 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.021 0.150 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.806 1.160 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.290 -0.231 10.641 1.00 0.00 H new ATOM 692 N ALA A 44 0.409 -0.786 8.637 1.00 0.00 N ATOM 693 CA ALA A 44 -0.960 -0.548 8.172 1.00 0.00 C ATOM 694 C ALA A 44 -1.075 0.637 7.188 1.00 0.00 C ATOM 695 O ALA A 44 -0.180 1.480 7.097 1.00 0.00 O ATOM 696 CB ALA A 44 -1.847 -0.341 9.408 1.00 0.00 C ATOM 0 H ALA A 44 0.594 -0.379 9.554 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.291 -1.416 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.875 -0.161 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.811 -1.232 10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.486 0.517 9.975 1.00 0.00 H new ATOM 702 N ASN A 45 -2.222 0.726 6.501 1.00 0.00 N ATOM 703 CA ASN A 45 -2.641 1.855 5.654 1.00 0.00 C ATOM 704 C ASN A 45 -1.606 2.240 4.574 1.00 0.00 C ATOM 705 O ASN A 45 -1.079 3.356 4.560 1.00 0.00 O ATOM 706 CB ASN A 45 -3.076 3.043 6.538 1.00 0.00 C ATOM 707 CG ASN A 45 -4.159 2.686 7.542 1.00 0.00 C ATOM 708 OD1 ASN A 45 -5.192 2.121 7.209 1.00 0.00 O ATOM 709 ND2 ASN A 45 -3.960 2.984 8.807 1.00 0.00 N ATOM 0 H ASN A 45 -2.916 -0.021 6.520 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.507 1.531 5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.207 3.425 7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.436 3.849 5.898 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.665 2.744 9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.101 3.455 9.091 1.00 0.00 H new ATOM 716 N HIS A 46 -1.322 1.325 3.638 1.00 0.00 N ATOM 717 CA HIS A 46 -0.321 1.517 2.577 1.00 0.00 C ATOM 718 C HIS A 46 -0.624 2.712 1.651 1.00 0.00 C ATOM 719 O HIS A 46 0.287 3.247 1.024 1.00 0.00 O ATOM 720 CB HIS A 46 -0.200 0.220 1.767 1.00 0.00 C ATOM 721 CG HIS A 46 -1.358 -0.025 0.840 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.565 -0.647 1.175 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.426 0.422 -0.443 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.323 -0.576 0.068 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.667 0.061 -0.917 1.00 0.00 N ATOM 0 H HIS A 46 -1.787 0.418 3.595 1.00 0.00 H new ATOM 0 HA HIS A 46 0.626 1.756 3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.720 0.251 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.113 -0.621 2.455 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.658 0.955 -0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.322 -0.976 -0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.026 0.245 -1.854 1.00 0.00 H new ATOM 733 N GLU A 47 -1.878 3.177 1.610 1.00 0.00 N ATOM 734 CA GLU A 47 -2.306 4.407 0.923 1.00 0.00 C ATOM 735 C GLU A 47 -1.562 5.666 1.412 1.00 0.00 C ATOM 736 O GLU A 47 -1.433 6.643 0.670 1.00 0.00 O ATOM 737 CB GLU A 47 -3.812 4.628 1.165 1.00 0.00 C ATOM 738 CG GLU A 47 -4.742 3.482 0.734 1.00 0.00 C ATOM 739 CD GLU A 47 -4.743 3.181 -0.782 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.233 2.094 -1.173 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.301 4.027 -1.597 1.00 0.00 O ATOM 0 H GLU A 47 -2.650 2.693 2.068 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.077 4.267 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.965 4.813 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.115 5.533 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.453 2.578 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.759 3.723 1.043 1.00 0.00 H new ATOM 748 N TYR A 48 -1.073 5.658 2.658 1.00 0.00 N ATOM 749 CA TYR A 48 -0.296 6.757 3.241 1.00 0.00 C ATOM 750 C TYR A 48 1.184 6.724 2.828 1.00 0.00 C ATOM 751 O TYR A 48 1.886 7.724 2.977 1.00 0.00 O ATOM 752 CB TYR A 48 -0.356 6.689 4.778 1.00 0.00 C ATOM 753 CG TYR A 48 -1.707 6.687 5.478 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.928 6.905 4.802 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.716 6.461 6.867 1.00 0.00 C ATOM 756 CE1 TYR A 48 -4.147 6.849 5.505 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.927 6.434 7.580 1.00 0.00 C ATOM 758 CZ TYR A 48 -4.150 6.617 6.900 1.00 0.00 C ATOM 759 OH TYR A 48 -5.323 6.566 7.591 1.00 0.00 O ATOM 0 H TYR A 48 -1.208 4.876 3.299 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.742 7.678 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.172 5.786 5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.210 7.536 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.927 7.115 3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.784 6.307 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.080 6.983 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.922 6.273 8.648 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.138 6.397 8.538 1.00 0.00 H new ATOM 769 N PHE A 49 1.682 5.574 2.370 1.00 0.00 N ATOM 770 CA PHE A 49 3.103 5.319 2.142 1.00 0.00 C ATOM 771 C PHE A 49 3.571 5.632 0.713 1.00 0.00 C ATOM 772 O PHE A 49 2.800 5.651 -0.249 1.00 0.00 O ATOM 773 CB PHE A 49 3.444 3.882 2.564 1.00 0.00 C ATOM 774 CG PHE A 49 3.625 3.726 4.063 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.518 3.509 4.904 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.913 3.828 4.623 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.697 3.395 6.294 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.092 3.709 6.012 1.00 0.00 C ATOM 779 CZ PHE A 49 3.984 3.491 6.849 1.00 0.00 C ATOM 0 H PHE A 49 1.092 4.774 2.142 1.00 0.00 H new ATOM 0 HA PHE A 49 3.661 6.016 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.651 3.214 2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.358 3.569 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.528 3.430 4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.766 3.998 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.844 3.233 6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.082 3.785 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.122 3.398 7.916 1.00 0.00 H new ATOM 789 N ALA A 50 4.879 5.855 0.606 1.00 0.00 N ATOM 790 CA ALA A 50 5.652 6.082 -0.603 1.00 0.00 C ATOM 791 C ALA A 50 7.060 5.482 -0.440 1.00 0.00 C ATOM 792 O ALA A 50 7.570 5.331 0.675 1.00 0.00 O ATOM 793 CB ALA A 50 5.713 7.594 -0.871 1.00 0.00 C ATOM 0 H ALA A 50 5.471 5.883 1.436 1.00 0.00 H new ATOM 0 HA ALA A 50 5.180 5.593 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.291 7.780 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.702 7.982 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.189 8.094 -0.028 1.00 0.00 H new ATOM 799 N LEU A 51 7.691 5.131 -1.558 1.00 0.00 N ATOM 800 CA LEU A 51 9.111 4.799 -1.600 1.00 0.00 C ATOM 801 C LEU A 51 9.916 6.077 -1.864 1.00 0.00 C ATOM 802 O LEU A 51 9.433 7.009 -2.509 1.00 0.00 O ATOM 803 CB LEU A 51 9.349 3.712 -2.663 1.00 0.00 C ATOM 804 CG LEU A 51 8.977 2.301 -2.171 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.925 1.327 -3.346 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.986 1.765 -1.151 1.00 0.00 C ATOM 0 H LEU A 51 7.228 5.069 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 51 9.447 4.393 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.765 3.947 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.398 3.723 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 51 8.000 2.382 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.661 0.333 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.176 1.662 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.901 1.289 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.685 0.768 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.974 1.716 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.018 2.429 -0.287 1.00 0.00 H new ATOM 818 N GLN A 52 11.151 6.119 -1.374 1.00 0.00 N ATOM 819 CA GLN A 52 12.056 7.260 -1.499 1.00 0.00 C ATOM 820 C GLN A 52 13.493 6.772 -1.728 1.00 0.00 C ATOM 821 O GLN A 52 13.879 5.715 -1.232 1.00 0.00 O ATOM 822 CB GLN A 52 11.901 8.136 -0.243 1.00 0.00 C ATOM 823 CG GLN A 52 12.565 9.517 -0.341 1.00 0.00 C ATOM 824 CD GLN A 52 12.278 10.394 0.876 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.140 9.943 2.004 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.244 11.694 0.724 1.00 0.00 N ATOM 0 H GLN A 52 11.563 5.338 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 52 11.806 7.871 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.839 8.272 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.323 7.604 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.642 9.391 -0.448 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.212 10.023 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.356 12.102 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.106 12.299 1.534 1.00 0.00 H new ATOM 835 N HIS A 53 14.288 7.519 -2.490 1.00 0.00 N ATOM 836 CA HIS A 53 15.699 7.189 -2.751 1.00 0.00 C ATOM 837 C HIS A 53 16.568 7.250 -1.486 1.00 0.00 C ATOM 838 O HIS A 53 16.392 8.133 -0.643 1.00 0.00 O ATOM 839 CB HIS A 53 16.269 8.099 -3.848 1.00 0.00 C ATOM 840 CG HIS A 53 16.116 7.540 -5.239 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.945 6.566 -5.802 1.00 0.00 N ATOM 842 CD2 HIS A 53 15.165 7.893 -6.148 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.477 6.361 -7.046 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.411 7.146 -7.281 1.00 0.00 N ATOM 0 H HIS A 53 13.977 8.375 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 53 15.725 6.155 -3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.772 9.068 -3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.327 8.273 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.374 8.615 -6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.898 5.664 -7.756 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.876 7.183 -8.149 1.00 0.00 H new ATOM 852 N ALA A 54 17.535 6.329 -1.389 1.00 0.00 N ATOM 853 CA ALA A 54 18.541 6.273 -0.322 1.00 0.00 C ATOM 854 C ALA A 54 19.980 6.056 -0.848 1.00 0.00 C ATOM 855 O ALA A 54 20.938 6.497 -0.211 1.00 0.00 O ATOM 856 CB ALA A 54 18.113 5.192 0.678 1.00 0.00 C ATOM 0 H ALA A 54 17.642 5.579 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 54 18.583 7.242 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.846 5.130 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.138 5.446 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.051 4.230 0.169 1.00 0.00 H new ATOM 862 N ASP A 55 20.154 5.447 -2.030 1.00 0.00 N ATOM 863 CA ASP A 55 21.441 5.383 -2.755 1.00 0.00 C ATOM 864 C ASP A 55 21.843 6.737 -3.395 1.00 0.00 C ATOM 865 O ASP A 55 22.959 6.910 -3.890 1.00 0.00 O ATOM 866 CB ASP A 55 21.344 4.298 -3.840 1.00 0.00 C ATOM 867 CG ASP A 55 22.700 3.898 -4.454 1.00 0.00 C ATOM 868 OD1 ASP A 55 23.717 3.829 -3.724 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.732 3.585 -5.667 1.00 0.00 O ATOM 0 H ASP A 55 19.394 4.976 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 55 22.219 5.140 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.876 3.412 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.688 4.652 -4.635 1.00 0.00 H new ATOM 874 N SER A 56 20.921 7.703 -3.390 1.00 0.00 N ATOM 875 CA SER A 56 21.056 9.068 -3.913 1.00 0.00 C ATOM 876 C SER A 56 20.272 10.054 -3.021 1.00 0.00 C ATOM 877 O SER A 56 19.792 9.674 -1.947 1.00 0.00 O ATOM 878 CB SER A 56 20.582 9.081 -5.376 1.00 0.00 C ATOM 879 OG SER A 56 20.886 10.312 -6.014 1.00 0.00 O ATOM 0 H SER A 56 19.995 7.542 -2.993 1.00 0.00 H new ATOM 0 HA SER A 56 22.097 9.392 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.055 8.263 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.506 8.908 -5.412 1.00 0.00 H new ATOM 0 HG SER A 56 20.573 10.285 -6.942 1.00 0.00 H new ATOM 885 N SER A 57 20.135 11.315 -3.439 1.00 0.00 N ATOM 886 CA SER A 57 19.309 12.330 -2.764 1.00 0.00 C ATOM 887 C SER A 57 17.855 11.864 -2.576 1.00 0.00 C ATOM 888 O SER A 57 17.348 11.044 -3.341 1.00 0.00 O ATOM 889 CB SER A 57 19.338 13.651 -3.542 1.00 0.00 C ATOM 890 OG SER A 57 20.670 14.138 -3.646 1.00 0.00 O ATOM 0 H SER A 57 20.603 11.670 -4.273 1.00 0.00 H new ATOM 0 HA SER A 57 19.738 12.483 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.920 13.503 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.713 14.389 -3.040 1.00 0.00 H new ATOM 0 HG SER A 57 20.672 14.981 -4.147 1.00 0.00 H new ATOM 896 N ASN A 58 17.181 12.391 -1.549 1.00 0.00 N ATOM 897 CA ASN A 58 15.874 11.953 -1.029 1.00 0.00 C ATOM 898 C ASN A 58 14.650 12.261 -1.938 1.00 0.00 C ATOM 899 O ASN A 58 13.628 12.772 -1.474 1.00 0.00 O ATOM 900 CB ASN A 58 15.735 12.504 0.407 1.00 0.00 C ATOM 901 CG ASN A 58 16.765 11.934 1.371 1.00 0.00 C ATOM 902 OD1 ASN A 58 16.732 10.766 1.733 1.00 0.00 O ATOM 903 ND2 ASN A 58 17.699 12.734 1.835 1.00 0.00 N ATOM 0 H ASN A 58 17.552 13.183 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 58 15.861 10.863 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.831 13.590 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.735 12.280 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.392 12.380 2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.730 13.709 1.536 1.00 0.00 H new ATOM 910 N PHE A 59 14.714 11.937 -3.232 1.00 0.00 N ATOM 911 CA PHE A 59 13.574 12.013 -4.158 1.00 0.00 C ATOM 912 C PHE A 59 12.534 10.919 -3.863 1.00 0.00 C ATOM 913 O PHE A 59 12.891 9.746 -3.721 1.00 0.00 O ATOM 914 CB PHE A 59 14.057 11.882 -5.611 1.00 0.00 C ATOM 915 CG PHE A 59 15.252 12.734 -5.998 1.00 0.00 C ATOM 916 CD1 PHE A 59 15.162 14.139 -5.977 1.00 0.00 C ATOM 917 CD2 PHE A 59 16.452 12.116 -6.401 1.00 0.00 C ATOM 918 CE1 PHE A 59 16.267 14.922 -6.355 1.00 0.00 C ATOM 919 CE2 PHE A 59 17.555 12.899 -6.786 1.00 0.00 C ATOM 920 CZ PHE A 59 17.462 14.303 -6.763 1.00 0.00 C ATOM 0 H PHE A 59 15.572 11.609 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 59 13.101 12.985 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 59 14.306 10.837 -5.797 1.00 0.00 H new ATOM 0 HB3 PHE A 59 13.228 12.134 -6.272 1.00 0.00 H new ATOM 0 HD1 PHE A 59 14.243 14.616 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 59 16.525 11.039 -6.414 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.198 16.000 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 59 18.473 12.423 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 59 18.308 14.905 -7.059 1.00 0.00 H new ATOM 930 N TYR A 60 11.248 11.275 -3.803 1.00 0.00 N ATOM 931 CA TYR A 60 10.145 10.306 -3.711 1.00 0.00 C ATOM 932 C TYR A 60 9.900 9.609 -5.059 1.00 0.00 C ATOM 933 O TYR A 60 9.958 10.244 -6.116 1.00 0.00 O ATOM 934 CB TYR A 60 8.863 10.993 -3.220 1.00 0.00 C ATOM 935 CG TYR A 60 8.950 11.534 -1.805 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.658 10.690 -0.714 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.318 12.875 -1.578 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.736 11.187 0.601 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.410 13.370 -0.262 1.00 0.00 C ATOM 940 CZ TYR A 60 9.126 12.524 0.832 1.00 0.00 C ATOM 941 OH TYR A 60 9.222 12.991 2.108 1.00 0.00 O ATOM 0 H TYR A 60 10.938 12.247 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 60 10.431 9.543 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.622 11.813 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.039 10.282 -3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.375 9.662 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.530 13.525 -2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.497 10.544 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.698 14.397 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 60 9.503 13.930 2.093 1.00 0.00 H new ATOM 951 N ILE A 61 9.601 8.308 -5.027 1.00 0.00 N ATOM 952 CA ILE A 61 9.271 7.505 -6.209 1.00 0.00 C ATOM 953 C ILE A 61 7.806 7.728 -6.614 1.00 0.00 C ATOM 954 O ILE A 61 6.904 7.662 -5.774 1.00 0.00 O ATOM 955 CB ILE A 61 9.573 6.010 -5.959 1.00 0.00 C ATOM 956 CG1 ILE A 61 11.022 5.741 -5.483 1.00 0.00 C ATOM 957 CG2 ILE A 61 9.265 5.171 -7.212 1.00 0.00 C ATOM 958 CD1 ILE A 61 12.134 6.330 -6.361 1.00 0.00 C ATOM 0 H ILE A 61 9.581 7.771 -4.160 1.00 0.00 H new ATOM 0 HA ILE A 61 9.899 7.829 -7.039 1.00 0.00 H new ATOM 0 HB ILE A 61 8.915 5.707 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.133 6.139 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.169 4.663 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.486 4.123 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.212 5.277 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.880 5.518 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.105 6.081 -5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.062 5.915 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.025 7.414 -6.407 1.00 0.00 H new ATOM 970 N THR A 62 7.565 7.960 -7.904 1.00 0.00 N ATOM 971 CA THR A 62 6.243 8.222 -8.499 1.00 0.00 C ATOM 972 C THR A 62 6.102 7.523 -9.852 1.00 0.00 C ATOM 973 O THR A 62 7.091 7.161 -10.494 1.00 0.00 O ATOM 974 CB THR A 62 5.980 9.732 -8.687 1.00 0.00 C ATOM 975 OG1 THR A 62 6.743 10.239 -9.761 1.00 0.00 O ATOM 976 CG2 THR A 62 6.283 10.584 -7.454 1.00 0.00 C ATOM 0 H THR A 62 8.313 7.972 -8.597 1.00 0.00 H new ATOM 0 HA THR A 62 5.507 7.824 -7.800 1.00 0.00 H new ATOM 0 HB THR A 62 4.910 9.804 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.563 11.196 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.071 11.630 -7.674 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.661 10.254 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.334 10.476 -7.186 1.00 0.00 H new ATOM 984 N GLU A 63 4.868 7.388 -10.350 1.00 0.00 N ATOM 985 CA GLU A 63 4.594 6.848 -11.695 1.00 0.00 C ATOM 986 C GLU A 63 5.218 7.695 -12.831 1.00 0.00 C ATOM 987 O GLU A 63 5.301 7.233 -13.972 1.00 0.00 O ATOM 988 CB GLU A 63 3.072 6.692 -11.896 1.00 0.00 C ATOM 989 CG GLU A 63 2.367 5.749 -10.898 1.00 0.00 C ATOM 990 CD GLU A 63 2.801 4.268 -10.978 1.00 0.00 C ATOM 991 OE1 GLU A 63 2.444 3.483 -10.068 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.521 3.879 -11.925 1.00 0.00 O ATOM 0 H GLU A 63 4.027 7.649 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 63 5.073 5.870 -11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.610 7.677 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.892 6.325 -12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.552 6.112 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.291 5.806 -11.066 1.00 0.00 H new ATOM 999 N LYS A 64 5.690 8.915 -12.525 1.00 0.00 N ATOM 1000 CA LYS A 64 6.380 9.836 -13.445 1.00 0.00 C ATOM 1001 C LYS A 64 7.918 9.746 -13.404 1.00 0.00 C ATOM 1002 O LYS A 64 8.554 10.264 -14.324 1.00 0.00 O ATOM 1003 CB LYS A 64 5.920 11.280 -13.161 1.00 0.00 C ATOM 1004 CG LYS A 64 4.411 11.485 -13.397 1.00 0.00 C ATOM 1005 CD LYS A 64 3.939 12.912 -13.079 1.00 0.00 C ATOM 1006 CE LYS A 64 4.548 13.958 -14.025 1.00 0.00 C ATOM 1007 NZ LYS A 64 4.030 15.321 -13.737 1.00 0.00 N ATOM 0 H LYS A 64 5.597 9.304 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 64 6.101 9.531 -14.453 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.159 11.536 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.479 11.966 -13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.177 11.255 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.854 10.779 -12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.852 12.955 -13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.205 13.158 -12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.633 13.952 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.321 13.692 -15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.462 16.002 -14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.997 15.332 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.269 15.584 -12.759 1.00 0.00 H new ATOM 1021 N ASN A 65 8.524 9.120 -12.384 1.00 0.00 N ATOM 1022 CA ASN A 65 9.992 9.053 -12.220 1.00 0.00 C ATOM 1023 C ASN A 65 10.576 7.658 -11.891 1.00 0.00 C ATOM 1024 O ASN A 65 11.796 7.484 -11.921 1.00 0.00 O ATOM 1025 CB ASN A 65 10.452 10.142 -11.225 1.00 0.00 C ATOM 1026 CG ASN A 65 10.149 9.860 -9.758 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.896 8.742 -9.336 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.198 10.867 -8.919 1.00 0.00 N ATOM 0 H ASN A 65 8.011 8.642 -11.643 1.00 0.00 H new ATOM 0 HA ASN A 65 10.412 9.253 -13.206 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.528 10.280 -11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.980 11.085 -11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.026 10.712 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.408 11.805 -9.260 1.00 0.00 H new ATOM 1035 N ARG A 66 9.737 6.647 -11.621 1.00 0.00 N ATOM 1036 CA ARG A 66 10.136 5.258 -11.293 1.00 0.00 C ATOM 1037 C ARG A 66 11.049 4.577 -12.321 1.00 0.00 C ATOM 1038 O ARG A 66 11.784 3.654 -11.975 1.00 0.00 O ATOM 1039 CB ARG A 66 8.866 4.421 -11.072 1.00 0.00 C ATOM 1040 CG ARG A 66 7.953 4.369 -12.317 1.00 0.00 C ATOM 1041 CD ARG A 66 6.668 3.588 -12.054 1.00 0.00 C ATOM 1042 NE ARG A 66 6.953 2.186 -11.740 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.067 1.262 -11.450 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.791 1.478 -11.465 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.462 0.069 -11.131 1.00 0.00 N ATOM 0 H ARG A 66 8.725 6.772 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 66 10.741 5.320 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.150 3.406 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.305 4.836 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.703 5.384 -12.626 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.494 3.909 -13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.125 4.045 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.021 3.643 -12.929 1.00 0.00 H new ATOM 0 HE ARG A 66 7.932 1.901 -11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.433 2.401 -11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.144 0.725 -11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.458 -0.149 -11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.777 -0.652 -10.905 1.00 0.00 H new ATOM 1059 N ASN A 67 11.034 5.044 -13.568 1.00 0.00 N ATOM 1060 CA ASN A 67 11.915 4.605 -14.653 1.00 0.00 C ATOM 1061 C ASN A 67 13.407 4.933 -14.409 1.00 0.00 C ATOM 1062 O ASN A 67 14.274 4.340 -15.051 1.00 0.00 O ATOM 1063 CB ASN A 67 11.418 5.243 -15.965 1.00 0.00 C ATOM 1064 CG ASN A 67 11.452 6.766 -15.941 1.00 0.00 C ATOM 1065 OD1 ASN A 67 10.715 7.413 -15.209 1.00 0.00 O ATOM 1066 ND2 ASN A 67 12.309 7.385 -16.719 1.00 0.00 N ATOM 0 H ASN A 67 10.381 5.769 -13.864 1.00 0.00 H new ATOM 0 HA ASN A 67 11.867 3.517 -14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.032 4.885 -16.791 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.398 4.912 -16.159 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.360 8.404 -16.713 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.924 6.847 -17.330 1.00 0.00 H new ATOM 1073 N GLU A 68 13.723 5.861 -13.498 1.00 0.00 N ATOM 1074 CA GLU A 68 15.102 6.218 -13.128 1.00 0.00 C ATOM 1075 C GLU A 68 15.760 5.215 -12.155 1.00 0.00 C ATOM 1076 O GLU A 68 16.987 5.236 -12.001 1.00 0.00 O ATOM 1077 CB GLU A 68 15.137 7.640 -12.539 1.00 0.00 C ATOM 1078 CG GLU A 68 14.649 8.701 -13.540 1.00 0.00 C ATOM 1079 CD GLU A 68 14.906 10.147 -13.066 1.00 0.00 C ATOM 1080 OE1 GLU A 68 15.110 11.032 -13.932 1.00 0.00 O ATOM 1081 OE2 GLU A 68 14.894 10.423 -11.841 1.00 0.00 O ATOM 0 H GLU A 68 13.019 6.394 -12.988 1.00 0.00 H new ATOM 0 HA GLU A 68 15.690 6.180 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.515 7.675 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.155 7.877 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.147 8.545 -14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.581 8.566 -13.711 1.00 0.00 H new ATOM 1088 N ILE A 69 14.979 4.329 -11.520 1.00 0.00 N ATOM 1089 CA ILE A 69 15.467 3.243 -10.655 1.00 0.00 C ATOM 1090 C ILE A 69 16.268 2.227 -11.484 1.00 0.00 C ATOM 1091 O ILE A 69 15.892 1.898 -12.614 1.00 0.00 O ATOM 1092 CB ILE A 69 14.292 2.549 -9.920 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.504 3.550 -9.041 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.789 1.373 -9.055 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.203 2.972 -8.471 1.00 0.00 C ATOM 0 H ILE A 69 13.962 4.348 -11.596 1.00 0.00 H new ATOM 0 HA ILE A 69 16.125 3.672 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 69 13.623 2.160 -10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.139 3.876 -8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.270 4.435 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.941 0.907 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 69 15.283 0.638 -9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.494 1.742 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.703 3.728 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.549 2.672 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.431 2.104 -7.852 1.00 0.00 H new ATOM 1107 N LYS A 70 17.355 1.699 -10.906 1.00 0.00 N ATOM 1108 CA LYS A 70 18.261 0.719 -11.534 1.00 0.00 C ATOM 1109 C LYS A 70 18.464 -0.513 -10.649 1.00 0.00 C ATOM 1110 O LYS A 70 18.221 -0.463 -9.443 1.00 0.00 O ATOM 1111 CB LYS A 70 19.598 1.404 -11.887 1.00 0.00 C ATOM 1112 CG LYS A 70 19.403 2.615 -12.815 1.00 0.00 C ATOM 1113 CD LYS A 70 20.707 3.382 -13.069 1.00 0.00 C ATOM 1114 CE LYS A 70 20.440 4.687 -13.835 1.00 0.00 C ATOM 1115 NZ LYS A 70 19.702 5.689 -13.014 1.00 0.00 N ATOM 0 H LYS A 70 17.640 1.948 -9.959 1.00 0.00 H new ATOM 0 HA LYS A 70 17.804 0.359 -12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.092 1.727 -10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.258 0.682 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.994 2.276 -13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.669 3.290 -12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.191 3.607 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.395 2.757 -13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.389 5.115 -14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.866 4.466 -14.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.680 6.600 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.729 5.358 -12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.182 5.809 -12.099 1.00 0.00 H new ATOM 1129 N ASN A 71 18.922 -1.623 -11.228 1.00 0.00 N ATOM 1130 CA ASN A 71 19.189 -2.853 -10.478 1.00 0.00 C ATOM 1131 C ASN A 71 20.254 -2.623 -9.382 1.00 0.00 C ATOM 1132 O ASN A 71 21.360 -2.151 -9.658 1.00 0.00 O ATOM 1133 CB ASN A 71 19.558 -3.999 -11.443 1.00 0.00 C ATOM 1134 CG ASN A 71 20.777 -3.716 -12.316 1.00 0.00 C ATOM 1135 OD1 ASN A 71 20.774 -2.829 -13.160 1.00 0.00 O ATOM 1136 ND2 ASN A 71 21.844 -4.467 -12.165 1.00 0.00 N ATOM 0 H ASN A 71 19.118 -1.696 -12.226 1.00 0.00 H new ATOM 0 HA ASN A 71 18.280 -3.152 -9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 71 19.744 -4.902 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.704 -4.205 -12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 71 22.665 -4.310 -12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.852 -5.207 -11.463 1.00 0.00 H new ATOM 1143 N GLY A 72 19.903 -2.947 -8.135 1.00 0.00 N ATOM 1144 CA GLY A 72 20.717 -2.707 -6.939 1.00 0.00 C ATOM 1145 C GLY A 72 20.499 -1.343 -6.262 1.00 0.00 C ATOM 1146 O GLY A 72 21.255 -1.002 -5.351 1.00 0.00 O ATOM 0 H GLY A 72 19.014 -3.399 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.508 -3.493 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.769 -2.796 -7.211 1.00 0.00 H new ATOM 1150 N THR A 73 19.490 -0.557 -6.666 1.00 0.00 N ATOM 1151 CA THR A 73 19.172 0.738 -6.023 1.00 0.00 C ATOM 1152 C THR A 73 18.711 0.537 -4.577 1.00 0.00 C ATOM 1153 O THR A 73 17.792 -0.245 -4.313 1.00 0.00 O ATOM 1154 CB THR A 73 18.095 1.525 -6.793 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.549 1.831 -8.089 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.729 2.865 -6.155 1.00 0.00 C ATOM 0 H THR A 73 18.872 -0.794 -7.442 1.00 0.00 H new ATOM 0 HA THR A 73 20.094 1.319 -6.035 1.00 0.00 H new ATOM 0 HB THR A 73 17.221 0.874 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.694 1.001 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.965 3.358 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.346 2.696 -5.149 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.615 3.498 -6.104 1.00 0.00 H new ATOM 1164 N ILE A 74 19.314 1.267 -3.636 1.00 0.00 N ATOM 1165 CA ILE A 74 18.836 1.348 -2.252 1.00 0.00 C ATOM 1166 C ILE A 74 17.726 2.405 -2.170 1.00 0.00 C ATOM 1167 O ILE A 74 17.927 3.572 -2.521 1.00 0.00 O ATOM 1168 CB ILE A 74 19.971 1.617 -1.235 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.198 0.702 -1.472 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.434 1.425 0.198 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.414 1.071 -0.616 1.00 0.00 C ATOM 0 H ILE A 74 20.152 1.822 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 74 18.431 0.376 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 74 20.306 2.645 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.917 -0.330 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.478 0.749 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.233 1.614 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.615 2.122 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.074 0.403 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.234 0.388 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.722 2.092 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.152 0.996 0.439 1.00 0.00 H new ATOM 1183 N LEU A 75 16.556 1.988 -1.693 1.00 0.00 N ATOM 1184 CA LEU A 75 15.384 2.814 -1.408 1.00 0.00 C ATOM 1185 C LEU A 75 15.066 2.782 0.097 1.00 0.00 C ATOM 1186 O LEU A 75 15.686 2.048 0.865 1.00 0.00 O ATOM 1187 CB LEU A 75 14.186 2.313 -2.242 1.00 0.00 C ATOM 1188 CG LEU A 75 14.364 2.321 -3.773 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.098 1.768 -4.429 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.600 3.728 -4.322 1.00 0.00 C ATOM 0 H LEU A 75 16.390 1.004 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 75 15.590 3.848 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.955 1.294 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.319 2.926 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 75 15.237 1.709 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.218 1.771 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.926 0.748 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.246 2.390 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.719 3.681 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.747 4.361 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.502 4.146 -3.875 1.00 0.00 H new ATOM 1202 N ARG A 76 14.067 3.553 0.521 1.00 0.00 N ATOM 1203 CA ARG A 76 13.554 3.635 1.891 1.00 0.00 C ATOM 1204 C ARG A 76 12.037 3.832 1.875 1.00 0.00 C ATOM 1205 O ARG A 76 11.527 4.634 1.092 1.00 0.00 O ATOM 1206 CB ARG A 76 14.307 4.775 2.596 1.00 0.00 C ATOM 1207 CG ARG A 76 13.886 4.972 4.057 1.00 0.00 C ATOM 1208 CD ARG A 76 14.814 5.932 4.828 1.00 0.00 C ATOM 1209 NE ARG A 76 15.114 7.189 4.105 1.00 0.00 N ATOM 1210 CZ ARG A 76 14.263 8.117 3.705 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.989 8.071 3.962 1.00 0.00 N ATOM 1212 NH2 ARG A 76 14.656 9.138 3.008 1.00 0.00 N ATOM 0 H ARG A 76 13.565 4.172 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 76 13.726 2.711 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.377 4.571 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.140 5.703 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.867 5.359 4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.875 4.005 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.353 6.176 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.750 5.418 5.047 1.00 0.00 H new ATOM 0 HE ARG A 76 16.096 7.359 3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.604 7.292 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.375 8.814 3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.640 9.236 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.981 9.842 2.710 1.00 0.00 H new ATOM 1226 N LEU A 77 11.318 3.105 2.728 1.00 0.00 N ATOM 1227 CA LEU A 77 9.877 3.284 2.942 1.00 0.00 C ATOM 1228 C LEU A 77 9.610 4.510 3.833 1.00 0.00 C ATOM 1229 O LEU A 77 10.344 4.762 4.792 1.00 0.00 O ATOM 1230 CB LEU A 77 9.308 1.979 3.527 1.00 0.00 C ATOM 1231 CG LEU A 77 7.805 1.990 3.835 1.00 0.00 C ATOM 1232 CD1 LEU A 77 6.984 2.000 2.541 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.415 0.750 4.629 1.00 0.00 C ATOM 0 H LEU A 77 11.723 2.364 3.300 1.00 0.00 H new ATOM 0 HA LEU A 77 9.368 3.485 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.511 1.169 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.847 1.748 4.446 1.00 0.00 H new ATOM 0 HG LEU A 77 7.597 2.890 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.922 2.008 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.230 2.889 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.216 1.110 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.346 0.774 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.651 -0.142 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.969 0.730 5.568 1.00 0.00 H new ATOM 1245 N THR A 78 8.569 5.284 3.524 1.00 0.00 N ATOM 1246 CA THR A 78 8.230 6.533 4.230 1.00 0.00 C ATOM 1247 C THR A 78 6.759 6.918 4.014 1.00 0.00 C ATOM 1248 O THR A 78 6.168 6.553 2.998 1.00 0.00 O ATOM 1249 CB THR A 78 9.192 7.648 3.771 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.920 8.863 4.434 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.168 7.919 2.263 1.00 0.00 C ATOM 0 H THR A 78 7.924 5.063 2.765 1.00 0.00 H new ATOM 0 HA THR A 78 8.352 6.385 5.303 1.00 0.00 H new ATOM 0 HB THR A 78 10.182 7.273 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.545 9.551 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.872 8.716 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.450 7.013 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.164 8.221 1.963 1.00 0.00 H new ATOM 1259 N THR A 79 6.125 7.636 4.947 1.00 0.00 N ATOM 1260 CA THR A 79 4.794 8.232 4.710 1.00 0.00 C ATOM 1261 C THR A 79 4.907 9.472 3.811 1.00 0.00 C ATOM 1262 O THR A 79 5.772 10.329 4.003 1.00 0.00 O ATOM 1263 CB THR A 79 4.041 8.558 6.009 1.00 0.00 C ATOM 1264 OG1 THR A 79 4.856 9.255 6.933 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.509 7.294 6.690 1.00 0.00 C ATOM 0 H THR A 79 6.507 7.822 5.874 1.00 0.00 H new ATOM 0 HA THR A 79 4.200 7.477 4.195 1.00 0.00 H new ATOM 0 HB THR A 79 3.205 9.193 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.341 9.445 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.983 7.567 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.823 6.779 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.342 6.634 6.934 1.00 0.00 H new ATOM 1273 N SER A 80 4.029 9.565 2.811 1.00 0.00 N ATOM 1274 CA SER A 80 4.052 10.583 1.752 1.00 0.00 C ATOM 1275 C SER A 80 3.819 12.019 2.269 1.00 0.00 C ATOM 1276 O SER A 80 3.046 12.206 3.215 1.00 0.00 O ATOM 1277 CB SER A 80 2.967 10.235 0.723 1.00 0.00 C ATOM 1278 OG SER A 80 2.876 11.218 -0.295 1.00 0.00 O ATOM 0 H SER A 80 3.253 8.911 2.710 1.00 0.00 H new ATOM 0 HA SER A 80 5.049 10.571 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.188 9.266 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.005 10.142 1.226 1.00 0.00 H new ATOM 0 HG SER A 80 2.177 10.964 -0.933 1.00 0.00 H new ATOM 1284 N PRO A 81 4.388 13.063 1.632 1.00 0.00 N ATOM 1285 CA PRO A 81 4.017 14.458 1.895 1.00 0.00 C ATOM 1286 C PRO A 81 2.565 14.799 1.499 1.00 0.00 C ATOM 1287 O PRO A 81 2.046 15.840 1.906 1.00 0.00 O ATOM 1288 CB PRO A 81 5.000 15.303 1.070 1.00 0.00 C ATOM 1289 CG PRO A 81 6.191 14.377 0.855 1.00 0.00 C ATOM 1290 CD PRO A 81 5.526 13.011 0.728 1.00 0.00 C ATOM 0 HA PRO A 81 4.070 14.656 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.561 15.615 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.290 16.210 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.753 14.640 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.889 14.413 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.208 12.820 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.213 12.210 1.003 1.00 0.00 H new ATOM 1298 N ALA A 82 1.912 13.943 0.699 1.00 0.00 N ATOM 1299 CA ALA A 82 0.625 14.185 0.043 1.00 0.00 C ATOM 1300 C ALA A 82 -0.487 13.189 0.448 1.00 0.00 C ATOM 1301 O ALA A 82 -1.388 12.921 -0.347 1.00 0.00 O ATOM 1302 CB ALA A 82 0.880 14.228 -1.473 1.00 0.00 C ATOM 0 H ALA A 82 2.288 13.020 0.484 1.00 0.00 H new ATOM 0 HA ALA A 82 0.226 15.142 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.060 14.407 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.581 15.031 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.300 13.276 -1.798 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.455 12.643 1.673 1.00 0.00 N ATOM 1309 CA GLN A 83 -1.397 11.608 2.154 1.00 0.00 C ATOM 1310 C GLN A 83 -2.881 11.955 1.917 1.00 0.00 C ATOM 1311 O GLN A 83 -3.647 11.107 1.454 1.00 0.00 O ATOM 1312 CB GLN A 83 -1.177 11.362 3.658 1.00 0.00 C ATOM 1313 CG GLN A 83 0.141 10.640 3.966 1.00 0.00 C ATOM 1314 CD GLN A 83 0.590 10.854 5.411 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -0.076 10.475 6.364 1.00 0.00 O ATOM 1316 NE2 GLN A 83 1.732 11.469 5.631 1.00 0.00 N ATOM 0 H GLN A 83 0.237 12.910 2.373 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.183 10.712 1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.191 12.318 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.007 10.772 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.022 9.573 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.917 10.998 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.298 11.790 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.052 11.624 6.587 1.00 0.00 H new ATOM 1325 N ASN A 84 -3.274 13.202 2.202 1.00 0.00 N ATOM 1326 CA ASN A 84 -4.615 13.746 1.953 1.00 0.00 C ATOM 1327 C ASN A 84 -4.745 14.475 0.596 1.00 0.00 C ATOM 1328 O ASN A 84 -5.838 14.532 0.030 1.00 0.00 O ATOM 1329 CB ASN A 84 -4.984 14.684 3.123 1.00 0.00 C ATOM 1330 CG ASN A 84 -4.125 15.942 3.223 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -2.918 15.927 3.026 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -4.717 17.077 3.517 1.00 0.00 N ATOM 0 H ASN A 84 -2.646 13.884 2.627 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.312 12.910 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.028 14.980 3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.902 14.128 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.171 17.936 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.723 17.099 3.683 1.00 0.00 H new ATOM 1339 N ALA A 85 -3.652 15.050 0.081 1.00 0.00 N ATOM 1340 CA ALA A 85 -3.636 15.876 -1.130 1.00 0.00 C ATOM 1341 C ALA A 85 -3.653 15.071 -2.448 1.00 0.00 C ATOM 1342 O ALA A 85 -4.066 15.599 -3.485 1.00 0.00 O ATOM 1343 CB ALA A 85 -2.408 16.792 -1.055 1.00 0.00 C ATOM 0 H ALA A 85 -2.730 14.951 0.507 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.560 16.454 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.368 17.421 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.478 17.422 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.504 16.185 -0.999 1.00 0.00 H new ATOM 1349 N GLN A 86 -3.217 13.806 -2.427 1.00 0.00 N ATOM 1350 CA GLN A 86 -3.210 12.908 -3.590 1.00 0.00 C ATOM 1351 C GLN A 86 -4.626 12.666 -4.153 1.00 0.00 C ATOM 1352 O GLN A 86 -5.575 12.416 -3.404 1.00 0.00 O ATOM 1353 CB GLN A 86 -2.496 11.587 -3.234 1.00 0.00 C ATOM 1354 CG GLN A 86 -3.188 10.756 -2.133 1.00 0.00 C ATOM 1355 CD GLN A 86 -2.358 9.559 -1.657 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -1.575 8.964 -2.388 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -2.523 9.140 -0.420 1.00 0.00 N ATOM 0 H GLN A 86 -2.851 13.367 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.651 13.396 -4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.418 10.978 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.479 11.814 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.401 11.402 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.146 10.397 -2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.171 9.625 0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -2.003 8.330 -0.082 1.00 0.00 H new ATOM 1366 N GLN A 87 -4.768 12.722 -5.481 1.00 0.00 N ATOM 1367 CA GLN A 87 -6.005 12.350 -6.182 1.00 0.00 C ATOM 1368 C GLN A 87 -6.126 10.828 -6.372 1.00 0.00 C ATOM 1369 O GLN A 87 -5.132 10.096 -6.318 1.00 0.00 O ATOM 1370 CB GLN A 87 -6.105 13.088 -7.531 1.00 0.00 C ATOM 1371 CG GLN A 87 -5.083 12.650 -8.601 1.00 0.00 C ATOM 1372 CD GLN A 87 -5.553 13.001 -10.012 1.00 0.00 C ATOM 1373 OE1 GLN A 87 -5.153 13.997 -10.604 1.00 0.00 O ATOM 1374 NE2 GLN A 87 -6.430 12.214 -10.603 1.00 0.00 N ATOM 0 H GLN A 87 -4.023 13.029 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.842 12.658 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.109 12.945 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.983 14.156 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.125 13.131 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.920 11.575 -8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.773 11.381 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.766 12.438 -11.540 1.00 0.00 H new ATOM 1383 N LEU A 88 -7.341 10.352 -6.654 1.00 0.00 N ATOM 1384 CA LEU A 88 -7.580 8.979 -7.104 1.00 0.00 C ATOM 1385 C LEU A 88 -7.166 8.845 -8.582 1.00 0.00 C ATOM 1386 O LEU A 88 -7.449 9.727 -9.399 1.00 0.00 O ATOM 1387 CB LEU A 88 -9.060 8.589 -6.904 1.00 0.00 C ATOM 1388 CG LEU A 88 -9.550 8.329 -5.463 1.00 0.00 C ATOM 1389 CD1 LEU A 88 -8.749 7.229 -4.761 1.00 0.00 C ATOM 1390 CD2 LEU A 88 -9.557 9.571 -4.568 1.00 0.00 C ATOM 0 H LEU A 88 -8.191 10.911 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.977 8.295 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.675 9.382 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.251 7.690 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 88 -10.582 8.006 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -9.134 7.086 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.842 6.298 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.699 7.519 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.914 9.301 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.546 9.972 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.216 10.326 -4.998 1.00 0.00 H new ATOM 1402 N HIS A 89 -6.497 7.741 -8.922 1.00 0.00 N ATOM 1403 CA HIS A 89 -6.111 7.352 -10.288 1.00 0.00 C ATOM 1404 C HIS A 89 -5.752 5.855 -10.346 1.00 0.00 C ATOM 1405 O HIS A 89 -5.604 5.201 -9.310 1.00 0.00 O ATOM 1406 CB HIS A 89 -4.925 8.210 -10.779 1.00 0.00 C ATOM 1407 CG HIS A 89 -3.600 7.895 -10.125 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -2.689 6.930 -10.569 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -3.106 8.483 -8.997 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -1.665 6.962 -9.698 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -1.889 7.886 -8.747 1.00 0.00 N ATOM 0 H HIS A 89 -6.194 7.061 -8.225 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.962 7.527 -10.947 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.822 8.080 -11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.159 9.260 -10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.576 9.262 -8.415 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.788 6.335 -9.754 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -1.264 8.108 -7.972 1.00 0.00 H new ATOM 1419 N GLU A 90 -5.585 5.313 -11.556 1.00 0.00 N ATOM 1420 CA GLU A 90 -5.036 3.970 -11.784 1.00 0.00 C ATOM 1421 C GLU A 90 -4.260 3.929 -13.112 1.00 0.00 C ATOM 1422 O GLU A 90 -4.851 3.790 -14.189 1.00 0.00 O ATOM 1423 CB GLU A 90 -6.173 2.927 -11.722 1.00 0.00 C ATOM 1424 CG GLU A 90 -5.730 1.470 -11.930 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.722 1.003 -10.863 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -3.510 1.287 -11.011 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.140 0.341 -9.881 1.00 0.00 O ATOM 0 H GLU A 90 -5.830 5.800 -12.418 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.323 3.720 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.666 3.006 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.916 3.177 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.605 0.821 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.282 1.367 -12.918 1.00 0.00 H new ATOM 1434 N ARG A 91 -2.931 4.096 -13.043 1.00 0.00 N ATOM 1435 CA ARG A 91 -2.018 4.129 -14.194 1.00 0.00 C ATOM 1436 C ARG A 91 -0.611 3.642 -13.815 1.00 0.00 C ATOM 1437 O ARG A 91 -0.102 3.987 -12.749 1.00 0.00 O ATOM 1438 CB ARG A 91 -1.997 5.561 -14.760 1.00 0.00 C ATOM 1439 CG ARG A 91 -1.432 5.581 -16.182 1.00 0.00 C ATOM 1440 CD ARG A 91 -1.522 6.976 -16.810 1.00 0.00 C ATOM 1441 NE ARG A 91 -1.096 6.944 -18.224 1.00 0.00 N ATOM 1442 CZ ARG A 91 -1.831 7.177 -19.299 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -3.104 7.454 -19.233 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -1.299 7.135 -20.485 1.00 0.00 N ATOM 0 H ARG A 91 -2.446 4.216 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.376 3.444 -14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.007 5.970 -14.761 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.394 6.201 -14.116 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.392 5.257 -16.164 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.978 4.868 -16.800 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.546 7.345 -16.742 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.895 7.672 -16.252 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.116 6.714 -18.392 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.570 7.498 -18.327 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.633 7.627 -20.088 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.307 6.921 -20.592 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.873 7.316 -21.308 1.00 0.00 H new ATOM 1458 N ILE A 92 0.009 2.855 -14.701 1.00 0.00 N ATOM 1459 CA ILE A 92 1.310 2.180 -14.485 1.00 0.00 C ATOM 1460 C ILE A 92 2.486 2.793 -15.270 1.00 0.00 C ATOM 1461 O ILE A 92 3.642 2.480 -14.989 1.00 0.00 O ATOM 1462 CB ILE A 92 1.172 0.669 -14.796 1.00 0.00 C ATOM 1463 CG1 ILE A 92 0.796 0.415 -16.279 1.00 0.00 C ATOM 1464 CG2 ILE A 92 0.169 0.023 -13.820 1.00 0.00 C ATOM 1465 CD1 ILE A 92 0.794 -1.057 -16.706 1.00 0.00 C ATOM 0 H ILE A 92 -0.387 2.659 -15.620 1.00 0.00 H new ATOM 0 HA ILE A 92 1.560 2.330 -13.435 1.00 0.00 H new ATOM 0 HB ILE A 92 2.142 0.195 -14.648 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.194 0.832 -16.463 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.495 0.960 -16.913 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.076 -1.040 -14.044 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.524 0.149 -12.797 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.804 0.503 -13.928 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.519 -1.130 -17.758 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.788 -1.479 -16.560 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.073 -1.610 -16.103 1.00 0.00 H new ATOM 1477 N GLN A 93 2.210 3.630 -16.279 1.00 0.00 N ATOM 1478 CA GLN A 93 3.201 4.174 -17.222 1.00 0.00 C ATOM 1479 C GLN A 93 2.678 5.434 -17.930 1.00 0.00 C ATOM 1480 O GLN A 93 1.465 5.638 -18.033 1.00 0.00 O ATOM 1481 CB GLN A 93 3.580 3.088 -18.256 1.00 0.00 C ATOM 1482 CG GLN A 93 2.439 2.721 -19.230 1.00 0.00 C ATOM 1483 CD GLN A 93 2.653 1.408 -19.986 1.00 0.00 C ATOM 1484 OE1 GLN A 93 3.599 0.658 -19.785 1.00 0.00 O ATOM 1485 NE2 GLN A 93 1.768 1.074 -20.901 1.00 0.00 N ATOM 0 H GLN A 93 1.263 3.958 -16.469 1.00 0.00 H new ATOM 0 HA GLN A 93 4.087 4.465 -16.658 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.438 3.434 -18.832 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.893 2.189 -17.725 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.506 2.656 -18.670 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.321 3.528 -19.953 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.971 1.683 -21.086 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.879 0.206 -21.425 1.00 0.00 H new ATOM 1494 N SER A 94 3.576 6.257 -18.477 1.00 0.00 N ATOM 1495 CA SER A 94 3.213 7.372 -19.365 1.00 0.00 C ATOM 1496 C SER A 94 2.662 6.844 -20.699 1.00 0.00 C ATOM 1497 O SER A 94 1.481 7.036 -20.999 1.00 0.00 O ATOM 1498 CB SER A 94 4.420 8.301 -19.563 1.00 0.00 C ATOM 1499 OG SER A 94 5.555 7.584 -20.029 1.00 0.00 O ATOM 0 H SER A 94 4.580 6.171 -18.318 1.00 0.00 H new ATOM 0 HA SER A 94 2.419 7.957 -18.902 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.165 9.085 -20.276 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.660 8.794 -18.621 1.00 0.00 H new ATOM 0 HG SER A 94 6.306 8.202 -20.147 1.00 0.00 H new ATOM 1505 N SER A 95 3.479 6.110 -21.459 1.00 0.00 N ATOM 1506 CA SER A 95 3.110 5.359 -22.668 1.00 0.00 C ATOM 1507 C SER A 95 4.178 4.305 -23.006 1.00 0.00 C ATOM 1508 O SER A 95 5.371 4.539 -22.793 1.00 0.00 O ATOM 1509 CB SER A 95 2.927 6.318 -23.853 1.00 0.00 C ATOM 1510 OG SER A 95 2.519 5.610 -25.014 1.00 0.00 O ATOM 0 H SER A 95 4.470 6.017 -21.238 1.00 0.00 H new ATOM 0 HA SER A 95 2.168 4.846 -22.475 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.184 7.075 -23.603 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.862 6.842 -24.051 1.00 0.00 H new ATOM 0 HG SER A 95 2.406 6.238 -25.758 1.00 0.00 H new ATOM 1516 N SER A 96 3.764 3.144 -23.524 1.00 0.00 N ATOM 1517 CA SER A 96 4.653 2.054 -23.969 1.00 0.00 C ATOM 1518 C SER A 96 3.943 1.089 -24.935 1.00 0.00 C ATOM 1519 O SER A 96 2.711 1.079 -25.025 1.00 0.00 O ATOM 1520 CB SER A 96 5.193 1.286 -22.751 1.00 0.00 C ATOM 1521 OG SER A 96 6.236 0.403 -23.133 1.00 0.00 O ATOM 0 H SER A 96 2.776 2.926 -23.651 1.00 0.00 H new ATOM 0 HA SER A 96 5.483 2.506 -24.512 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.562 1.991 -22.006 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.386 0.722 -22.284 1.00 0.00 H new ATOM 0 HG SER A 96 6.566 -0.074 -22.343 1.00 0.00 H new ATOM 1527 N MET A 97 4.714 0.256 -25.641 1.00 0.00 N ATOM 1528 CA MET A 97 4.236 -0.834 -26.502 1.00 0.00 C ATOM 1529 C MET A 97 5.202 -2.029 -26.437 1.00 0.00 C ATOM 1530 O MET A 97 6.415 -1.870 -26.595 1.00 0.00 O ATOM 1531 CB MET A 97 4.046 -0.321 -27.941 1.00 0.00 C ATOM 1532 CG MET A 97 3.552 -1.415 -28.895 1.00 0.00 C ATOM 1533 SD MET A 97 3.213 -0.828 -30.578 1.00 0.00 S ATOM 1534 CE MET A 97 2.708 -2.396 -31.339 1.00 0.00 C ATOM 0 H MET A 97 5.732 0.325 -25.629 1.00 0.00 H new ATOM 0 HA MET A 97 3.267 -1.182 -26.144 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.333 0.503 -27.938 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.992 0.077 -28.309 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.299 -2.207 -28.941 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.644 -1.857 -28.485 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.459 -2.228 -32.387 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.526 -3.114 -31.271 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.836 -2.789 -30.817 1.00 0.00 H new ATOM 1544 N ASP A 98 4.669 -3.230 -26.202 1.00 0.00 N ATOM 1545 CA ASP A 98 5.455 -4.463 -26.050 1.00 0.00 C ATOM 1546 C ASP A 98 5.910 -5.077 -27.386 1.00 0.00 C ATOM 1547 O ASP A 98 5.184 -5.053 -28.384 1.00 0.00 O ATOM 1548 CB ASP A 98 4.662 -5.493 -25.229 1.00 0.00 C ATOM 1549 CG ASP A 98 4.373 -5.011 -23.803 1.00 0.00 C ATOM 1550 OD1 ASP A 98 5.296 -4.493 -23.131 1.00 0.00 O ATOM 1551 OD2 ASP A 98 3.231 -5.170 -23.318 1.00 0.00 O ATOM 0 H ASP A 98 3.664 -3.379 -26.110 1.00 0.00 H new ATOM 0 HA ASP A 98 6.367 -4.185 -25.522 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.720 -5.708 -25.734 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.222 -6.427 -25.187 1.00 0.00 H new ATOM 1556 N ALA A 99 7.102 -5.683 -27.372 1.00 0.00 N ATOM 1557 CA ALA A 99 7.696 -6.427 -28.493 1.00 0.00 C ATOM 1558 C ALA A 99 8.388 -7.745 -28.057 1.00 0.00 C ATOM 1559 O ALA A 99 9.107 -8.369 -28.845 1.00 0.00 O ATOM 1560 CB ALA A 99 8.640 -5.480 -29.249 1.00 0.00 C ATOM 0 H ALA A 99 7.704 -5.669 -26.549 1.00 0.00 H new ATOM 0 HA ALA A 99 6.900 -6.757 -29.161 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.093 -6.010 -30.086 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.076 -4.626 -29.623 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.422 -5.131 -28.575 1.00 0.00 H new ATOM 1566 N LYS A 100 8.194 -8.172 -26.798 1.00 0.00 N ATOM 1567 CA LYS A 100 8.800 -9.378 -26.208 1.00 0.00 C ATOM 1568 C LYS A 100 8.213 -10.669 -26.793 1.00 0.00 C ATOM 1569 O LYS A 100 6.994 -10.860 -26.790 1.00 0.00 O ATOM 1570 CB LYS A 100 8.605 -9.364 -24.678 1.00 0.00 C ATOM 1571 CG LYS A 100 9.469 -8.340 -23.919 1.00 0.00 C ATOM 1572 CD LYS A 100 10.966 -8.678 -24.003 1.00 0.00 C ATOM 1573 CE LYS A 100 11.772 -7.936 -22.933 1.00 0.00 C ATOM 1574 NZ LYS A 100 13.161 -8.460 -22.863 1.00 0.00 N ATOM 0 H LYS A 100 7.593 -7.672 -26.143 1.00 0.00 H new ATOM 0 HA LYS A 100 9.863 -9.362 -26.450 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.556 -9.161 -24.463 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.824 -10.359 -24.290 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.298 -7.345 -24.330 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.162 -8.310 -22.874 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.104 -9.753 -23.884 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.344 -8.416 -24.991 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.791 -6.870 -23.159 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.287 -8.047 -21.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.660 -8.016 -22.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.137 -9.491 -22.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.660 -8.240 -23.749 1.00 0.00 H new ATOM 1588 N LEU A 101 9.089 -11.574 -27.238 1.00 0.00 N ATOM 1589 CA LEU A 101 8.740 -12.952 -27.625 1.00 0.00 C ATOM 1590 C LEU A 101 8.668 -13.898 -26.409 1.00 0.00 C ATOM 1591 O LEU A 101 7.875 -14.839 -26.383 1.00 0.00 O ATOM 1592 CB LEU A 101 9.766 -13.424 -28.677 1.00 0.00 C ATOM 1593 CG LEU A 101 9.540 -14.845 -29.231 1.00 0.00 C ATOM 1594 CD1 LEU A 101 8.204 -14.982 -29.965 1.00 0.00 C ATOM 1595 CD2 LEU A 101 10.658 -15.193 -30.215 1.00 0.00 C ATOM 0 H LEU A 101 10.083 -11.369 -27.343 1.00 0.00 H new ATOM 0 HA LEU A 101 7.740 -12.971 -28.057 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.755 -12.722 -29.510 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.761 -13.379 -28.235 1.00 0.00 H new ATOM 0 HG LEU A 101 9.535 -15.522 -28.376 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.095 -16.001 -30.335 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.387 -14.755 -29.280 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.177 -14.287 -30.804 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.498 -16.198 -30.607 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.654 -14.478 -31.038 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.619 -15.152 -29.703 1.00 0.00 H new ATOM 1607 N GLU A 102 9.491 -13.631 -25.395 1.00 0.00 N ATOM 1608 CA GLU A 102 9.518 -14.344 -24.108 1.00 0.00 C ATOM 1609 C GLU A 102 8.327 -13.978 -23.195 1.00 0.00 C ATOM 1610 O GLU A 102 7.749 -12.892 -23.298 1.00 0.00 O ATOM 1611 CB GLU A 102 10.870 -14.111 -23.403 1.00 0.00 C ATOM 1612 CG GLU A 102 11.109 -12.655 -22.965 1.00 0.00 C ATOM 1613 CD GLU A 102 12.533 -12.397 -22.427 1.00 0.00 C ATOM 1614 OE1 GLU A 102 13.189 -13.329 -21.900 1.00 0.00 O ATOM 1615 OE2 GLU A 102 13.000 -11.234 -22.515 1.00 0.00 O ATOM 0 H GLU A 102 10.185 -12.885 -25.444 1.00 0.00 H new ATOM 0 HA GLU A 102 9.412 -15.408 -24.320 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.926 -14.756 -22.526 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.674 -14.414 -24.074 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.925 -11.995 -23.812 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.385 -12.393 -22.193 1.00 0.00 H new ATOM 1622 N ALA A 103 7.979 -14.887 -22.279 1.00 0.00 N ATOM 1623 CA ALA A 103 6.885 -14.749 -21.312 1.00 0.00 C ATOM 1624 C ALA A 103 7.136 -15.591 -20.038 1.00 0.00 C ATOM 1625 O ALA A 103 8.039 -16.434 -20.003 1.00 0.00 O ATOM 1626 CB ALA A 103 5.571 -15.154 -22.002 1.00 0.00 C ATOM 0 H ALA A 103 8.472 -15.775 -22.187 1.00 0.00 H new ATOM 0 HA ALA A 103 6.823 -13.711 -20.984 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.745 -15.058 -21.297 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.395 -14.504 -22.859 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.641 -16.188 -22.340 1.00 0.00 H new ATOM 1632 N LEU A 104 6.322 -15.373 -19.000 1.00 0.00 N ATOM 1633 CA LEU A 104 6.343 -16.113 -17.728 1.00 0.00 C ATOM 1634 C LEU A 104 4.924 -16.328 -17.158 1.00 0.00 C ATOM 1635 O LEU A 104 3.946 -15.776 -17.676 1.00 0.00 O ATOM 1636 CB LEU A 104 7.333 -15.445 -16.745 1.00 0.00 C ATOM 1637 CG LEU A 104 7.140 -13.949 -16.413 1.00 0.00 C ATOM 1638 CD1 LEU A 104 5.884 -13.662 -15.590 1.00 0.00 C ATOM 1639 CD2 LEU A 104 8.345 -13.467 -15.601 1.00 0.00 C ATOM 0 H LEU A 104 5.603 -14.650 -19.021 1.00 0.00 H new ATOM 0 HA LEU A 104 6.715 -17.122 -17.906 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.296 -16.001 -15.808 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.337 -15.569 -17.150 1.00 0.00 H new ATOM 0 HG LEU A 104 7.039 -13.429 -17.366 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.814 -12.592 -15.395 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.004 -13.988 -16.144 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.938 -14.201 -14.644 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.222 -12.411 -15.359 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.417 -14.044 -14.679 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.255 -13.602 -16.186 1.00 0.00 H new ATOM 1651 N LYS A 105 4.807 -17.160 -16.113 1.00 0.00 N ATOM 1652 CA LYS A 105 3.529 -17.564 -15.496 1.00 0.00 C ATOM 1653 C LYS A 105 2.728 -16.366 -14.961 1.00 0.00 C ATOM 1654 O LYS A 105 3.276 -15.470 -14.318 1.00 0.00 O ATOM 1655 CB LYS A 105 3.811 -18.604 -14.390 1.00 0.00 C ATOM 1656 CG LYS A 105 2.572 -19.146 -13.652 1.00 0.00 C ATOM 1657 CD LYS A 105 1.606 -19.932 -14.557 1.00 0.00 C ATOM 1658 CE LYS A 105 0.338 -20.378 -13.812 1.00 0.00 C ATOM 1659 NZ LYS A 105 0.613 -21.412 -12.779 1.00 0.00 N ATOM 0 H LYS A 105 5.617 -17.583 -15.660 1.00 0.00 H new ATOM 0 HA LYS A 105 2.901 -18.015 -16.264 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.343 -19.445 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.481 -18.155 -13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.899 -19.792 -12.837 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.035 -18.312 -13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.325 -19.312 -15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.117 -20.808 -14.955 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.124 -19.512 -13.339 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.382 -20.770 -14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.275 -21.677 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.029 -22.252 -13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.278 -21.032 -12.076 1.00 0.00 H new ATOM 1673 N ASP A 106 1.418 -16.387 -15.195 1.00 0.00 N ATOM 1674 CA ASP A 106 0.453 -15.344 -14.821 1.00 0.00 C ATOM 1675 C ASP A 106 -0.894 -15.940 -14.351 1.00 0.00 C ATOM 1676 O ASP A 106 -1.060 -17.162 -14.260 1.00 0.00 O ATOM 1677 CB ASP A 106 0.266 -14.370 -16.002 1.00 0.00 C ATOM 1678 CG ASP A 106 -0.422 -14.948 -17.254 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -0.882 -14.136 -18.089 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -0.517 -16.185 -17.434 1.00 0.00 O ATOM 0 H ASP A 106 0.974 -17.170 -15.675 1.00 0.00 H new ATOM 0 HA ASP A 106 0.852 -14.793 -13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -0.316 -13.516 -15.654 1.00 0.00 H new ATOM 0 HB3 ASP A 106 1.246 -13.991 -16.293 1.00 0.00 H new ATOM 1685 N LEU A 107 -1.857 -15.068 -14.029 1.00 0.00 N ATOM 1686 CA LEU A 107 -3.211 -15.413 -13.577 1.00 0.00 C ATOM 1687 C LEU A 107 -4.241 -14.403 -14.118 1.00 0.00 C ATOM 1688 O LEU A 107 -3.970 -13.203 -14.175 1.00 0.00 O ATOM 1689 CB LEU A 107 -3.206 -15.482 -12.035 1.00 0.00 C ATOM 1690 CG LEU A 107 -4.551 -15.842 -11.374 1.00 0.00 C ATOM 1691 CD1 LEU A 107 -5.007 -17.261 -11.722 1.00 0.00 C ATOM 1692 CD2 LEU A 107 -4.422 -15.748 -9.853 1.00 0.00 C ATOM 0 H LEU A 107 -1.708 -14.060 -14.078 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.506 -16.386 -13.968 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.463 -16.217 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.880 -14.517 -11.648 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.289 -15.135 -11.753 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.959 -17.468 -11.233 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.127 -17.350 -12.802 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.260 -17.977 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.375 -16.003 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.655 -16.442 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.144 -14.732 -9.574 1.00 0.00 H new ATOM 1704 N ALA A 108 -5.437 -14.873 -14.479 1.00 0.00 N ATOM 1705 CA ALA A 108 -6.550 -14.062 -14.994 1.00 0.00 C ATOM 1706 C ALA A 108 -7.303 -13.262 -13.896 1.00 0.00 C ATOM 1707 O ALA A 108 -8.534 -13.179 -13.905 1.00 0.00 O ATOM 1708 CB ALA A 108 -7.467 -14.984 -15.812 1.00 0.00 C ATOM 0 H ALA A 108 -5.669 -15.865 -14.420 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.151 -13.279 -15.639 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.303 -14.408 -16.207 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.903 -15.418 -16.638 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.846 -15.781 -15.172 1.00 0.00 H new ATOM 1714 N SER A 109 -6.581 -12.695 -12.926 1.00 0.00 N ATOM 1715 CA SER A 109 -7.120 -11.976 -11.756 1.00 0.00 C ATOM 1716 C SER A 109 -7.442 -10.489 -12.003 1.00 0.00 C ATOM 1717 O SER A 109 -8.037 -9.840 -11.137 1.00 0.00 O ATOM 1718 CB SER A 109 -6.124 -12.104 -10.598 1.00 0.00 C ATOM 1719 OG SER A 109 -4.861 -11.563 -10.960 1.00 0.00 O ATOM 0 H SER A 109 -5.561 -12.722 -12.929 1.00 0.00 H new ATOM 0 HA SER A 109 -8.076 -12.443 -11.521 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.510 -11.585 -9.721 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.011 -13.153 -10.323 1.00 0.00 H new ATOM 0 HG SER A 109 -4.239 -11.652 -10.208 1.00 0.00 H new ATOM 1725 N LEU A 110 -7.065 -9.933 -13.162 1.00 0.00 N ATOM 1726 CA LEU A 110 -7.236 -8.511 -13.501 1.00 0.00 C ATOM 1727 C LEU A 110 -8.714 -8.090 -13.633 1.00 0.00 C ATOM 1728 O LEU A 110 -9.576 -8.888 -14.012 1.00 0.00 O ATOM 1729 CB LEU A 110 -6.466 -8.178 -14.796 1.00 0.00 C ATOM 1730 CG LEU A 110 -4.951 -8.461 -14.763 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -4.334 -8.080 -16.109 1.00 0.00 C ATOM 1732 CD2 LEU A 110 -4.223 -7.676 -13.670 1.00 0.00 C ATOM 0 H LEU A 110 -6.623 -10.470 -13.908 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.825 -7.939 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.906 -8.747 -15.615 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.615 -7.123 -15.025 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.835 -9.524 -14.552 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.263 -8.279 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.797 -8.669 -16.901 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.502 -7.020 -16.299 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.160 -7.916 -13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.357 -6.608 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.632 -7.944 -12.696 1.00 0.00 H new ATOM 1744 N SER A 111 -9.007 -6.817 -13.355 1.00 0.00 N ATOM 1745 CA SER A 111 -10.359 -6.248 -13.485 1.00 0.00 C ATOM 1746 C SER A 111 -10.834 -6.211 -14.948 1.00 0.00 C ATOM 1747 O SER A 111 -10.064 -5.882 -15.857 1.00 0.00 O ATOM 1748 CB SER A 111 -10.407 -4.851 -12.857 1.00 0.00 C ATOM 1749 OG SER A 111 -11.737 -4.359 -12.852 1.00 0.00 O ATOM 0 H SER A 111 -8.312 -6.145 -13.031 1.00 0.00 H new ATOM 0 HA SER A 111 -11.046 -6.901 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.023 -4.890 -11.838 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.763 -4.172 -13.415 1.00 0.00 H new ATOM 0 HG SER A 111 -11.754 -3.467 -12.447 1.00 0.00 H new ATOM 1755 N ARG A 112 -12.105 -6.566 -15.182 1.00 0.00 N ATOM 1756 CA ARG A 112 -12.745 -6.606 -16.513 1.00 0.00 C ATOM 1757 C ARG A 112 -13.162 -5.206 -16.998 1.00 0.00 C ATOM 1758 O ARG A 112 -13.464 -4.320 -16.195 1.00 0.00 O ATOM 1759 CB ARG A 112 -13.954 -7.564 -16.491 1.00 0.00 C ATOM 1760 CG ARG A 112 -13.605 -9.049 -16.701 1.00 0.00 C ATOM 1761 CD ARG A 112 -12.631 -9.640 -15.671 1.00 0.00 C ATOM 1762 NE ARG A 112 -12.502 -11.102 -15.840 1.00 0.00 N ATOM 1763 CZ ARG A 112 -11.574 -11.880 -15.312 1.00 0.00 C ATOM 1764 NH1 ARG A 112 -10.607 -11.422 -14.576 1.00 0.00 N ATOM 1765 NH2 ARG A 112 -11.586 -13.166 -15.512 1.00 0.00 N ATOM 0 H ARG A 112 -12.738 -6.842 -14.432 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.009 -6.980 -17.224 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.467 -7.457 -15.535 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -14.657 -7.257 -17.266 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -14.527 -9.630 -16.681 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.175 -9.168 -17.695 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.653 -9.170 -15.779 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.982 -9.417 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.202 -11.558 -16.425 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.542 -10.422 -14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.913 -12.062 -14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.319 -13.586 -16.083 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.862 -13.753 -15.097 1.00 0.00 H new ATOM 1779 N ASP A 113 -13.199 -5.030 -18.322 1.00 0.00 N ATOM 1780 CA ASP A 113 -13.658 -3.813 -19.022 1.00 0.00 C ATOM 1781 C ASP A 113 -15.192 -3.618 -18.947 1.00 0.00 C ATOM 1782 O ASP A 113 -15.652 -2.701 -18.228 1.00 0.00 O ATOM 1783 CB ASP A 113 -13.157 -3.866 -20.484 1.00 0.00 C ATOM 1784 CG ASP A 113 -13.560 -2.662 -21.368 1.00 0.00 C ATOM 1785 OD1 ASP A 113 -13.816 -1.548 -20.847 1.00 0.00 O ATOM 1786 OD2 ASP A 113 -13.574 -2.819 -22.615 1.00 0.00 O ATOM 1787 OXT ASP A 113 -15.933 -4.401 -19.586 1.00 0.00 O ATOM 0 H ASP A 113 -12.898 -5.759 -18.969 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.235 -2.943 -18.519 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.070 -3.940 -20.475 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.535 -4.778 -20.947 1.00 0.00 H new TER 1792 ASP A 113