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 Set 1.1: A 84 ASN : amide:sc= 0.514 K(o=1.1,f=-1.1!) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0.591 USER MOD Single : A 0 GLY N :NH3+ -111:sc= 0.0641 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -170:sc= -0.562 (180deg=-0.756) USER MOD Single : A 26 GLN : amide:sc= 1.39 K(o=1.4,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 1.21 (180deg=0.432) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 1.26 (180deg=0.935) USER MOD Single : A 38 CYS SG : rot 80:sc= 0.389 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= -0.266 X(o=-0.27,f=-0.047) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.8 K(o=1.8,f=-4.3!) USER MOD Single : A 53 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.01) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.04 K(o=1,f=-0.52) USER MOD Single : A 67 ASN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.664 K(o=0.66,f=-3.2!) USER MOD Single : A 73 THR OG1 : rot 61:sc= 1.73 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= 0.0194 USER MOD Single : A 83 GLN : amide:sc= 0.628 K(o=0.63,f=-8.4!) USER MOD Single : A 86 GLN : amide:sc= 0.464 K(o=0.46,f=-3.5!) USER MOD Single : A 87 GLN : amide:sc= 1.65 K(o=1.6,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 115:sc= 0.974 USER MOD Single : A 97 MET CE :methyl 174:sc= 0 (180deg=-0.0421) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00707) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 2.617 -18.928 -25.442 1.00 0.00 N ATOM 2 CA GLY A 0 2.634 -17.471 -25.181 1.00 0.00 C ATOM 3 C GLY A 0 4.050 -16.911 -25.177 1.00 0.00 C ATOM 4 O GLY A 0 5.017 -17.648 -24.968 1.00 0.00 O ATOM 0 H1 GLY A 0 2.201 -19.108 -26.378 1.00 0.00 H new ATOM 0 H2 GLY A 0 3.589 -19.296 -25.418 1.00 0.00 H new ATOM 0 H3 GLY A 0 2.049 -19.405 -24.713 1.00 0.00 H new ATOM 0 HA2 GLY A 0 2.043 -16.959 -25.941 1.00 0.00 H new ATOM 0 HA3 GLY A 0 2.161 -17.269 -24.220 1.00 0.00 H new ATOM 10 N MET A 1 4.189 -15.603 -25.409 1.00 0.00 N ATOM 11 CA MET A 1 5.483 -14.894 -25.392 1.00 0.00 C ATOM 12 C MET A 1 6.076 -14.771 -23.966 1.00 0.00 C ATOM 13 O MET A 1 5.313 -14.766 -22.991 1.00 0.00 O ATOM 14 CB MET A 1 5.331 -13.498 -26.021 1.00 0.00 C ATOM 15 CG MET A 1 4.955 -13.562 -27.506 1.00 0.00 C ATOM 16 SD MET A 1 4.849 -11.937 -28.305 1.00 0.00 S ATOM 17 CE MET A 1 4.427 -12.457 -29.991 1.00 0.00 C ATOM 0 H MET A 1 3.398 -14.993 -25.617 1.00 0.00 H new ATOM 0 HA MET A 1 6.181 -15.490 -25.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.567 -12.940 -25.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.266 -12.949 -25.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.693 -14.168 -28.032 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.996 -14.069 -27.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.322 -11.578 -30.627 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.218 -13.096 -30.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.487 -13.009 -29.977 1.00 0.00 H new ATOM 27 N PRO A 2 7.411 -14.631 -23.813 1.00 0.00 N ATOM 28 CA PRO A 2 8.060 -14.393 -22.517 1.00 0.00 C ATOM 29 C PRO A 2 7.590 -13.101 -21.811 1.00 0.00 C ATOM 30 O PRO A 2 7.165 -12.154 -22.485 1.00 0.00 O ATOM 31 CB PRO A 2 9.566 -14.334 -22.811 1.00 0.00 C ATOM 32 CG PRO A 2 9.714 -15.132 -24.102 1.00 0.00 C ATOM 33 CD PRO A 2 8.427 -14.795 -24.848 1.00 0.00 C ATOM 0 HA PRO A 2 7.796 -15.192 -21.825 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.910 -13.307 -22.933 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.150 -14.771 -22.001 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.599 -14.834 -24.664 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.804 -16.201 -23.910 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.540 -13.884 -25.435 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.156 -15.590 -25.542 1.00 0.00 H new ATOM 41 N PRO A 3 7.694 -13.016 -20.468 1.00 0.00 N ATOM 42 CA PRO A 3 7.397 -11.796 -19.711 1.00 0.00 C ATOM 43 C PRO A 3 8.382 -10.648 -20.034 1.00 0.00 C ATOM 44 O PRO A 3 9.514 -10.907 -20.464 1.00 0.00 O ATOM 45 CB PRO A 3 7.466 -12.207 -18.235 1.00 0.00 C ATOM 46 CG PRO A 3 8.465 -13.364 -18.239 1.00 0.00 C ATOM 47 CD PRO A 3 8.173 -14.059 -19.567 1.00 0.00 C ATOM 0 HA PRO A 3 6.416 -11.399 -19.974 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.805 -11.385 -17.604 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.492 -12.518 -17.858 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.494 -13.010 -18.186 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.314 -14.032 -17.391 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.069 -14.536 -19.963 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.424 -14.841 -19.442 1.00 0.00 H new ATOM 55 N PRO A 4 7.989 -9.374 -19.826 1.00 0.00 N ATOM 56 CA PRO A 4 8.833 -8.213 -20.114 1.00 0.00 C ATOM 57 C PRO A 4 10.063 -8.134 -19.193 1.00 0.00 C ATOM 58 O PRO A 4 9.999 -8.463 -18.006 1.00 0.00 O ATOM 59 CB PRO A 4 7.919 -6.992 -19.952 1.00 0.00 C ATOM 60 CG PRO A 4 6.878 -7.463 -18.936 1.00 0.00 C ATOM 61 CD PRO A 4 6.705 -8.940 -19.289 1.00 0.00 C ATOM 0 HA PRO A 4 9.249 -8.274 -21.120 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.469 -6.123 -19.591 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.458 -6.707 -20.897 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.224 -7.330 -17.911 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.942 -6.912 -19.031 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.432 -9.523 -18.409 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.909 -9.076 -20.021 1.00 0.00 H new ATOM 69 N ALA A 5 11.181 -7.636 -19.731 1.00 0.00 N ATOM 70 CA ALA A 5 12.441 -7.434 -19.003 1.00 0.00 C ATOM 71 C ALA A 5 12.474 -6.161 -18.122 1.00 0.00 C ATOM 72 O ALA A 5 13.482 -5.868 -17.477 1.00 0.00 O ATOM 73 CB ALA A 5 13.586 -7.454 -20.026 1.00 0.00 C ATOM 0 H ALA A 5 11.238 -7.355 -20.710 1.00 0.00 H new ATOM 0 HA ALA A 5 12.551 -8.247 -18.285 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.536 -7.306 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.598 -8.415 -20.540 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.438 -6.655 -20.753 1.00 0.00 H new ATOM 79 N ASP A 6 11.377 -5.400 -18.086 1.00 0.00 N ATOM 80 CA ASP A 6 11.218 -4.124 -17.367 1.00 0.00 C ATOM 81 C ASP A 6 10.964 -4.318 -15.852 1.00 0.00 C ATOM 82 O ASP A 6 10.005 -3.795 -15.281 1.00 0.00 O ATOM 83 CB ASP A 6 10.134 -3.272 -18.055 1.00 0.00 C ATOM 84 CG ASP A 6 10.377 -2.991 -19.550 1.00 0.00 C ATOM 85 OD1 ASP A 6 9.375 -2.797 -20.281 1.00 0.00 O ATOM 86 OD2 ASP A 6 11.547 -2.925 -19.999 1.00 0.00 O ATOM 0 H ASP A 6 10.528 -5.668 -18.583 1.00 0.00 H new ATOM 0 HA ASP A 6 12.161 -3.580 -17.422 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.174 -3.777 -17.947 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.054 -2.320 -17.530 1.00 0.00 H new ATOM 91 N ILE A 7 11.820 -5.109 -15.198 1.00 0.00 N ATOM 92 CA ILE A 7 11.759 -5.456 -13.770 1.00 0.00 C ATOM 93 C ILE A 7 13.158 -5.304 -13.158 1.00 0.00 C ATOM 94 O ILE A 7 14.145 -5.761 -13.741 1.00 0.00 O ATOM 95 CB ILE A 7 11.191 -6.882 -13.551 1.00 0.00 C ATOM 96 CG1 ILE A 7 9.846 -7.082 -14.291 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.048 -7.179 -12.044 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.184 -8.452 -14.100 1.00 0.00 C ATOM 0 H ILE A 7 12.612 -5.546 -15.669 1.00 0.00 H new ATOM 0 HA ILE A 7 11.074 -4.773 -13.267 1.00 0.00 H new ATOM 0 HB ILE A 7 11.899 -7.593 -13.976 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.150 -6.312 -13.958 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.011 -6.923 -15.357 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.648 -8.184 -11.908 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.025 -7.109 -11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.370 -6.454 -11.593 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.249 -8.486 -14.660 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.853 -9.233 -14.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.979 -8.612 -13.042 1.00 0.00 H new ATOM 110 N VAL A 8 13.249 -4.673 -11.985 1.00 0.00 N ATOM 111 CA VAL A 8 14.512 -4.341 -11.302 1.00 0.00 C ATOM 112 C VAL A 8 14.479 -4.718 -9.819 1.00 0.00 C ATOM 113 O VAL A 8 13.539 -4.378 -9.098 1.00 0.00 O ATOM 114 CB VAL A 8 14.883 -2.854 -11.492 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.280 -2.563 -12.944 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.793 -1.855 -11.080 1.00 0.00 C ATOM 0 H VAL A 8 12.426 -4.368 -11.465 1.00 0.00 H new ATOM 0 HA VAL A 8 15.292 -4.942 -11.770 1.00 0.00 H new ATOM 0 HB VAL A 8 15.725 -2.705 -10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.536 -1.508 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.141 -3.173 -13.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.445 -2.800 -13.604 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.148 -0.839 -11.251 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.896 -2.031 -11.673 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.561 -1.986 -10.023 1.00 0.00 H new ATOM 126 N LYS A 9 15.516 -5.413 -9.341 1.00 0.00 N ATOM 127 CA LYS A 9 15.713 -5.724 -7.918 1.00 0.00 C ATOM 128 C LYS A 9 16.198 -4.486 -7.159 1.00 0.00 C ATOM 129 O LYS A 9 17.024 -3.732 -7.675 1.00 0.00 O ATOM 130 CB LYS A 9 16.677 -6.915 -7.784 1.00 0.00 C ATOM 131 CG LYS A 9 16.662 -7.536 -6.378 1.00 0.00 C ATOM 132 CD LYS A 9 17.529 -8.802 -6.340 1.00 0.00 C ATOM 133 CE LYS A 9 17.457 -9.465 -4.960 1.00 0.00 C ATOM 134 NZ LYS A 9 18.256 -10.719 -4.917 1.00 0.00 N ATOM 0 H LYS A 9 16.255 -5.782 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 9 14.764 -6.012 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.410 -7.677 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.689 -6.586 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.032 -6.813 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.639 -7.780 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.192 -9.503 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.563 -8.548 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.824 -8.772 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.418 -9.685 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.186 -11.143 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.890 -11.388 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.251 -10.504 -5.127 1.00 0.00 H new ATOM 148 N VAL A 10 15.708 -4.284 -5.940 1.00 0.00 N ATOM 149 CA VAL A 10 16.026 -3.140 -5.068 1.00 0.00 C ATOM 150 C VAL A 10 16.164 -3.577 -3.609 1.00 0.00 C ATOM 151 O VAL A 10 15.584 -4.584 -3.194 1.00 0.00 O ATOM 152 CB VAL A 10 14.972 -2.015 -5.182 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.900 -1.434 -6.598 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.564 -2.452 -4.755 1.00 0.00 C ATOM 0 H VAL A 10 15.052 -4.934 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 10 16.982 -2.744 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 10 15.315 -1.247 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.146 -0.647 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.870 -1.019 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.632 -2.222 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.875 -1.614 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.232 -3.276 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.584 -2.777 -3.715 1.00 0.00 H new ATOM 164 N ALA A 11 16.914 -2.800 -2.826 1.00 0.00 N ATOM 165 CA ALA A 11 16.977 -2.916 -1.367 1.00 0.00 C ATOM 166 C ALA A 11 16.280 -1.707 -0.722 1.00 0.00 C ATOM 167 O ALA A 11 16.363 -0.600 -1.253 1.00 0.00 O ATOM 168 CB ALA A 11 18.434 -3.050 -0.921 1.00 0.00 C ATOM 0 H ALA A 11 17.507 -2.057 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 11 16.451 -3.813 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.476 -3.136 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.872 -3.940 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.994 -2.170 -1.237 1.00 0.00 H new ATOM 174 N ILE A 12 15.591 -1.902 0.404 1.00 0.00 N ATOM 175 CA ILE A 12 14.720 -0.885 1.012 1.00 0.00 C ATOM 176 C ILE A 12 15.022 -0.745 2.505 1.00 0.00 C ATOM 177 O ILE A 12 14.952 -1.716 3.259 1.00 0.00 O ATOM 178 CB ILE A 12 13.225 -1.190 0.754 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.954 -1.490 -0.741 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.355 -0.008 1.242 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.514 -1.894 -1.039 1.00 0.00 C ATOM 0 H ILE A 12 15.620 -2.777 0.927 1.00 0.00 H new ATOM 0 HA ILE A 12 14.932 0.073 0.536 1.00 0.00 H new ATOM 0 HB ILE A 12 12.959 -2.085 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.202 -0.607 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.620 -2.289 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.304 -0.229 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.512 0.143 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.635 0.897 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.404 -2.087 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.266 -2.796 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.842 -1.088 -0.745 1.00 0.00 H new ATOM 193 N GLU A 13 15.343 0.473 2.932 1.00 0.00 N ATOM 194 CA GLU A 13 15.550 0.854 4.335 1.00 0.00 C ATOM 195 C GLU A 13 14.228 1.137 5.076 1.00 0.00 C ATOM 196 O GLU A 13 13.307 1.750 4.525 1.00 0.00 O ATOM 197 CB GLU A 13 16.448 2.103 4.406 1.00 0.00 C ATOM 198 CG GLU A 13 17.874 1.911 3.860 1.00 0.00 C ATOM 199 CD GLU A 13 18.743 0.938 4.686 1.00 0.00 C ATOM 200 OE1 GLU A 13 19.795 0.496 4.165 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.412 0.638 5.858 1.00 0.00 O ATOM 0 H GLU A 13 15.472 1.255 2.290 1.00 0.00 H new ATOM 0 HA GLU A 13 16.028 0.008 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.968 2.909 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.513 2.426 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.812 1.545 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.370 2.881 3.822 1.00 0.00 H new ATOM 208 N TRP A 14 14.169 0.753 6.356 1.00 0.00 N ATOM 209 CA TRP A 14 13.105 1.101 7.309 1.00 0.00 C ATOM 210 C TRP A 14 13.633 1.027 8.762 1.00 0.00 C ATOM 211 O TRP A 14 14.444 0.138 9.049 1.00 0.00 O ATOM 212 CB TRP A 14 11.903 0.166 7.109 1.00 0.00 C ATOM 213 CG TRP A 14 10.747 0.395 8.034 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.402 -0.403 9.067 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.809 1.515 8.065 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.315 0.133 9.729 1.00 0.00 N ATOM 217 CE2 TRP A 14 8.920 1.328 9.167 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.661 2.701 7.313 1.00 0.00 C ATOM 219 CZ2 TRP A 14 7.927 2.262 9.497 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.675 3.649 7.641 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.807 3.433 8.728 1.00 0.00 C ATOM 0 H TRP A 14 14.891 0.167 6.775 1.00 0.00 H new ATOM 0 HA TRP A 14 12.781 2.125 7.125 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.551 0.270 6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.242 -0.863 7.227 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.901 -1.322 9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.861 -0.301 10.533 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.315 2.883 6.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.264 2.084 10.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.583 4.551 7.054 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.051 4.165 8.971 1.00 0.00 H new ATOM 232 N PRO A 15 13.232 1.921 9.694 1.00 0.00 N ATOM 233 CA PRO A 15 13.790 1.957 11.050 1.00 0.00 C ATOM 234 C PRO A 15 13.504 0.687 11.868 1.00 0.00 C ATOM 235 O PRO A 15 12.419 0.105 11.790 1.00 0.00 O ATOM 236 CB PRO A 15 13.205 3.206 11.722 1.00 0.00 C ATOM 237 CG PRO A 15 12.840 4.100 10.540 1.00 0.00 C ATOM 238 CD PRO A 15 12.364 3.077 9.514 1.00 0.00 C ATOM 0 HA PRO A 15 14.878 1.999 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.332 2.965 12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.929 3.685 12.381 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.060 4.817 10.795 1.00 0.00 H new ATOM 0 HG3 PRO A 15 13.695 4.673 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.319 2.813 9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.439 3.472 8.501 1.00 0.00 H new ATOM 246 N GLY A 16 14.477 0.267 12.684 1.00 0.00 N ATOM 247 CA GLY A 16 14.362 -0.902 13.569 1.00 0.00 C ATOM 248 C GLY A 16 14.339 -2.267 12.858 1.00 0.00 C ATOM 249 O GLY A 16 13.995 -3.271 13.488 1.00 0.00 O ATOM 0 H GLY A 16 15.381 0.735 12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.197 -0.890 14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.450 -0.803 14.158 1.00 0.00 H new ATOM 253 N ALA A 17 14.693 -2.322 11.568 1.00 0.00 N ATOM 254 CA ALA A 17 14.677 -3.529 10.737 1.00 0.00 C ATOM 255 C ALA A 17 15.891 -3.613 9.792 1.00 0.00 C ATOM 256 O ALA A 17 16.495 -2.599 9.428 1.00 0.00 O ATOM 257 CB ALA A 17 13.359 -3.567 9.951 1.00 0.00 C ATOM 0 H ALA A 17 15.009 -1.497 11.058 1.00 0.00 H new ATOM 0 HA ALA A 17 14.747 -4.399 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.333 -4.461 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.521 -3.586 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.286 -2.682 9.319 1.00 0.00 H new ATOM 263 N TYR A 18 16.232 -4.833 9.367 1.00 0.00 N ATOM 264 CA TYR A 18 17.211 -5.079 8.301 1.00 0.00 C ATOM 265 C TYR A 18 16.659 -4.648 6.922 1.00 0.00 C ATOM 266 O TYR A 18 15.436 -4.675 6.729 1.00 0.00 O ATOM 267 CB TYR A 18 17.602 -6.564 8.291 1.00 0.00 C ATOM 268 CG TYR A 18 18.235 -7.050 9.583 1.00 0.00 C ATOM 269 CD1 TYR A 18 17.496 -7.842 10.485 1.00 0.00 C ATOM 270 CD2 TYR A 18 19.567 -6.701 9.885 1.00 0.00 C ATOM 271 CE1 TYR A 18 18.087 -8.282 11.687 1.00 0.00 C ATOM 272 CE2 TYR A 18 20.160 -7.139 11.085 1.00 0.00 C ATOM 273 CZ TYR A 18 19.420 -7.931 11.991 1.00 0.00 C ATOM 274 OH TYR A 18 19.982 -8.361 13.154 1.00 0.00 O ATOM 0 H TYR A 18 15.833 -5.687 9.756 1.00 0.00 H new ATOM 0 HA TYR A 18 18.098 -4.478 8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.713 -7.161 8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.298 -6.739 7.470 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.476 -8.112 10.255 1.00 0.00 H new ATOM 0 HD2 TYR A 18 20.135 -6.096 9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 18 17.519 -8.889 12.376 1.00 0.00 H new ATOM 0 HE2 TYR A 18 21.181 -6.869 11.313 1.00 0.00 H new ATOM 0 HH TYR A 18 20.904 -8.035 13.212 1.00 0.00 H new ATOM 284 N PRO A 19 17.515 -4.282 5.943 1.00 0.00 N ATOM 285 CA PRO A 19 17.064 -3.872 4.611 1.00 0.00 C ATOM 286 C PRO A 19 16.275 -4.976 3.892 1.00 0.00 C ATOM 287 O PRO A 19 16.748 -6.112 3.772 1.00 0.00 O ATOM 288 CB PRO A 19 18.326 -3.477 3.833 1.00 0.00 C ATOM 289 CG PRO A 19 19.325 -3.129 4.934 1.00 0.00 C ATOM 290 CD PRO A 19 18.956 -4.101 6.052 1.00 0.00 C ATOM 0 HA PRO A 19 16.369 -3.036 4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.685 -4.295 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.143 -2.629 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.354 -3.266 4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.229 -2.091 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.481 -5.049 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.229 -3.700 7.028 1.00 0.00 H new ATOM 298 N LYS A 20 15.077 -4.650 3.394 1.00 0.00 N ATOM 299 CA LYS A 20 14.230 -5.576 2.626 1.00 0.00 C ATOM 300 C LYS A 20 14.652 -5.602 1.157 1.00 0.00 C ATOM 301 O LYS A 20 14.644 -4.565 0.500 1.00 0.00 O ATOM 302 CB LYS A 20 12.745 -5.197 2.795 1.00 0.00 C ATOM 303 CG LYS A 20 11.825 -6.008 1.868 1.00 0.00 C ATOM 304 CD LYS A 20 10.341 -5.844 2.226 1.00 0.00 C ATOM 305 CE LYS A 20 9.415 -6.496 1.182 1.00 0.00 C ATOM 306 NZ LYS A 20 9.651 -7.960 1.026 1.00 0.00 N ATOM 0 H LYS A 20 14.662 -3.726 3.513 1.00 0.00 H new ATOM 0 HA LYS A 20 14.361 -6.586 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.447 -5.359 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.618 -4.134 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.984 -5.693 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.095 -7.062 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.154 -6.289 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.104 -4.783 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.377 -6.330 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.560 -6.006 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.000 -8.342 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.632 -8.123 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.486 -8.437 1.935 1.00 0.00 H new ATOM 320 N LEU A 21 14.982 -6.783 0.637 1.00 0.00 N ATOM 321 CA LEU A 21 15.168 -7.012 -0.799 1.00 0.00 C ATOM 322 C LEU A 21 13.811 -7.325 -1.450 1.00 0.00 C ATOM 323 O LEU A 21 13.030 -8.116 -0.910 1.00 0.00 O ATOM 324 CB LEU A 21 16.168 -8.163 -1.019 1.00 0.00 C ATOM 325 CG LEU A 21 17.616 -7.825 -0.612 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.463 -9.097 -0.582 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.270 -6.849 -1.594 1.00 0.00 C ATOM 0 H LEU A 21 15.130 -7.618 1.205 1.00 0.00 H new ATOM 0 HA LEU A 21 15.575 -6.115 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.836 -9.032 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.154 -8.446 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 21 17.569 -7.364 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.484 -8.847 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.043 -9.797 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.467 -9.555 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.289 -6.637 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.289 -7.293 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.697 -5.922 -1.621 1.00 0.00 H new ATOM 339 N MET A 22 13.527 -6.723 -2.607 1.00 0.00 N ATOM 340 CA MET A 22 12.327 -6.992 -3.416 1.00 0.00 C ATOM 341 C MET A 22 12.548 -6.619 -4.895 1.00 0.00 C ATOM 342 O MET A 22 13.599 -6.089 -5.252 1.00 0.00 O ATOM 343 CB MET A 22 11.104 -6.291 -2.786 1.00 0.00 C ATOM 344 CG MET A 22 11.028 -4.772 -2.996 1.00 0.00 C ATOM 345 SD MET A 22 10.215 -4.205 -4.511 1.00 0.00 S ATOM 346 CE MET A 22 8.504 -4.738 -4.231 1.00 0.00 C ATOM 0 H MET A 22 14.137 -6.018 -3.021 1.00 0.00 H new ATOM 0 HA MET A 22 12.124 -8.063 -3.414 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.199 -6.742 -3.194 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.105 -6.492 -1.715 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.505 -4.336 -2.145 1.00 0.00 H new ATOM 0 HG3 MET A 22 12.043 -4.375 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.930 -4.616 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.494 -5.786 -3.933 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.059 -4.132 -3.442 1.00 0.00 H new ATOM 356 N GLU A 23 11.579 -6.907 -5.770 1.00 0.00 N ATOM 357 CA GLU A 23 11.646 -6.606 -7.207 1.00 0.00 C ATOM 358 C GLU A 23 10.504 -5.674 -7.644 1.00 0.00 C ATOM 359 O GLU A 23 9.323 -6.021 -7.552 1.00 0.00 O ATOM 360 CB GLU A 23 11.652 -7.906 -8.023 1.00 0.00 C ATOM 361 CG GLU A 23 13.002 -8.634 -7.931 1.00 0.00 C ATOM 362 CD GLU A 23 12.962 -10.059 -8.523 1.00 0.00 C ATOM 363 OE1 GLU A 23 13.684 -10.946 -8.006 1.00 0.00 O ATOM 364 OE2 GLU A 23 12.232 -10.308 -9.514 1.00 0.00 O ATOM 0 H GLU A 23 10.709 -7.364 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 23 12.579 -6.076 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.860 -8.563 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.431 -7.681 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.759 -8.050 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.308 -8.689 -6.886 1.00 0.00 H new ATOM 371 N ILE A 24 10.872 -4.491 -8.141 1.00 0.00 N ATOM 372 CA ILE A 24 9.963 -3.495 -8.714 1.00 0.00 C ATOM 373 C ILE A 24 9.696 -3.851 -10.180 1.00 0.00 C ATOM 374 O ILE A 24 10.580 -3.755 -11.034 1.00 0.00 O ATOM 375 CB ILE A 24 10.540 -2.068 -8.523 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.457 -1.714 -7.017 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.811 -1.019 -9.388 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.938 -0.312 -6.639 1.00 0.00 C ATOM 0 H ILE A 24 11.846 -4.189 -8.156 1.00 0.00 H new ATOM 0 HA ILE A 24 9.004 -3.504 -8.195 1.00 0.00 H new ATOM 0 HB ILE A 24 11.578 -2.055 -8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.422 -1.823 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.044 -2.443 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.252 -0.037 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.909 -1.284 -10.441 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.755 -0.994 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.836 -0.170 -5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.984 -0.197 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.337 0.432 -7.161 1.00 0.00 H new ATOM 390 N ASP A 25 8.461 -4.260 -10.469 1.00 0.00 N ATOM 391 CA ASP A 25 7.945 -4.437 -11.826 1.00 0.00 C ATOM 392 C ASP A 25 7.415 -3.099 -12.354 1.00 0.00 C ATOM 393 O ASP A 25 6.470 -2.537 -11.795 1.00 0.00 O ATOM 394 CB ASP A 25 6.856 -5.523 -11.804 1.00 0.00 C ATOM 395 CG ASP A 25 6.236 -5.848 -13.174 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.451 -6.822 -13.247 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.516 -5.135 -14.164 1.00 0.00 O ATOM 0 H ASP A 25 7.775 -4.483 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 25 8.737 -4.762 -12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.283 -6.436 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.062 -5.206 -11.128 1.00 0.00 H new ATOM 402 N GLN A 26 7.996 -2.579 -13.437 1.00 0.00 N ATOM 403 CA GLN A 26 7.592 -1.286 -14.000 1.00 0.00 C ATOM 404 C GLN A 26 6.183 -1.299 -14.632 1.00 0.00 C ATOM 405 O GLN A 26 5.622 -0.229 -14.885 1.00 0.00 O ATOM 406 CB GLN A 26 8.661 -0.748 -14.964 1.00 0.00 C ATOM 407 CG GLN A 26 10.059 -0.554 -14.333 1.00 0.00 C ATOM 408 CD GLN A 26 10.178 0.597 -13.327 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.215 1.120 -12.777 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.383 1.045 -13.046 1.00 0.00 N ATOM 0 H GLN A 26 8.753 -3.036 -13.946 1.00 0.00 H new ATOM 0 HA GLN A 26 7.517 -0.593 -13.162 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.749 -1.434 -15.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.322 0.207 -15.365 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.344 -1.480 -13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.780 -0.389 -15.134 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.200 0.626 -13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.500 1.811 -12.383 1.00 0.00 H new ATOM 419 N LYS A 27 5.576 -2.479 -14.848 1.00 0.00 N ATOM 420 CA LYS A 27 4.173 -2.631 -15.283 1.00 0.00 C ATOM 421 C LYS A 27 3.164 -2.585 -14.122 1.00 0.00 C ATOM 422 O LYS A 27 2.000 -2.256 -14.354 1.00 0.00 O ATOM 423 CB LYS A 27 3.995 -3.940 -16.082 1.00 0.00 C ATOM 424 CG LYS A 27 5.034 -4.202 -17.187 1.00 0.00 C ATOM 425 CD LYS A 27 5.158 -3.082 -18.230 1.00 0.00 C ATOM 426 CE LYS A 27 6.321 -3.426 -19.164 1.00 0.00 C ATOM 427 NZ LYS A 27 6.645 -2.318 -20.097 1.00 0.00 N ATOM 0 H LYS A 27 6.054 -3.371 -14.723 1.00 0.00 H new ATOM 0 HA LYS A 27 3.958 -1.773 -15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.019 -4.776 -15.382 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.004 -3.933 -16.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.008 -4.356 -16.722 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.775 -5.129 -17.698 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.232 -2.985 -18.796 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.334 -2.124 -17.740 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.202 -3.666 -18.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.071 -4.319 -19.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.677 -2.227 -20.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.236 -2.520 -21.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.249 -1.429 -19.731 1.00 0.00 H new ATOM 441 N LYS A 28 3.580 -2.898 -12.884 1.00 0.00 N ATOM 442 CA LYS A 28 2.719 -2.834 -11.682 1.00 0.00 C ATOM 443 C LYS A 28 2.506 -1.389 -11.205 1.00 0.00 C ATOM 444 O LYS A 28 3.431 -0.576 -11.312 1.00 0.00 O ATOM 445 CB LYS A 28 3.294 -3.689 -10.535 1.00 0.00 C ATOM 446 CG LYS A 28 2.975 -5.182 -10.703 1.00 0.00 C ATOM 447 CD LYS A 28 3.443 -6.028 -9.505 1.00 0.00 C ATOM 448 CE LYS A 28 2.633 -5.746 -8.227 1.00 0.00 C ATOM 449 NZ LYS A 28 2.992 -6.687 -7.134 1.00 0.00 N ATOM 0 H LYS A 28 4.531 -3.206 -12.683 1.00 0.00 H new ATOM 0 HA LYS A 28 1.750 -3.241 -11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.375 -3.554 -10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.890 -3.338 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.900 -5.307 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.451 -5.551 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.360 -7.085 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.497 -5.828 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.813 -4.722 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.568 -5.829 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.558 -6.367 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.643 -7.639 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.026 -6.714 -7.025 1.00 0.00 H new ATOM 463 N PRO A 29 1.337 -1.052 -10.630 1.00 0.00 N ATOM 464 CA PRO A 29 1.111 0.240 -9.985 1.00 0.00 C ATOM 465 C PRO A 29 1.951 0.375 -8.712 1.00 0.00 C ATOM 466 O PRO A 29 2.121 -0.584 -7.953 1.00 0.00 O ATOM 467 CB PRO A 29 -0.390 0.293 -9.676 1.00 0.00 C ATOM 468 CG PRO A 29 -0.789 -1.174 -9.543 1.00 0.00 C ATOM 469 CD PRO A 29 0.168 -1.909 -10.479 1.00 0.00 C ATOM 0 HA PRO A 29 1.411 1.067 -10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.590 0.846 -8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.945 0.787 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.687 -1.523 -8.515 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.828 -1.332 -9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.448 -2.878 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.302 -2.098 -11.444 1.00 0.00 H new ATOM 477 N LEU A 30 2.434 1.590 -8.444 1.00 0.00 N ATOM 478 CA LEU A 30 3.223 1.885 -7.244 1.00 0.00 C ATOM 479 C LEU A 30 2.432 1.633 -5.955 1.00 0.00 C ATOM 480 O LEU A 30 3.013 1.166 -4.984 1.00 0.00 O ATOM 481 CB LEU A 30 3.759 3.324 -7.318 1.00 0.00 C ATOM 482 CG LEU A 30 4.911 3.472 -8.330 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.103 4.943 -8.676 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.229 2.919 -7.781 1.00 0.00 C ATOM 0 H LEU A 30 2.290 2.397 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 30 4.070 1.200 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.947 3.997 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.105 3.631 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 30 4.642 2.900 -9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.919 5.045 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.185 5.337 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.343 5.501 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.014 3.043 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.501 3.459 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.112 1.860 -7.551 1.00 0.00 H new ATOM 496 N SER A 31 1.110 1.831 -5.955 1.00 0.00 N ATOM 497 CA SER A 31 0.236 1.507 -4.816 1.00 0.00 C ATOM 498 C SER A 31 0.309 0.023 -4.420 1.00 0.00 C ATOM 499 O SER A 31 0.410 -0.292 -3.233 1.00 0.00 O ATOM 500 CB SER A 31 -1.218 1.869 -5.153 1.00 0.00 C ATOM 501 OG SER A 31 -1.319 3.212 -5.604 1.00 0.00 O ATOM 0 H SER A 31 0.609 2.224 -6.752 1.00 0.00 H new ATOM 0 HA SER A 31 0.588 2.094 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.595 1.195 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.844 1.730 -4.272 1.00 0.00 H new ATOM 0 HG SER A 31 -2.254 3.417 -5.814 1.00 0.00 H new ATOM 507 N ALA A 32 0.322 -0.892 -5.399 1.00 0.00 N ATOM 508 CA ALA A 32 0.495 -2.326 -5.145 1.00 0.00 C ATOM 509 C ALA A 32 1.928 -2.662 -4.695 1.00 0.00 C ATOM 510 O ALA A 32 2.119 -3.424 -3.750 1.00 0.00 O ATOM 511 CB ALA A 32 0.109 -3.112 -6.403 1.00 0.00 C ATOM 0 H ALA A 32 0.213 -0.658 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.162 -2.615 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.236 -4.179 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.932 -2.909 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.748 -2.808 -7.232 1.00 0.00 H new ATOM 517 N ILE A 33 2.942 -2.055 -5.318 1.00 0.00 N ATOM 518 CA ILE A 33 4.348 -2.241 -4.931 1.00 0.00 C ATOM 519 C ILE A 33 4.574 -1.797 -3.477 1.00 0.00 C ATOM 520 O ILE A 33 5.125 -2.556 -2.685 1.00 0.00 O ATOM 521 CB ILE A 33 5.269 -1.504 -5.925 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.174 -2.164 -7.320 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.726 -1.500 -5.431 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.672 -1.267 -8.457 1.00 0.00 C ATOM 0 H ILE A 33 2.814 -1.420 -6.106 1.00 0.00 H new ATOM 0 HA ILE A 33 4.600 -3.301 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 33 4.938 -0.468 -5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.753 -3.087 -7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.137 -2.439 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.353 -0.974 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.782 -0.997 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.077 -2.526 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.576 -1.795 -9.406 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.077 -0.354 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.718 -1.012 -8.288 1.00 0.00 H new ATOM 536 N ILE A 34 4.088 -0.613 -3.095 1.00 0.00 N ATOM 537 CA ILE A 34 4.176 -0.079 -1.729 1.00 0.00 C ATOM 538 C ILE A 34 3.471 -1.015 -0.734 1.00 0.00 C ATOM 539 O ILE A 34 4.028 -1.282 0.331 1.00 0.00 O ATOM 540 CB ILE A 34 3.625 1.367 -1.689 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.572 2.329 -2.449 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.444 1.877 -0.248 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.879 3.615 -2.917 1.00 0.00 C ATOM 0 H ILE A 34 3.611 0.017 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 34 5.221 -0.033 -1.422 1.00 0.00 H new ATOM 0 HB ILE A 34 2.648 1.346 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.410 2.590 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.987 1.812 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.056 2.895 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.743 1.232 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.405 1.866 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.597 4.245 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.059 3.362 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.488 4.153 -2.053 1.00 0.00 H new ATOM 555 N LYS A 35 2.310 -1.590 -1.087 1.00 0.00 N ATOM 556 CA LYS A 35 1.646 -2.626 -0.280 1.00 0.00 C ATOM 557 C LYS A 35 2.528 -3.861 -0.070 1.00 0.00 C ATOM 558 O LYS A 35 2.621 -4.345 1.056 1.00 0.00 O ATOM 559 CB LYS A 35 0.305 -3.001 -0.930 1.00 0.00 C ATOM 560 CG LYS A 35 -0.555 -3.883 -0.014 1.00 0.00 C ATOM 561 CD LYS A 35 -1.945 -4.145 -0.616 1.00 0.00 C ATOM 562 CE LYS A 35 -2.100 -5.512 -1.300 1.00 0.00 C ATOM 563 NZ LYS A 35 -1.273 -5.665 -2.525 1.00 0.00 N ATOM 0 H LYS A 35 1.805 -1.350 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 35 1.463 -2.214 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.244 -2.092 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.491 -3.526 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.048 -4.833 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.664 -3.401 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.690 -4.063 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.165 -3.363 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.832 -6.295 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.148 -5.662 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.573 -6.516 -3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.394 -4.829 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.272 -5.757 -2.259 1.00 0.00 H new ATOM 577 N GLU A 36 3.223 -4.336 -1.104 1.00 0.00 N ATOM 578 CA GLU A 36 4.122 -5.489 -1.012 1.00 0.00 C ATOM 579 C GLU A 36 5.365 -5.200 -0.144 1.00 0.00 C ATOM 580 O GLU A 36 5.849 -6.092 0.556 1.00 0.00 O ATOM 581 CB GLU A 36 4.525 -5.916 -2.433 1.00 0.00 C ATOM 582 CG GLU A 36 3.639 -7.015 -3.038 1.00 0.00 C ATOM 583 CD GLU A 36 2.202 -6.580 -3.381 1.00 0.00 C ATOM 584 OE1 GLU A 36 1.366 -6.419 -2.459 1.00 0.00 O ATOM 585 OE2 GLU A 36 1.887 -6.479 -4.593 1.00 0.00 O ATOM 0 H GLU A 36 3.178 -3.928 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 36 3.592 -6.302 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.496 -5.042 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.557 -6.266 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.116 -7.386 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.592 -7.849 -2.338 1.00 0.00 H new ATOM 592 N VAL A 37 5.858 -3.955 -0.131 1.00 0.00 N ATOM 593 CA VAL A 37 6.919 -3.509 0.793 1.00 0.00 C ATOM 594 C VAL A 37 6.406 -3.465 2.235 1.00 0.00 C ATOM 595 O VAL A 37 7.013 -4.069 3.120 1.00 0.00 O ATOM 596 CB VAL A 37 7.492 -2.137 0.392 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.604 -1.689 1.344 1.00 0.00 C ATOM 598 CG2 VAL A 37 8.088 -2.182 -1.014 1.00 0.00 C ATOM 0 H VAL A 37 5.533 -3.222 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 37 7.725 -4.239 0.728 1.00 0.00 H new ATOM 0 HB VAL A 37 6.659 -1.435 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.983 -0.717 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.207 -1.613 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.414 -2.418 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.486 -1.200 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.891 -2.918 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.313 -2.459 -1.729 1.00 0.00 H new ATOM 608 N CYS A 38 5.277 -2.789 2.464 1.00 0.00 N ATOM 609 CA CYS A 38 4.674 -2.633 3.794 1.00 0.00 C ATOM 610 C CYS A 38 4.335 -3.988 4.438 1.00 0.00 C ATOM 611 O CYS A 38 4.670 -4.217 5.600 1.00 0.00 O ATOM 612 CB CYS A 38 3.424 -1.739 3.707 1.00 0.00 C ATOM 613 SG CYS A 38 3.859 -0.046 3.219 1.00 0.00 S ATOM 0 H CYS A 38 4.748 -2.328 1.723 1.00 0.00 H new ATOM 0 HA CYS A 38 5.410 -2.152 4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.723 -2.159 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.917 -1.723 4.672 1.00 0.00 H new ATOM 0 HG CYS A 38 4.042 0.001 1.933 1.00 0.00 H new ATOM 619 N ASP A 39 3.750 -4.919 3.679 1.00 0.00 N ATOM 620 CA ASP A 39 3.436 -6.281 4.136 1.00 0.00 C ATOM 621 C ASP A 39 4.688 -7.076 4.561 1.00 0.00 C ATOM 622 O ASP A 39 4.622 -7.897 5.478 1.00 0.00 O ATOM 623 CB ASP A 39 2.689 -7.014 3.012 1.00 0.00 C ATOM 624 CG ASP A 39 2.176 -8.402 3.437 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.527 -8.515 4.504 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.385 -9.378 2.678 1.00 0.00 O ATOM 0 H ASP A 39 3.475 -4.747 2.712 1.00 0.00 H new ATOM 0 HA ASP A 39 2.811 -6.204 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.846 -6.405 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.352 -7.125 2.154 1.00 0.00 H new ATOM 631 N GLY A 40 5.852 -6.786 3.965 1.00 0.00 N ATOM 632 CA GLY A 40 7.145 -7.367 4.350 1.00 0.00 C ATOM 633 C GLY A 40 7.603 -7.011 5.775 1.00 0.00 C ATOM 634 O GLY A 40 8.351 -7.778 6.384 1.00 0.00 O ATOM 0 H GLY A 40 5.923 -6.129 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.083 -8.452 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.905 -7.033 3.643 1.00 0.00 H new ATOM 638 N TRP A 41 7.107 -5.899 6.328 1.00 0.00 N ATOM 639 CA TRP A 41 7.276 -5.484 7.729 1.00 0.00 C ATOM 640 C TRP A 41 5.958 -5.503 8.534 1.00 0.00 C ATOM 641 O TRP A 41 5.889 -4.942 9.630 1.00 0.00 O ATOM 642 CB TRP A 41 7.982 -4.120 7.758 1.00 0.00 C ATOM 643 CG TRP A 41 9.403 -4.118 7.277 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.404 -4.875 7.786 1.00 0.00 C ATOM 645 CD2 TRP A 41 10.015 -3.314 6.219 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.583 -4.602 7.121 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.408 -3.626 6.167 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.543 -2.342 5.310 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.290 -2.994 5.283 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.422 -1.707 4.410 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.788 -2.026 4.400 1.00 0.00 C ATOM 0 H TRP A 41 6.552 -5.233 5.790 1.00 0.00 H new ATOM 0 HA TRP A 41 7.903 -6.216 8.238 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.409 -3.421 7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.962 -3.742 8.780 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.296 -5.586 8.592 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.471 -5.065 7.313 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.495 -2.082 5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.340 -3.247 5.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.040 -0.968 3.721 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.454 -1.526 3.712 1.00 0.00 H new ATOM 662 N SER A 42 4.905 -6.145 8.008 1.00 0.00 N ATOM 663 CA SER A 42 3.545 -6.198 8.585 1.00 0.00 C ATOM 664 C SER A 42 2.913 -4.816 8.859 1.00 0.00 C ATOM 665 O SER A 42 2.052 -4.676 9.733 1.00 0.00 O ATOM 666 CB SER A 42 3.494 -7.114 9.821 1.00 0.00 C ATOM 667 OG SER A 42 3.960 -8.422 9.518 1.00 0.00 O ATOM 0 H SER A 42 4.976 -6.664 7.133 1.00 0.00 H new ATOM 0 HA SER A 42 2.918 -6.639 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.101 -6.686 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.471 -7.168 10.194 1.00 0.00 H new ATOM 0 HG SER A 42 3.917 -8.979 10.323 1.00 0.00 H new ATOM 673 N LEU A 43 3.332 -3.781 8.123 1.00 0.00 N ATOM 674 CA LEU A 43 2.826 -2.410 8.236 1.00 0.00 C ATOM 675 C LEU A 43 1.409 -2.300 7.647 1.00 0.00 C ATOM 676 O LEU A 43 1.192 -2.548 6.457 1.00 0.00 O ATOM 677 CB LEU A 43 3.802 -1.442 7.538 1.00 0.00 C ATOM 678 CG LEU A 43 5.135 -1.244 8.287 1.00 0.00 C ATOM 679 CD1 LEU A 43 6.149 -0.568 7.369 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.976 -0.377 9.538 1.00 0.00 C ATOM 0 H LEU A 43 4.055 -3.878 7.410 1.00 0.00 H new ATOM 0 HA LEU A 43 2.760 -2.138 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.013 -1.815 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.316 -0.474 7.422 1.00 0.00 H new ATOM 0 HG LEU A 43 5.476 -2.234 8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.089 -0.431 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.318 -1.192 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.765 0.403 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.942 -0.267 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.600 0.606 9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.272 -0.851 10.222 1.00 0.00 H new ATOM 692 N ALA A 44 0.446 -1.911 8.485 1.00 0.00 N ATOM 693 CA ALA A 44 -0.926 -1.611 8.083 1.00 0.00 C ATOM 694 C ALA A 44 -1.036 -0.256 7.349 1.00 0.00 C ATOM 695 O ALA A 44 -0.138 0.588 7.425 1.00 0.00 O ATOM 696 CB ALA A 44 -1.815 -1.649 9.335 1.00 0.00 C ATOM 0 H ALA A 44 0.604 -1.794 9.486 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.262 -2.362 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.845 -1.427 9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.766 -2.640 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.465 -0.907 10.052 1.00 0.00 H new ATOM 702 N ASN A 45 -2.173 -0.038 6.677 1.00 0.00 N ATOM 703 CA ASN A 45 -2.547 1.226 6.027 1.00 0.00 C ATOM 704 C ASN A 45 -1.493 1.732 5.015 1.00 0.00 C ATOM 705 O ASN A 45 -1.050 2.880 5.078 1.00 0.00 O ATOM 706 CB ASN A 45 -2.949 2.274 7.089 1.00 0.00 C ATOM 707 CG ASN A 45 -3.946 1.764 8.116 1.00 0.00 C ATOM 708 OD1 ASN A 45 -3.627 1.543 9.276 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.182 1.538 7.727 1.00 0.00 N ATOM 0 H ASN A 45 -2.883 -0.762 6.566 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.425 1.037 5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.052 2.614 7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.374 3.142 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.868 1.180 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.454 1.720 6.761 1.00 0.00 H new ATOM 716 N HIS A 46 -1.106 0.889 4.048 1.00 0.00 N ATOM 717 CA HIS A 46 -0.126 1.225 2.996 1.00 0.00 C ATOM 718 C HIS A 46 -0.524 2.451 2.148 1.00 0.00 C ATOM 719 O HIS A 46 0.332 3.073 1.525 1.00 0.00 O ATOM 720 CB HIS A 46 0.092 0.002 2.096 1.00 0.00 C ATOM 721 CG HIS A 46 -1.108 -0.330 1.249 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.218 -1.074 1.659 1.00 0.00 N ATOM 723 CD2 HIS A 46 -1.333 0.147 -0.009 1.00 0.00 C ATOM 724 CE1 HIS A 46 -3.075 -1.049 0.625 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.572 -0.320 -0.386 1.00 0.00 N ATOM 0 H HIS A 46 -1.468 -0.061 3.970 1.00 0.00 H new ATOM 0 HA HIS A 46 0.801 1.499 3.500 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.948 0.184 1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.340 -0.859 2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.670 0.768 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.034 -1.545 0.608 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.030 -0.143 -1.280 1.00 0.00 H new ATOM 733 N GLU A 47 -1.800 2.854 2.175 1.00 0.00 N ATOM 734 CA GLU A 47 -2.320 4.111 1.608 1.00 0.00 C ATOM 735 C GLU A 47 -1.628 5.377 2.157 1.00 0.00 C ATOM 736 O GLU A 47 -1.716 6.446 1.551 1.00 0.00 O ATOM 737 CB GLU A 47 -3.822 4.227 1.935 1.00 0.00 C ATOM 738 CG GLU A 47 -4.709 3.061 1.469 1.00 0.00 C ATOM 739 CD GLU A 47 -4.754 2.861 -0.063 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.134 1.752 -0.511 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.457 3.808 -0.831 1.00 0.00 O ATOM 0 H GLU A 47 -2.532 2.292 2.610 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.125 4.063 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.931 4.330 3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.200 5.146 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.351 2.141 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.724 3.226 1.831 1.00 0.00 H new ATOM 748 N TYR A 48 -0.978 5.288 3.323 1.00 0.00 N ATOM 749 CA TYR A 48 -0.215 6.368 3.962 1.00 0.00 C ATOM 750 C TYR A 48 1.228 6.458 3.439 1.00 0.00 C ATOM 751 O TYR A 48 1.902 7.463 3.669 1.00 0.00 O ATOM 752 CB TYR A 48 -0.185 6.138 5.488 1.00 0.00 C ATOM 753 CG TYR A 48 -1.470 6.404 6.266 1.00 0.00 C ATOM 754 CD1 TYR A 48 -2.712 5.861 5.871 1.00 0.00 C ATOM 755 CD2 TYR A 48 -1.405 7.190 7.434 1.00 0.00 C ATOM 756 CE1 TYR A 48 -3.882 6.147 6.600 1.00 0.00 C ATOM 757 CE2 TYR A 48 -2.567 7.466 8.177 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.816 6.956 7.753 1.00 0.00 C ATOM 759 OH TYR A 48 -4.950 7.230 8.455 1.00 0.00 O ATOM 0 H TYR A 48 -0.968 4.427 3.870 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.713 7.307 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.108 5.103 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.599 6.768 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.765 5.221 5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.454 7.584 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.831 5.746 6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.505 8.068 9.072 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.730 7.799 9.222 1.00 0.00 H new ATOM 769 N PHE A 49 1.722 5.418 2.762 1.00 0.00 N ATOM 770 CA PHE A 49 3.130 5.245 2.409 1.00 0.00 C ATOM 771 C PHE A 49 3.489 5.643 0.972 1.00 0.00 C ATOM 772 O PHE A 49 2.651 5.700 0.071 1.00 0.00 O ATOM 773 CB PHE A 49 3.549 3.802 2.729 1.00 0.00 C ATOM 774 CG PHE A 49 3.714 3.550 4.215 1.00 0.00 C ATOM 775 CD1 PHE A 49 2.599 3.270 5.028 1.00 0.00 C ATOM 776 CD2 PHE A 49 4.994 3.631 4.793 1.00 0.00 C ATOM 777 CE1 PHE A 49 2.762 3.063 6.408 1.00 0.00 C ATOM 778 CE2 PHE A 49 5.155 3.428 6.174 1.00 0.00 C ATOM 779 CZ PHE A 49 4.043 3.142 6.983 1.00 0.00 C ATOM 0 H PHE A 49 1.134 4.651 2.435 1.00 0.00 H new ATOM 0 HA PHE A 49 3.700 5.947 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.802 3.115 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.488 3.581 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.614 3.214 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.853 3.849 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.904 2.843 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.139 3.492 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.171 2.983 8.044 1.00 0.00 H new ATOM 789 N ALA A 50 4.785 5.887 0.784 1.00 0.00 N ATOM 790 CA ALA A 50 5.476 6.121 -0.475 1.00 0.00 C ATOM 791 C ALA A 50 6.895 5.529 -0.409 1.00 0.00 C ATOM 792 O ALA A 50 7.504 5.437 0.662 1.00 0.00 O ATOM 793 CB ALA A 50 5.511 7.631 -0.755 1.00 0.00 C ATOM 0 H ALA A 50 5.427 5.929 1.575 1.00 0.00 H new ATOM 0 HA ALA A 50 4.947 5.629 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.027 7.814 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.492 8.013 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.038 8.139 0.053 1.00 0.00 H new ATOM 799 N LEU A 51 7.426 5.120 -1.561 1.00 0.00 N ATOM 800 CA LEU A 51 8.844 4.793 -1.701 1.00 0.00 C ATOM 801 C LEU A 51 9.638 6.079 -1.965 1.00 0.00 C ATOM 802 O LEU A 51 9.108 7.064 -2.485 1.00 0.00 O ATOM 803 CB LEU A 51 9.034 3.749 -2.816 1.00 0.00 C ATOM 804 CG LEU A 51 8.809 2.306 -2.334 1.00 0.00 C ATOM 805 CD1 LEU A 51 8.716 1.368 -3.538 1.00 0.00 C ATOM 806 CD2 LEU A 51 9.955 1.824 -1.438 1.00 0.00 C ATOM 0 H LEU A 51 6.888 5.006 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 51 9.223 4.351 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.343 3.966 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.042 3.838 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 51 7.882 2.295 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.557 0.347 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.882 1.671 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.643 1.417 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.760 0.801 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.891 1.858 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.030 2.470 -0.563 1.00 0.00 H new ATOM 818 N GLN A 52 10.921 6.062 -1.625 1.00 0.00 N ATOM 819 CA GLN A 52 11.834 7.194 -1.768 1.00 0.00 C ATOM 820 C GLN A 52 13.262 6.690 -2.014 1.00 0.00 C ATOM 821 O GLN A 52 13.627 5.612 -1.552 1.00 0.00 O ATOM 822 CB GLN A 52 11.704 8.052 -0.498 1.00 0.00 C ATOM 823 CG GLN A 52 12.552 9.328 -0.490 1.00 0.00 C ATOM 824 CD GLN A 52 12.434 10.097 0.819 1.00 0.00 C ATOM 825 OE1 GLN A 52 12.306 9.545 1.905 1.00 0.00 O ATOM 826 NE2 GLN A 52 12.523 11.404 0.773 1.00 0.00 N ATOM 0 H GLN A 52 11.370 5.236 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 52 11.584 7.811 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.657 8.328 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.981 7.444 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.596 9.068 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.244 9.971 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.630 11.877 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.485 11.948 1.635 1.00 0.00 H new ATOM 835 N HIS A 53 14.079 7.450 -2.739 1.00 0.00 N ATOM 836 CA HIS A 53 15.501 7.125 -2.942 1.00 0.00 C ATOM 837 C HIS A 53 16.326 7.235 -1.646 1.00 0.00 C ATOM 838 O HIS A 53 16.020 8.042 -0.762 1.00 0.00 O ATOM 839 CB HIS A 53 16.093 7.995 -4.061 1.00 0.00 C ATOM 840 CG HIS A 53 15.829 7.461 -5.448 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.585 6.474 -6.086 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.824 7.848 -6.283 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.021 6.296 -7.293 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.961 7.111 -7.439 1.00 0.00 N ATOM 0 H HIS A 53 13.782 8.308 -3.204 1.00 0.00 H new ATOM 0 HA HIS A 53 15.555 6.080 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.681 9.001 -3.984 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.170 8.080 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.066 8.590 -6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.369 5.598 -8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.362 7.173 -8.263 1.00 0.00 H new ATOM 852 N ALA A 54 17.393 6.435 -1.551 1.00 0.00 N ATOM 853 CA ALA A 54 18.371 6.472 -0.457 1.00 0.00 C ATOM 854 C ALA A 54 19.848 6.446 -0.925 1.00 0.00 C ATOM 855 O ALA A 54 20.751 6.631 -0.107 1.00 0.00 O ATOM 856 CB ALA A 54 18.043 5.334 0.517 1.00 0.00 C ATOM 0 H ALA A 54 17.607 5.725 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 54 18.281 7.434 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.758 5.342 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 54 17.036 5.471 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.102 4.379 -0.006 1.00 0.00 H new ATOM 862 N ASP A 55 20.118 6.268 -2.226 1.00 0.00 N ATOM 863 CA ASP A 55 21.446 6.432 -2.845 1.00 0.00 C ATOM 864 C ASP A 55 21.846 7.921 -2.957 1.00 0.00 C ATOM 865 O ASP A 55 21.862 8.507 -4.042 1.00 0.00 O ATOM 866 CB ASP A 55 21.486 5.707 -4.207 1.00 0.00 C ATOM 867 CG ASP A 55 21.602 4.180 -4.085 1.00 0.00 C ATOM 868 OD1 ASP A 55 20.951 3.459 -4.876 1.00 0.00 O ATOM 869 OD2 ASP A 55 22.397 3.698 -3.245 1.00 0.00 O ATOM 0 H ASP A 55 19.400 5.998 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 55 22.191 5.970 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.583 5.951 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.330 6.083 -4.785 1.00 0.00 H new ATOM 874 N SER A 56 22.155 8.535 -1.807 1.00 0.00 N ATOM 875 CA SER A 56 22.445 9.967 -1.566 1.00 0.00 C ATOM 876 C SER A 56 21.290 10.938 -1.867 1.00 0.00 C ATOM 877 O SER A 56 20.985 11.801 -1.041 1.00 0.00 O ATOM 878 CB SER A 56 23.734 10.416 -2.270 1.00 0.00 C ATOM 879 OG SER A 56 24.847 9.639 -1.849 1.00 0.00 O ATOM 0 H SER A 56 22.215 8.000 -0.941 1.00 0.00 H new ATOM 0 HA SER A 56 22.587 10.025 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.612 10.326 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.920 11.469 -2.057 1.00 0.00 H new ATOM 0 HG SER A 56 25.654 9.945 -2.314 1.00 0.00 H new ATOM 885 N SER A 57 20.616 10.797 -3.009 1.00 0.00 N ATOM 886 CA SER A 57 19.369 11.497 -3.345 1.00 0.00 C ATOM 887 C SER A 57 18.181 10.955 -2.537 1.00 0.00 C ATOM 888 O SER A 57 18.142 9.769 -2.205 1.00 0.00 O ATOM 889 CB SER A 57 19.066 11.358 -4.842 1.00 0.00 C ATOM 890 OG SER A 57 20.139 11.850 -5.634 1.00 0.00 O ATOM 0 H SER A 57 20.931 10.173 -3.752 1.00 0.00 H new ATOM 0 HA SER A 57 19.509 12.548 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.884 10.311 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.154 11.904 -5.083 1.00 0.00 H new ATOM 0 HG SER A 57 19.919 11.747 -6.583 1.00 0.00 H new ATOM 896 N ASN A 58 17.188 11.807 -2.261 1.00 0.00 N ATOM 897 CA ASN A 58 15.979 11.489 -1.484 1.00 0.00 C ATOM 898 C ASN A 58 14.684 11.924 -2.203 1.00 0.00 C ATOM 899 O ASN A 58 13.723 12.365 -1.572 1.00 0.00 O ATOM 900 CB ASN A 58 16.118 12.032 -0.047 1.00 0.00 C ATOM 901 CG ASN A 58 17.260 11.436 0.763 1.00 0.00 C ATOM 902 OD1 ASN A 58 18.029 12.145 1.397 1.00 0.00 O ATOM 903 ND2 ASN A 58 17.416 10.129 0.796 1.00 0.00 N ATOM 0 H ASN A 58 17.202 12.775 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 58 15.886 10.406 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.253 13.112 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.184 11.851 0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.171 9.719 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.782 9.526 0.272 1.00 0.00 H new ATOM 910 N PHE A 59 14.637 11.792 -3.532 1.00 0.00 N ATOM 911 CA PHE A 59 13.408 11.995 -4.309 1.00 0.00 C ATOM 912 C PHE A 59 12.358 10.925 -3.965 1.00 0.00 C ATOM 913 O PHE A 59 12.680 9.734 -3.913 1.00 0.00 O ATOM 914 CB PHE A 59 13.714 11.964 -5.816 1.00 0.00 C ATOM 915 CG PHE A 59 14.885 12.823 -6.265 1.00 0.00 C ATOM 916 CD1 PHE A 59 14.899 14.206 -5.998 1.00 0.00 C ATOM 917 CD2 PHE A 59 15.964 12.235 -6.954 1.00 0.00 C ATOM 918 CE1 PHE A 59 15.991 14.993 -6.408 1.00 0.00 C ATOM 919 CE2 PHE A 59 17.051 13.024 -7.369 1.00 0.00 C ATOM 920 CZ PHE A 59 17.067 14.402 -7.093 1.00 0.00 C ATOM 0 H PHE A 59 15.447 11.542 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 59 13.003 12.973 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.910 10.932 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.823 12.284 -6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 59 14.070 14.663 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.956 11.176 -7.164 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.003 16.052 -6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.875 12.571 -7.900 1.00 0.00 H new ATOM 0 HZ PHE A 59 17.905 15.006 -7.407 1.00 0.00 H new ATOM 930 N TYR A 60 11.102 11.328 -3.753 1.00 0.00 N ATOM 931 CA TYR A 60 9.976 10.394 -3.634 1.00 0.00 C ATOM 932 C TYR A 60 9.705 9.707 -4.985 1.00 0.00 C ATOM 933 O TYR A 60 9.839 10.327 -6.043 1.00 0.00 O ATOM 934 CB TYR A 60 8.716 11.124 -3.145 1.00 0.00 C ATOM 935 CG TYR A 60 8.801 11.652 -1.724 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.495 10.800 -0.644 1.00 0.00 C ATOM 937 CD2 TYR A 60 9.150 12.996 -1.482 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.532 11.293 0.675 1.00 0.00 C ATOM 939 CE2 TYR A 60 9.198 13.489 -0.161 1.00 0.00 C ATOM 940 CZ TYR A 60 8.892 12.635 0.920 1.00 0.00 C ATOM 941 OH TYR A 60 8.918 13.105 2.199 1.00 0.00 O ATOM 0 H TYR A 60 10.836 12.308 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 60 10.239 9.632 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.512 11.958 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.868 10.443 -3.215 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.232 9.769 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.381 13.650 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.284 10.642 1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.468 14.518 0.023 1.00 0.00 H new ATOM 0 HH TYR A 60 9.187 14.047 2.196 1.00 0.00 H new ATOM 951 N ILE A 61 9.311 8.433 -4.966 1.00 0.00 N ATOM 952 CA ILE A 61 8.974 7.670 -6.174 1.00 0.00 C ATOM 953 C ILE A 61 7.553 8.012 -6.655 1.00 0.00 C ATOM 954 O ILE A 61 6.616 8.136 -5.865 1.00 0.00 O ATOM 955 CB ILE A 61 9.198 6.157 -5.952 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.645 5.828 -5.515 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.847 5.347 -7.211 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.761 6.370 -6.420 1.00 0.00 C ATOM 0 H ILE A 61 9.215 7.895 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 61 9.649 7.961 -6.978 1.00 0.00 H new ATOM 0 HB ILE A 61 8.528 5.871 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.798 6.220 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.748 4.745 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.016 4.287 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.800 5.507 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.476 5.672 -8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.731 6.079 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.647 5.959 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.698 7.457 -6.464 1.00 0.00 H new ATOM 970 N THR A 62 7.410 8.158 -7.972 1.00 0.00 N ATOM 971 CA THR A 62 6.199 8.570 -8.702 1.00 0.00 C ATOM 972 C THR A 62 6.156 7.852 -10.052 1.00 0.00 C ATOM 973 O THR A 62 7.137 7.220 -10.446 1.00 0.00 O ATOM 974 CB THR A 62 6.172 10.094 -8.953 1.00 0.00 C ATOM 975 OG1 THR A 62 7.157 10.450 -9.903 1.00 0.00 O ATOM 976 CG2 THR A 62 6.405 10.948 -7.708 1.00 0.00 C ATOM 0 H THR A 62 8.189 7.980 -8.606 1.00 0.00 H new ATOM 0 HA THR A 62 5.336 8.306 -8.091 1.00 0.00 H new ATOM 0 HB THR A 62 5.162 10.299 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.130 11.418 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.369 12.003 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.630 10.736 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.382 10.715 -7.285 1.00 0.00 H new ATOM 984 N GLU A 63 5.067 7.984 -10.815 1.00 0.00 N ATOM 985 CA GLU A 63 4.966 7.425 -12.177 1.00 0.00 C ATOM 986 C GLU A 63 6.052 7.946 -13.144 1.00 0.00 C ATOM 987 O GLU A 63 6.366 7.277 -14.132 1.00 0.00 O ATOM 988 CB GLU A 63 3.567 7.703 -12.751 1.00 0.00 C ATOM 989 CG GLU A 63 2.456 6.992 -11.962 1.00 0.00 C ATOM 990 CD GLU A 63 1.074 7.119 -12.637 1.00 0.00 C ATOM 991 OE1 GLU A 63 0.281 6.149 -12.572 1.00 0.00 O ATOM 992 OE2 GLU A 63 0.757 8.186 -13.218 1.00 0.00 O ATOM 0 H GLU A 63 4.229 8.480 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 63 5.132 6.352 -12.086 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.382 8.777 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.534 7.380 -13.791 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.709 5.937 -11.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.405 7.410 -10.957 1.00 0.00 H new ATOM 999 N LYS A 64 6.664 9.103 -12.848 1.00 0.00 N ATOM 1000 CA LYS A 64 7.848 9.631 -13.549 1.00 0.00 C ATOM 1001 C LYS A 64 9.165 9.165 -12.915 1.00 0.00 C ATOM 1002 O LYS A 64 10.057 8.713 -13.633 1.00 0.00 O ATOM 1003 CB LYS A 64 7.782 11.171 -13.597 1.00 0.00 C ATOM 1004 CG LYS A 64 6.543 11.743 -14.310 1.00 0.00 C ATOM 1005 CD LYS A 64 6.422 11.293 -15.778 1.00 0.00 C ATOM 1006 CE LYS A 64 5.312 12.039 -16.533 1.00 0.00 C ATOM 1007 NZ LYS A 64 3.950 11.673 -16.059 1.00 0.00 N ATOM 0 H LYS A 64 6.343 9.713 -12.097 1.00 0.00 H new ATOM 0 HA LYS A 64 7.833 9.233 -14.564 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.805 11.553 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.676 11.543 -14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.648 11.437 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.582 12.832 -14.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.374 11.456 -16.284 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.223 10.222 -15.811 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.457 13.113 -16.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.393 11.821 -17.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.239 12.204 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.798 10.653 -16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.860 11.905 -15.049 1.00 0.00 H new ATOM 1021 N ASN A 65 9.286 9.223 -11.588 1.00 0.00 N ATOM 1022 CA ASN A 65 10.547 8.986 -10.865 1.00 0.00 C ATOM 1023 C ASN A 65 10.901 7.496 -10.733 1.00 0.00 C ATOM 1024 O ASN A 65 12.077 7.157 -10.583 1.00 0.00 O ATOM 1025 CB ASN A 65 10.500 9.679 -9.490 1.00 0.00 C ATOM 1026 CG ASN A 65 10.484 11.200 -9.548 1.00 0.00 C ATOM 1027 OD1 ASN A 65 10.699 11.833 -10.573 1.00 0.00 O ATOM 1028 ND2 ASN A 65 10.249 11.840 -8.427 1.00 0.00 N ATOM 0 H ASN A 65 8.502 9.439 -10.972 1.00 0.00 H new ATOM 0 HA ASN A 65 11.348 9.424 -11.460 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.612 9.339 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.364 9.360 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.246 12.860 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.069 11.318 -7.570 1.00 0.00 H new ATOM 1035 N ARG A 66 9.922 6.589 -10.857 1.00 0.00 N ATOM 1036 CA ARG A 66 10.142 5.130 -10.890 1.00 0.00 C ATOM 1037 C ARG A 66 11.080 4.674 -12.014 1.00 0.00 C ATOM 1038 O ARG A 66 11.747 3.653 -11.879 1.00 0.00 O ATOM 1039 CB ARG A 66 8.786 4.405 -10.969 1.00 0.00 C ATOM 1040 CG ARG A 66 8.018 4.656 -12.283 1.00 0.00 C ATOM 1041 CD ARG A 66 6.665 3.935 -12.326 1.00 0.00 C ATOM 1042 NE ARG A 66 6.802 2.487 -12.087 1.00 0.00 N ATOM 1043 CZ ARG A 66 5.834 1.640 -11.809 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.574 1.942 -11.913 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.107 0.440 -11.402 1.00 0.00 N ATOM 0 H ARG A 66 8.939 6.849 -10.939 1.00 0.00 H new ATOM 0 HA ARG A 66 10.650 4.862 -9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.951 3.334 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.166 4.723 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.858 5.727 -12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.628 4.326 -13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.001 4.365 -11.576 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.197 4.099 -13.297 1.00 0.00 H new ATOM 0 HE ARG A 66 7.745 2.102 -12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.297 2.873 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.863 1.248 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.078 0.146 -11.295 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.351 -0.211 -11.189 1.00 0.00 H new ATOM 1059 N ASN A 67 11.162 5.443 -13.103 1.00 0.00 N ATOM 1060 CA ASN A 67 12.044 5.181 -14.246 1.00 0.00 C ATOM 1061 C ASN A 67 13.529 5.485 -13.947 1.00 0.00 C ATOM 1062 O ASN A 67 14.409 5.008 -14.662 1.00 0.00 O ATOM 1063 CB ASN A 67 11.538 5.991 -15.454 1.00 0.00 C ATOM 1064 CG ASN A 67 10.074 5.727 -15.766 1.00 0.00 C ATOM 1065 OD1 ASN A 67 9.696 4.681 -16.273 1.00 0.00 O ATOM 1066 ND2 ASN A 67 9.204 6.657 -15.442 1.00 0.00 N ATOM 0 H ASN A 67 10.602 6.288 -13.218 1.00 0.00 H new ATOM 0 HA ASN A 67 12.007 4.115 -14.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.677 7.054 -15.257 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.141 5.747 -16.328 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.210 6.507 -15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.523 7.529 -15.019 1.00 0.00 H new ATOM 1073 N GLU A 68 13.824 6.252 -12.889 1.00 0.00 N ATOM 1074 CA GLU A 68 15.191 6.503 -12.405 1.00 0.00 C ATOM 1075 C GLU A 68 15.752 5.337 -11.564 1.00 0.00 C ATOM 1076 O GLU A 68 16.959 5.273 -11.322 1.00 0.00 O ATOM 1077 CB GLU A 68 15.234 7.807 -11.586 1.00 0.00 C ATOM 1078 CG GLU A 68 14.686 9.041 -12.325 1.00 0.00 C ATOM 1079 CD GLU A 68 15.334 9.281 -13.705 1.00 0.00 C ATOM 1080 OE1 GLU A 68 14.607 9.642 -14.662 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.575 9.145 -13.840 1.00 0.00 O ATOM 0 H GLU A 68 13.109 6.724 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 68 15.825 6.597 -13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.663 7.665 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.265 8.003 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.610 8.927 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.840 9.923 -11.703 1.00 0.00 H new ATOM 1088 N ILE A 69 14.895 4.408 -11.122 1.00 0.00 N ATOM 1089 CA ILE A 69 15.290 3.188 -10.411 1.00 0.00 C ATOM 1090 C ILE A 69 15.977 2.220 -11.388 1.00 0.00 C ATOM 1091 O ILE A 69 15.449 1.927 -12.466 1.00 0.00 O ATOM 1092 CB ILE A 69 14.069 2.517 -9.735 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.318 3.498 -8.802 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.510 1.262 -8.961 1.00 0.00 C ATOM 1095 CD1 ILE A 69 12.024 2.922 -8.213 1.00 0.00 C ATOM 0 H ILE A 69 13.886 4.486 -11.252 1.00 0.00 H new ATOM 0 HA ILE A 69 15.994 3.454 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 69 13.375 2.221 -10.522 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.980 3.788 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.081 4.405 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.642 0.801 -8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.970 0.553 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.232 1.543 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.554 3.666 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.342 2.658 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.255 2.032 -7.628 1.00 0.00 H new ATOM 1107 N LYS A 70 17.131 1.685 -10.980 1.00 0.00 N ATOM 1108 CA LYS A 70 17.895 0.640 -11.683 1.00 0.00 C ATOM 1109 C LYS A 70 18.119 -0.587 -10.795 1.00 0.00 C ATOM 1110 O LYS A 70 17.947 -0.523 -9.576 1.00 0.00 O ATOM 1111 CB LYS A 70 19.227 1.224 -12.195 1.00 0.00 C ATOM 1112 CG LYS A 70 19.026 2.355 -13.219 1.00 0.00 C ATOM 1113 CD LYS A 70 20.374 2.868 -13.744 1.00 0.00 C ATOM 1114 CE LYS A 70 20.148 4.009 -14.744 1.00 0.00 C ATOM 1115 NZ LYS A 70 21.434 4.534 -15.273 1.00 0.00 N ATOM 0 H LYS A 70 17.582 1.978 -10.113 1.00 0.00 H new ATOM 0 HA LYS A 70 17.314 0.301 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.801 1.603 -11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.817 0.428 -12.650 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.421 1.994 -14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.476 3.175 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.988 3.217 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.920 2.056 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.532 3.653 -15.570 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.597 4.815 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.244 5.304 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.011 4.896 -14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.948 3.770 -15.757 1.00 0.00 H new ATOM 1129 N ASN A 71 18.523 -1.709 -11.387 1.00 0.00 N ATOM 1130 CA ASN A 71 18.813 -2.938 -10.644 1.00 0.00 C ATOM 1131 C ASN A 71 19.946 -2.709 -9.618 1.00 0.00 C ATOM 1132 O ASN A 71 21.051 -2.298 -9.981 1.00 0.00 O ATOM 1133 CB ASN A 71 19.133 -4.054 -11.652 1.00 0.00 C ATOM 1134 CG ASN A 71 19.063 -5.423 -11.005 1.00 0.00 C ATOM 1135 OD1 ASN A 71 17.988 -5.949 -10.760 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.184 -6.031 -10.691 1.00 0.00 N ATOM 0 H ASN A 71 18.659 -1.794 -12.394 1.00 0.00 H new ATOM 0 HA ASN A 71 17.944 -3.243 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.430 -4.007 -12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 71 20.129 -3.897 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.159 -6.946 -10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 71 21.079 -5.588 -10.897 1.00 0.00 H new ATOM 1143 N GLY A 72 19.662 -2.958 -8.337 1.00 0.00 N ATOM 1144 CA GLY A 72 20.556 -2.692 -7.202 1.00 0.00 C ATOM 1145 C GLY A 72 20.387 -1.317 -6.528 1.00 0.00 C ATOM 1146 O GLY A 72 21.193 -0.978 -5.659 1.00 0.00 O ATOM 0 H GLY A 72 18.772 -3.365 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.400 -3.466 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.586 -2.784 -7.545 1.00 0.00 H new ATOM 1150 N THR A 73 19.369 -0.523 -6.888 1.00 0.00 N ATOM 1151 CA THR A 73 19.073 0.773 -6.232 1.00 0.00 C ATOM 1152 C THR A 73 18.691 0.575 -4.762 1.00 0.00 C ATOM 1153 O THR A 73 17.861 -0.286 -4.450 1.00 0.00 O ATOM 1154 CB THR A 73 17.935 1.532 -6.942 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.308 1.812 -8.270 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.561 2.879 -6.318 1.00 0.00 C ATOM 0 H THR A 73 18.723 -0.755 -7.642 1.00 0.00 H new ATOM 0 HA THR A 73 19.986 1.365 -6.297 1.00 0.00 H new ATOM 0 HB THR A 73 17.075 0.868 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.469 0.972 -8.749 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.752 3.333 -6.890 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.236 2.726 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.428 3.539 -6.330 1.00 0.00 H new ATOM 1164 N ILE A 74 19.255 1.382 -3.860 1.00 0.00 N ATOM 1165 CA ILE A 74 18.826 1.460 -2.462 1.00 0.00 C ATOM 1166 C ILE A 74 17.754 2.551 -2.320 1.00 0.00 C ATOM 1167 O ILE A 74 17.971 3.725 -2.636 1.00 0.00 O ATOM 1168 CB ILE A 74 20.010 1.667 -1.494 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.142 0.646 -1.766 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.518 1.532 -0.039 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.418 0.924 -0.973 1.00 0.00 C ATOM 0 H ILE A 74 20.031 2.006 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 74 18.388 0.503 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 74 20.413 2.667 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.784 -0.355 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.377 0.651 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.355 1.678 0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.754 2.284 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.097 0.538 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.167 0.170 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.800 1.911 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.198 0.890 0.094 1.00 0.00 H new ATOM 1183 N LEU A 75 16.589 2.140 -1.832 1.00 0.00 N ATOM 1184 CA LEU A 75 15.424 2.959 -1.515 1.00 0.00 C ATOM 1185 C LEU A 75 15.190 2.995 0.007 1.00 0.00 C ATOM 1186 O LEU A 75 15.868 2.320 0.784 1.00 0.00 O ATOM 1187 CB LEU A 75 14.195 2.377 -2.249 1.00 0.00 C ATOM 1188 CG LEU A 75 14.310 2.263 -3.781 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.043 1.616 -4.336 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.477 3.624 -4.457 1.00 0.00 C ATOM 0 H LEU A 75 16.422 1.154 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 75 15.591 3.984 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.993 1.385 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.330 2.998 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 75 15.195 1.662 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.121 1.534 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.923 0.622 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.179 2.229 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.553 3.488 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.615 4.251 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.382 4.105 -4.087 1.00 0.00 H new ATOM 1202 N ARG A 76 14.182 3.752 0.434 1.00 0.00 N ATOM 1203 CA ARG A 76 13.627 3.768 1.791 1.00 0.00 C ATOM 1204 C ARG A 76 12.105 3.858 1.738 1.00 0.00 C ATOM 1205 O ARG A 76 11.541 4.495 0.846 1.00 0.00 O ATOM 1206 CB ARG A 76 14.270 4.884 2.636 1.00 0.00 C ATOM 1207 CG ARG A 76 13.884 6.305 2.190 1.00 0.00 C ATOM 1208 CD ARG A 76 14.757 7.381 2.853 1.00 0.00 C ATOM 1209 NE ARG A 76 14.631 7.377 4.325 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.705 7.972 5.059 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.754 8.701 4.549 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.723 7.844 6.355 1.00 0.00 N ATOM 0 H ARG A 76 13.704 4.405 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 76 13.872 2.831 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.980 4.750 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.354 4.782 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.977 6.381 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.838 6.488 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.800 7.219 2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.475 8.362 2.469 1.00 0.00 H new ATOM 0 HE ARG A 76 15.342 6.854 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.699 8.834 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.064 9.139 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.450 7.286 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.010 8.302 6.923 1.00 0.00 H new ATOM 1226 N LEU A 77 11.448 3.215 2.696 1.00 0.00 N ATOM 1227 CA LEU A 77 10.011 3.353 2.928 1.00 0.00 C ATOM 1228 C LEU A 77 9.744 4.574 3.822 1.00 0.00 C ATOM 1229 O LEU A 77 10.493 4.839 4.765 1.00 0.00 O ATOM 1230 CB LEU A 77 9.478 2.035 3.514 1.00 0.00 C ATOM 1231 CG LEU A 77 7.976 2.016 3.813 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.162 2.080 2.515 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.603 0.731 4.539 1.00 0.00 C ATOM 0 H LEU A 77 11.903 2.573 3.345 1.00 0.00 H new ATOM 0 HA LEU A 77 9.475 3.535 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.704 1.228 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.019 1.821 4.436 1.00 0.00 H new ATOM 0 HG LEU A 77 7.751 2.884 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.098 2.065 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.402 2.999 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.406 1.221 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.533 0.728 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.854 -0.126 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.155 0.670 5.477 1.00 0.00 H new ATOM 1245 N THR A 78 8.688 5.330 3.525 1.00 0.00 N ATOM 1246 CA THR A 78 8.349 6.576 4.227 1.00 0.00 C ATOM 1247 C THR A 78 6.851 6.882 4.114 1.00 0.00 C ATOM 1248 O THR A 78 6.208 6.478 3.144 1.00 0.00 O ATOM 1249 CB THR A 78 9.231 7.723 3.691 1.00 0.00 C ATOM 1250 OG1 THR A 78 8.920 8.924 4.360 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.119 7.970 2.180 1.00 0.00 C ATOM 0 H THR A 78 8.032 5.095 2.780 1.00 0.00 H new ATOM 0 HA THR A 78 8.556 6.463 5.291 1.00 0.00 H new ATOM 0 HB THR A 78 10.255 7.404 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.485 9.646 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.774 8.794 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.414 7.070 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.089 8.222 1.928 1.00 0.00 H new ATOM 1259 N THR A 79 6.253 7.565 5.095 1.00 0.00 N ATOM 1260 CA THR A 79 4.879 8.086 4.960 1.00 0.00 C ATOM 1261 C THR A 79 4.865 9.334 4.071 1.00 0.00 C ATOM 1262 O THR A 79 5.701 10.229 4.221 1.00 0.00 O ATOM 1263 CB THR A 79 4.203 8.362 6.314 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.024 9.137 7.166 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.840 7.067 7.043 1.00 0.00 C ATOM 0 H THR A 79 6.693 7.772 5.991 1.00 0.00 H new ATOM 0 HA THR A 79 4.290 7.303 4.482 1.00 0.00 H new ATOM 0 HB THR A 79 3.294 8.917 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.560 9.293 8.015 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.365 7.306 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.152 6.485 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.744 6.486 7.225 1.00 0.00 H new ATOM 1273 N SER A 80 3.920 9.406 3.129 1.00 0.00 N ATOM 1274 CA SER A 80 3.832 10.493 2.145 1.00 0.00 C ATOM 1275 C SER A 80 3.554 11.858 2.810 1.00 0.00 C ATOM 1276 O SER A 80 2.692 11.942 3.692 1.00 0.00 O ATOM 1277 CB SER A 80 2.764 10.169 1.094 1.00 0.00 C ATOM 1278 OG SER A 80 2.417 11.321 0.339 1.00 0.00 O ATOM 0 H SER A 80 3.186 8.705 3.026 1.00 0.00 H new ATOM 0 HA SER A 80 4.801 10.573 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.133 9.391 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.876 9.772 1.585 1.00 0.00 H new ATOM 0 HG SER A 80 1.736 11.084 -0.324 1.00 0.00 H new ATOM 1284 N PRO A 81 4.227 12.947 2.379 1.00 0.00 N ATOM 1285 CA PRO A 81 4.046 14.290 2.940 1.00 0.00 C ATOM 1286 C PRO A 81 2.681 14.928 2.606 1.00 0.00 C ATOM 1287 O PRO A 81 2.336 15.966 3.175 1.00 0.00 O ATOM 1288 CB PRO A 81 5.213 15.107 2.370 1.00 0.00 C ATOM 1289 CG PRO A 81 5.475 14.453 1.017 1.00 0.00 C ATOM 1290 CD PRO A 81 5.217 12.978 1.310 1.00 0.00 C ATOM 0 HA PRO A 81 4.047 14.256 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.952 16.160 2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.090 15.060 3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.808 14.836 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.495 14.626 0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.849 12.463 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.135 12.474 1.614 1.00 0.00 H new ATOM 1298 N ALA A 82 1.905 14.326 1.694 1.00 0.00 N ATOM 1299 CA ALA A 82 0.607 14.814 1.218 1.00 0.00 C ATOM 1300 C ALA A 82 -0.596 13.944 1.660 1.00 0.00 C ATOM 1301 O ALA A 82 -1.727 14.192 1.236 1.00 0.00 O ATOM 1302 CB ALA A 82 0.707 14.914 -0.310 1.00 0.00 C ATOM 0 H ALA A 82 2.178 13.449 1.250 1.00 0.00 H new ATOM 0 HA ALA A 82 0.403 15.785 1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.239 15.275 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.504 15.608 -0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.927 13.931 -0.725 1.00 0.00 H new ATOM 1308 N GLN A 83 -0.377 12.903 2.475 1.00 0.00 N ATOM 1309 CA GLN A 83 -1.397 11.883 2.763 1.00 0.00 C ATOM 1310 C GLN A 83 -2.532 12.351 3.700 1.00 0.00 C ATOM 1311 O GLN A 83 -3.675 11.925 3.534 1.00 0.00 O ATOM 1312 CB GLN A 83 -0.699 10.599 3.241 1.00 0.00 C ATOM 1313 CG GLN A 83 -0.182 10.633 4.688 1.00 0.00 C ATOM 1314 CD GLN A 83 -1.219 10.230 5.738 1.00 0.00 C ATOM 1315 OE1 GLN A 83 -2.234 9.607 5.457 1.00 0.00 O ATOM 1316 NE2 GLN A 83 -1.007 10.571 6.989 1.00 0.00 N ATOM 0 H GLN A 83 0.510 12.744 2.953 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.928 11.675 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.396 9.767 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.141 10.393 2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.678 9.968 4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.171 11.640 4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.166 11.090 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.683 10.316 7.709 1.00 0.00 H new ATOM 1325 N ASN A 84 -2.243 13.237 4.663 1.00 0.00 N ATOM 1326 CA ASN A 84 -3.241 13.821 5.575 1.00 0.00 C ATOM 1327 C ASN A 84 -4.100 14.903 4.886 1.00 0.00 C ATOM 1328 O ASN A 84 -5.312 14.976 5.102 1.00 0.00 O ATOM 1329 CB ASN A 84 -2.531 14.382 6.825 1.00 0.00 C ATOM 1330 CG ASN A 84 -1.479 15.439 6.517 1.00 0.00 C ATOM 1331 OD1 ASN A 84 -0.465 15.165 5.893 1.00 0.00 O ATOM 1332 ND2 ASN A 84 -1.684 16.676 6.909 1.00 0.00 N ATOM 0 H ASN A 84 -1.296 13.574 4.834 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.929 13.031 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.278 14.811 7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.059 13.559 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.999 17.400 6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.528 16.913 7.430 1.00 0.00 H new ATOM 1339 N ALA A 85 -3.459 15.720 4.046 1.00 0.00 N ATOM 1340 CA ALA A 85 -4.049 16.768 3.218 1.00 0.00 C ATOM 1341 C ALA A 85 -3.105 17.066 2.037 1.00 0.00 C ATOM 1342 O ALA A 85 -1.883 17.113 2.208 1.00 0.00 O ATOM 1343 CB ALA A 85 -4.282 18.022 4.071 1.00 0.00 C ATOM 0 H ALA A 85 -2.449 15.661 3.920 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.011 16.442 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.722 18.805 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.958 17.783 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.331 18.370 4.474 1.00 0.00 H new ATOM 1349 N GLN A 86 -3.661 17.255 0.839 1.00 0.00 N ATOM 1350 CA GLN A 86 -2.894 17.350 -0.406 1.00 0.00 C ATOM 1351 C GLN A 86 -2.002 18.605 -0.447 1.00 0.00 C ATOM 1352 O GLN A 86 -2.486 19.732 -0.316 1.00 0.00 O ATOM 1353 CB GLN A 86 -3.835 17.306 -1.626 1.00 0.00 C ATOM 1354 CG GLN A 86 -4.577 15.967 -1.810 1.00 0.00 C ATOM 1355 CD GLN A 86 -5.818 15.767 -0.932 1.00 0.00 C ATOM 1356 OE1 GLN A 86 -6.253 16.625 -0.173 1.00 0.00 O ATOM 1357 NE2 GLN A 86 -6.444 14.611 -0.996 1.00 0.00 N ATOM 0 H GLN A 86 -4.668 17.348 0.704 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.230 16.486 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.570 18.105 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.254 17.512 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.876 15.879 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.878 15.155 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.102 13.880 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.271 14.446 -0.422 1.00 0.00 H new ATOM 1366 N GLN A 87 -0.697 18.411 -0.675 1.00 0.00 N ATOM 1367 CA GLN A 87 0.293 19.494 -0.807 1.00 0.00 C ATOM 1368 C GLN A 87 0.192 20.241 -2.154 1.00 0.00 C ATOM 1369 O GLN A 87 0.682 21.366 -2.286 1.00 0.00 O ATOM 1370 CB GLN A 87 1.695 18.892 -0.578 1.00 0.00 C ATOM 1371 CG GLN A 87 2.823 19.928 -0.397 1.00 0.00 C ATOM 1372 CD GLN A 87 3.774 20.017 -1.594 1.00 0.00 C ATOM 1373 OE1 GLN A 87 4.824 19.389 -1.637 1.00 0.00 O ATOM 1374 NE2 GLN A 87 3.454 20.797 -2.603 1.00 0.00 N ATOM 0 H GLN A 87 -0.290 17.481 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 87 0.090 20.255 -0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.661 18.255 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.942 18.251 -1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.380 20.908 -0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.397 19.675 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.583 21.327 -2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.077 20.872 -3.407 1.00 0.00 H new ATOM 1383 N LEU A 88 -0.443 19.621 -3.152 1.00 0.00 N ATOM 1384 CA LEU A 88 -0.591 20.113 -4.525 1.00 0.00 C ATOM 1385 C LEU A 88 -1.929 19.646 -5.134 1.00 0.00 C ATOM 1386 O LEU A 88 -2.356 18.514 -4.899 1.00 0.00 O ATOM 1387 CB LEU A 88 0.621 19.630 -5.340 1.00 0.00 C ATOM 1388 CG LEU A 88 0.725 20.242 -6.747 1.00 0.00 C ATOM 1389 CD1 LEU A 88 1.014 21.746 -6.705 1.00 0.00 C ATOM 1390 CD2 LEU A 88 1.873 19.563 -7.481 1.00 0.00 C ATOM 0 H LEU A 88 -0.891 18.715 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.615 21.203 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.531 19.863 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.573 18.545 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.231 20.092 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.079 22.133 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.211 22.256 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.959 21.921 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.964 19.983 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.802 19.726 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.677 18.493 -7.553 1.00 0.00 H new ATOM 1402 N HIS A 89 -2.581 20.509 -5.922 1.00 0.00 N ATOM 1403 CA HIS A 89 -3.918 20.273 -6.506 1.00 0.00 C ATOM 1404 C HIS A 89 -4.023 20.609 -8.010 1.00 0.00 C ATOM 1405 O HIS A 89 -5.078 20.423 -8.618 1.00 0.00 O ATOM 1406 CB HIS A 89 -4.958 21.044 -5.674 1.00 0.00 C ATOM 1407 CG HIS A 89 -4.695 22.531 -5.594 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -4.862 23.449 -6.635 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -4.210 23.191 -4.502 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -4.480 24.641 -6.145 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -4.084 24.514 -4.866 1.00 0.00 N ATOM 0 H HIS A 89 -2.189 21.414 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.114 19.202 -6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -5.946 20.882 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.979 20.633 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.972 22.760 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.490 25.568 -6.699 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.748 25.268 -4.267 1.00 0.00 H new ATOM 1419 N GLU A 90 -2.930 21.068 -8.625 1.00 0.00 N ATOM 1420 CA GLU A 90 -2.821 21.449 -10.041 1.00 0.00 C ATOM 1421 C GLU A 90 -1.371 21.255 -10.523 1.00 0.00 C ATOM 1422 O GLU A 90 -0.438 21.360 -9.721 1.00 0.00 O ATOM 1423 CB GLU A 90 -3.296 22.909 -10.203 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.193 23.445 -11.639 1.00 0.00 C ATOM 1425 CD GLU A 90 -3.901 24.805 -11.811 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -3.252 25.773 -12.280 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.117 24.917 -11.515 1.00 0.00 O ATOM 0 H GLU A 90 -2.050 21.191 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.455 20.813 -10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.332 22.982 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.706 23.547 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.143 23.548 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.631 22.721 -12.326 1.00 0.00 H new ATOM 1434 N ARG A 91 -1.153 20.974 -11.817 1.00 0.00 N ATOM 1435 CA ARG A 91 0.192 20.799 -12.402 1.00 0.00 C ATOM 1436 C ARG A 91 0.934 22.135 -12.568 1.00 0.00 C ATOM 1437 O ARG A 91 1.082 22.666 -13.670 1.00 0.00 O ATOM 1438 CB ARG A 91 0.106 19.960 -13.695 1.00 0.00 C ATOM 1439 CG ARG A 91 1.459 19.614 -14.356 1.00 0.00 C ATOM 1440 CD ARG A 91 2.496 18.995 -13.404 1.00 0.00 C ATOM 1441 NE ARG A 91 3.690 18.528 -14.141 1.00 0.00 N ATOM 1442 CZ ARG A 91 4.911 19.042 -14.141 1.00 0.00 C ATOM 1443 NH1 ARG A 91 5.240 20.099 -13.458 1.00 0.00 N ATOM 1444 NH2 ARG A 91 5.851 18.487 -14.849 1.00 0.00 N ATOM 0 H ARG A 91 -1.908 20.860 -12.494 1.00 0.00 H new ATOM 0 HA ARG A 91 0.808 20.234 -11.702 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.417 19.030 -13.470 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.504 20.501 -14.418 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.280 18.921 -15.178 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.879 20.521 -14.790 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.792 19.731 -12.657 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.047 18.159 -12.867 1.00 0.00 H new ATOM 0 HE ARG A 91 3.556 17.703 -14.725 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.542 20.574 -12.886 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.196 20.453 -13.494 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.648 17.656 -15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.791 18.883 -14.849 1.00 0.00 H new ATOM 1458 N ILE A 92 1.399 22.677 -11.444 1.00 0.00 N ATOM 1459 CA ILE A 92 2.355 23.793 -11.379 1.00 0.00 C ATOM 1460 C ILE A 92 3.698 23.297 -11.958 1.00 0.00 C ATOM 1461 O ILE A 92 3.968 22.090 -11.944 1.00 0.00 O ATOM 1462 CB ILE A 92 2.450 24.324 -9.922 1.00 0.00 C ATOM 1463 CG1 ILE A 92 1.065 24.860 -9.470 1.00 0.00 C ATOM 1464 CG2 ILE A 92 3.523 25.419 -9.765 1.00 0.00 C ATOM 1465 CD1 ILE A 92 0.998 25.355 -8.019 1.00 0.00 C ATOM 0 H ILE A 92 1.115 22.345 -10.522 1.00 0.00 H new ATOM 0 HA ILE A 92 2.031 24.645 -11.977 1.00 0.00 H new ATOM 0 HB ILE A 92 2.750 23.491 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.777 25.678 -10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.327 24.069 -9.602 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.550 25.757 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.497 25.016 -10.040 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.282 26.260 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.010 25.709 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.249 24.537 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.707 26.171 -7.880 1.00 0.00 H new ATOM 1477 N GLN A 93 4.539 24.190 -12.493 1.00 0.00 N ATOM 1478 CA GLN A 93 5.781 23.830 -13.207 1.00 0.00 C ATOM 1479 C GLN A 93 6.743 22.950 -12.380 1.00 0.00 C ATOM 1480 O GLN A 93 7.409 22.073 -12.938 1.00 0.00 O ATOM 1481 CB GLN A 93 6.503 25.110 -13.673 1.00 0.00 C ATOM 1482 CG GLN A 93 5.702 25.968 -14.674 1.00 0.00 C ATOM 1483 CD GLN A 93 5.430 25.295 -16.023 1.00 0.00 C ATOM 1484 OE1 GLN A 93 6.027 24.296 -16.408 1.00 0.00 O ATOM 1485 NE2 GLN A 93 4.518 25.825 -16.811 1.00 0.00 N ATOM 0 H GLN A 93 4.379 25.196 -12.445 1.00 0.00 H new ATOM 0 HA GLN A 93 5.481 23.227 -14.064 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.738 25.718 -12.799 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.452 24.830 -14.131 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.749 26.237 -14.219 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.244 26.897 -14.850 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.008 26.656 -16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.322 25.404 -17.719 1.00 0.00 H new ATOM 1494 N SER A 94 6.751 23.117 -11.054 1.00 0.00 N ATOM 1495 CA SER A 94 7.418 22.240 -10.081 1.00 0.00 C ATOM 1496 C SER A 94 6.543 22.045 -8.833 1.00 0.00 C ATOM 1497 O SER A 94 5.744 22.917 -8.484 1.00 0.00 O ATOM 1498 CB SER A 94 8.797 22.802 -9.715 1.00 0.00 C ATOM 1499 OG SER A 94 9.474 21.915 -8.840 1.00 0.00 O ATOM 0 H SER A 94 6.273 23.900 -10.608 1.00 0.00 H new ATOM 0 HA SER A 94 7.563 21.260 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.387 22.953 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.686 23.777 -9.241 1.00 0.00 H new ATOM 0 HG SER A 94 10.353 22.285 -8.616 1.00 0.00 H new ATOM 1505 N SER A 95 6.677 20.898 -8.161 1.00 0.00 N ATOM 1506 CA SER A 95 5.839 20.495 -7.017 1.00 0.00 C ATOM 1507 C SER A 95 6.062 21.321 -5.740 1.00 0.00 C ATOM 1508 O SER A 95 5.222 21.288 -4.836 1.00 0.00 O ATOM 1509 CB SER A 95 6.083 19.015 -6.691 1.00 0.00 C ATOM 1510 OG SER A 95 5.926 18.197 -7.843 1.00 0.00 O ATOM 0 H SER A 95 7.386 20.205 -8.399 1.00 0.00 H new ATOM 0 HA SER A 95 4.811 20.676 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.088 18.891 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.388 18.692 -5.916 1.00 0.00 H new ATOM 0 HG SER A 95 6.089 17.261 -7.604 1.00 0.00 H new ATOM 1516 N SER A 96 7.175 22.054 -5.647 1.00 0.00 N ATOM 1517 CA SER A 96 7.562 22.888 -4.496 1.00 0.00 C ATOM 1518 C SER A 96 8.515 24.021 -4.911 1.00 0.00 C ATOM 1519 O SER A 96 9.168 23.956 -5.959 1.00 0.00 O ATOM 1520 CB SER A 96 8.195 22.013 -3.400 1.00 0.00 C ATOM 1521 OG SER A 96 9.353 21.335 -3.864 1.00 0.00 O ATOM 0 H SER A 96 7.862 22.087 -6.400 1.00 0.00 H new ATOM 0 HA SER A 96 6.661 23.355 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.458 22.636 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.464 21.284 -3.050 1.00 0.00 H new ATOM 0 HG SER A 96 10.139 21.656 -3.374 1.00 0.00 H new ATOM 1527 N MET A 97 8.598 25.079 -4.094 1.00 0.00 N ATOM 1528 CA MET A 97 9.475 26.241 -4.345 1.00 0.00 C ATOM 1529 C MET A 97 10.970 25.936 -4.124 1.00 0.00 C ATOM 1530 O MET A 97 11.829 26.581 -4.728 1.00 0.00 O ATOM 1531 CB MET A 97 9.046 27.424 -3.462 1.00 0.00 C ATOM 1532 CG MET A 97 7.630 27.916 -3.798 1.00 0.00 C ATOM 1533 SD MET A 97 7.058 29.344 -2.831 1.00 0.00 S ATOM 1534 CE MET A 97 8.100 30.662 -3.521 1.00 0.00 C ATOM 0 H MET A 97 8.057 25.158 -3.233 1.00 0.00 H new ATOM 0 HA MET A 97 9.360 26.496 -5.398 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.086 27.126 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 97 9.753 28.244 -3.588 1.00 0.00 H new ATOM 0 HG2 MET A 97 7.594 28.176 -4.856 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.931 27.093 -3.648 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.794 31.622 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.143 30.472 -3.267 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.989 30.684 -4.605 1.00 0.00 H new ATOM 1544 N ASP A 98 11.284 24.937 -3.292 1.00 0.00 N ATOM 1545 CA ASP A 98 12.632 24.422 -3.012 1.00 0.00 C ATOM 1546 C ASP A 98 12.625 22.886 -2.904 1.00 0.00 C ATOM 1547 O ASP A 98 11.633 22.288 -2.480 1.00 0.00 O ATOM 1548 CB ASP A 98 13.194 25.035 -1.717 1.00 0.00 C ATOM 1549 CG ASP A 98 13.350 26.562 -1.781 1.00 0.00 C ATOM 1550 OD1 ASP A 98 12.544 27.285 -1.145 1.00 0.00 O ATOM 1551 OD2 ASP A 98 14.314 27.041 -2.426 1.00 0.00 O ATOM 0 H ASP A 98 10.566 24.438 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 98 13.274 24.709 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.535 24.779 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.164 24.587 -1.503 1.00 0.00 H new ATOM 1556 N ALA A 99 13.740 22.243 -3.264 1.00 0.00 N ATOM 1557 CA ALA A 99 13.889 20.780 -3.247 1.00 0.00 C ATOM 1558 C ALA A 99 14.151 20.177 -1.845 1.00 0.00 C ATOM 1559 O ALA A 99 14.137 18.951 -1.686 1.00 0.00 O ATOM 1560 CB ALA A 99 15.015 20.419 -4.226 1.00 0.00 C ATOM 0 H ALA A 99 14.579 22.730 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 99 12.939 20.341 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 99 15.153 19.338 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 99 14.752 20.763 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 99 15.941 20.899 -3.909 1.00 0.00 H new ATOM 1566 N LYS A 100 14.420 21.013 -0.831 1.00 0.00 N ATOM 1567 CA LYS A 100 14.784 20.592 0.536 1.00 0.00 C ATOM 1568 C LYS A 100 13.623 19.903 1.269 1.00 0.00 C ATOM 1569 O LYS A 100 12.475 20.350 1.198 1.00 0.00 O ATOM 1570 CB LYS A 100 15.278 21.802 1.353 1.00 0.00 C ATOM 1571 CG LYS A 100 16.506 22.534 0.778 1.00 0.00 C ATOM 1572 CD LYS A 100 17.758 21.646 0.680 1.00 0.00 C ATOM 1573 CE LYS A 100 18.990 22.417 0.179 1.00 0.00 C ATOM 1574 NZ LYS A 100 19.503 23.393 1.180 1.00 0.00 N ATOM 0 H LYS A 100 14.390 22.027 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 100 15.586 19.860 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.460 22.517 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.517 21.464 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 100 16.261 22.914 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.731 23.398 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 100 17.974 21.219 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 100 17.557 20.813 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 100 19.780 21.709 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 100 18.734 22.945 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 20.363 23.848 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.779 24.117 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 19.726 22.896 2.066 1.00 0.00 H new ATOM 1588 N LEU A 101 13.939 18.842 2.014 1.00 0.00 N ATOM 1589 CA LEU A 101 13.022 18.181 2.953 1.00 0.00 C ATOM 1590 C LEU A 101 12.904 18.967 4.275 1.00 0.00 C ATOM 1591 O LEU A 101 13.775 19.769 4.619 1.00 0.00 O ATOM 1592 CB LEU A 101 13.484 16.729 3.201 1.00 0.00 C ATOM 1593 CG LEU A 101 13.542 15.836 1.943 1.00 0.00 C ATOM 1594 CD1 LEU A 101 14.070 14.453 2.319 1.00 0.00 C ATOM 1595 CD2 LEU A 101 12.168 15.644 1.295 1.00 0.00 C ATOM 0 H LEU A 101 14.861 18.406 1.983 1.00 0.00 H new ATOM 0 HA LEU A 101 12.027 18.159 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 101 14.474 16.752 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.811 16.268 3.924 1.00 0.00 H new ATOM 0 HG LEU A 101 14.198 16.340 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.110 13.825 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.070 14.548 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.407 13.998 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.266 15.008 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.492 15.174 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.767 16.613 0.999 1.00 0.00 H new ATOM 1607 N GLU A 102 11.828 18.725 5.027 1.00 0.00 N ATOM 1608 CA GLU A 102 11.491 19.423 6.280 1.00 0.00 C ATOM 1609 C GLU A 102 10.913 18.470 7.343 1.00 0.00 C ATOM 1610 O GLU A 102 10.464 17.363 7.032 1.00 0.00 O ATOM 1611 CB GLU A 102 10.491 20.564 5.991 1.00 0.00 C ATOM 1612 CG GLU A 102 11.086 21.784 5.269 1.00 0.00 C ATOM 1613 CD GLU A 102 12.175 22.531 6.073 1.00 0.00 C ATOM 1614 OE1 GLU A 102 12.909 23.350 5.468 1.00 0.00 O ATOM 1615 OE2 GLU A 102 12.284 22.350 7.312 1.00 0.00 O ATOM 0 H GLU A 102 11.141 18.014 4.776 1.00 0.00 H new ATOM 0 HA GLU A 102 12.416 19.835 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.674 20.167 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.058 20.895 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.511 21.458 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.281 22.481 5.035 1.00 0.00 H new ATOM 1622 N ALA A 103 10.889 18.912 8.606 1.00 0.00 N ATOM 1623 CA ALA A 103 10.314 18.187 9.747 1.00 0.00 C ATOM 1624 C ALA A 103 8.767 18.245 9.776 1.00 0.00 C ATOM 1625 O ALA A 103 8.148 18.690 10.746 1.00 0.00 O ATOM 1626 CB ALA A 103 10.975 18.706 11.034 1.00 0.00 C ATOM 0 H ALA A 103 11.283 19.815 8.872 1.00 0.00 H new ATOM 0 HA ALA A 103 10.532 17.123 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.561 18.179 11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.050 18.533 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.783 19.774 11.136 1.00 0.00 H new ATOM 1632 N LEU A 104 8.131 17.792 8.690 1.00 0.00 N ATOM 1633 CA LEU A 104 6.689 17.920 8.431 1.00 0.00 C ATOM 1634 C LEU A 104 5.786 17.181 9.433 1.00 0.00 C ATOM 1635 O LEU A 104 4.595 17.476 9.508 1.00 0.00 O ATOM 1636 CB LEU A 104 6.389 17.473 6.985 1.00 0.00 C ATOM 1637 CG LEU A 104 7.108 18.287 5.893 1.00 0.00 C ATOM 1638 CD1 LEU A 104 6.845 17.662 4.524 1.00 0.00 C ATOM 1639 CD2 LEU A 104 6.645 19.745 5.849 1.00 0.00 C ATOM 0 H LEU A 104 8.623 17.308 7.939 1.00 0.00 H new ATOM 0 HA LEU A 104 6.444 18.974 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.668 16.425 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.314 17.536 6.816 1.00 0.00 H new ATOM 0 HG LEU A 104 8.170 18.270 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.356 18.242 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.218 16.638 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.773 17.660 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.183 20.274 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.575 19.781 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.847 20.220 6.809 1.00 0.00 H new ATOM 1651 N LYS A 105 6.343 16.291 10.261 1.00 0.00 N ATOM 1652 CA LYS A 105 5.649 15.649 11.394 1.00 0.00 C ATOM 1653 C LYS A 105 5.075 16.650 12.412 1.00 0.00 C ATOM 1654 O LYS A 105 4.068 16.357 13.054 1.00 0.00 O ATOM 1655 CB LYS A 105 6.585 14.626 12.069 1.00 0.00 C ATOM 1656 CG LYS A 105 7.822 15.248 12.746 1.00 0.00 C ATOM 1657 CD LYS A 105 8.699 14.168 13.392 1.00 0.00 C ATOM 1658 CE LYS A 105 9.906 14.815 14.086 1.00 0.00 C ATOM 1659 NZ LYS A 105 10.765 13.800 14.749 1.00 0.00 N ATOM 0 H LYS A 105 7.312 15.987 10.164 1.00 0.00 H new ATOM 0 HA LYS A 105 4.782 15.129 10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.018 14.070 12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.918 13.907 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.404 15.801 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.504 15.964 13.504 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.115 13.599 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.040 13.464 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.494 15.368 13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.558 15.536 14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 11.570 14.273 15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.210 13.290 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.117 13.126 14.039 1.00 0.00 H new ATOM 1673 N ASP A 106 5.679 17.836 12.535 1.00 0.00 N ATOM 1674 CA ASP A 106 5.182 18.933 13.380 1.00 0.00 C ATOM 1675 C ASP A 106 3.979 19.677 12.755 1.00 0.00 C ATOM 1676 O ASP A 106 3.110 20.184 13.466 1.00 0.00 O ATOM 1677 CB ASP A 106 6.344 19.908 13.631 1.00 0.00 C ATOM 1678 CG ASP A 106 6.021 20.988 14.679 1.00 0.00 C ATOM 1679 OD1 ASP A 106 5.433 20.665 15.740 1.00 0.00 O ATOM 1680 OD2 ASP A 106 6.402 22.164 14.467 1.00 0.00 O ATOM 0 H ASP A 106 6.542 18.067 12.043 1.00 0.00 H new ATOM 0 HA ASP A 106 4.820 18.509 14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.217 19.344 13.959 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.611 20.392 12.692 1.00 0.00 H new ATOM 1685 N LEU A 107 3.923 19.727 11.419 1.00 0.00 N ATOM 1686 CA LEU A 107 2.864 20.373 10.631 1.00 0.00 C ATOM 1687 C LEU A 107 1.664 19.440 10.350 1.00 0.00 C ATOM 1688 O LEU A 107 0.537 19.912 10.190 1.00 0.00 O ATOM 1689 CB LEU A 107 3.511 20.891 9.329 1.00 0.00 C ATOM 1690 CG LEU A 107 2.573 21.659 8.375 1.00 0.00 C ATOM 1691 CD1 LEU A 107 2.009 22.934 9.007 1.00 0.00 C ATOM 1692 CD2 LEU A 107 3.344 22.058 7.116 1.00 0.00 C ATOM 0 H LEU A 107 4.642 19.302 10.833 1.00 0.00 H new ATOM 0 HA LEU A 107 2.440 21.199 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.343 21.543 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.930 20.041 8.790 1.00 0.00 H new ATOM 0 HG LEU A 107 1.742 20.993 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.356 23.436 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.440 22.676 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.829 23.599 9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.682 22.601 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.184 22.695 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.715 21.163 6.618 1.00 0.00 H new ATOM 1704 N ALA A 108 1.900 18.126 10.285 1.00 0.00 N ATOM 1705 CA ALA A 108 0.914 17.110 9.914 1.00 0.00 C ATOM 1706 C ALA A 108 -0.326 17.083 10.833 1.00 0.00 C ATOM 1707 O ALA A 108 -0.236 17.246 12.053 1.00 0.00 O ATOM 1708 CB ALA A 108 1.609 15.743 9.874 1.00 0.00 C ATOM 0 H ALA A 108 2.815 17.728 10.497 1.00 0.00 H new ATOM 0 HA ALA A 108 0.526 17.367 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.886 14.975 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.413 15.765 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.023 15.516 10.857 1.00 0.00 H new ATOM 1714 N SER A 109 -1.492 16.829 10.232 1.00 0.00 N ATOM 1715 CA SER A 109 -2.813 16.871 10.884 1.00 0.00 C ATOM 1716 C SER A 109 -3.099 15.690 11.830 1.00 0.00 C ATOM 1717 O SER A 109 -4.070 15.734 12.588 1.00 0.00 O ATOM 1718 CB SER A 109 -3.908 16.895 9.807 1.00 0.00 C ATOM 1719 OG SER A 109 -3.610 17.825 8.773 1.00 0.00 O ATOM 0 H SER A 109 -1.549 16.580 9.245 1.00 0.00 H new ATOM 0 HA SER A 109 -2.810 17.773 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.019 15.899 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.863 17.154 10.265 1.00 0.00 H new ATOM 0 HG SER A 109 -4.327 17.812 8.105 1.00 0.00 H new ATOM 1725 N LEU A 110 -2.293 14.619 11.764 1.00 0.00 N ATOM 1726 CA LEU A 110 -2.448 13.335 12.482 1.00 0.00 C ATOM 1727 C LEU A 110 -3.757 12.561 12.179 1.00 0.00 C ATOM 1728 O LEU A 110 -4.058 11.556 12.826 1.00 0.00 O ATOM 1729 CB LEU A 110 -2.184 13.513 13.996 1.00 0.00 C ATOM 1730 CG LEU A 110 -0.890 14.264 14.375 1.00 0.00 C ATOM 1731 CD1 LEU A 110 -0.772 14.343 15.898 1.00 0.00 C ATOM 1732 CD2 LEU A 110 0.369 13.580 13.836 1.00 0.00 C ATOM 0 H LEU A 110 -1.462 14.622 11.172 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.677 12.679 12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.030 14.045 14.432 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.156 12.526 14.458 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.959 15.255 13.927 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.142 14.873 16.165 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.632 14.876 16.302 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.741 13.336 16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.249 14.151 14.133 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.437 12.571 14.243 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.319 13.530 12.748 1.00 0.00 H new ATOM 1744 N SER A 111 -4.523 13.007 11.179 1.00 0.00 N ATOM 1745 CA SER A 111 -5.756 12.400 10.656 1.00 0.00 C ATOM 1746 C SER A 111 -6.044 12.949 9.247 1.00 0.00 C ATOM 1747 O SER A 111 -5.551 14.026 8.895 1.00 0.00 O ATOM 1748 CB SER A 111 -6.928 12.702 11.600 1.00 0.00 C ATOM 1749 OG SER A 111 -8.101 12.011 11.197 1.00 0.00 O ATOM 0 H SER A 111 -4.283 13.862 10.677 1.00 0.00 H new ATOM 0 HA SER A 111 -5.631 11.319 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.663 12.413 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.121 13.775 11.614 1.00 0.00 H new ATOM 0 HG SER A 111 -8.832 12.219 11.816 1.00 0.00 H new ATOM 1755 N ARG A 112 -6.806 12.225 8.419 1.00 0.00 N ATOM 1756 CA ARG A 112 -7.135 12.633 7.038 1.00 0.00 C ATOM 1757 C ARG A 112 -8.331 13.591 6.976 1.00 0.00 C ATOM 1758 O ARG A 112 -9.364 13.340 7.601 1.00 0.00 O ATOM 1759 CB ARG A 112 -7.374 11.401 6.151 1.00 0.00 C ATOM 1760 CG ARG A 112 -6.080 10.596 5.964 1.00 0.00 C ATOM 1761 CD ARG A 112 -6.241 9.484 4.925 1.00 0.00 C ATOM 1762 NE ARG A 112 -4.924 8.909 4.610 1.00 0.00 N ATOM 1763 CZ ARG A 112 -4.568 8.243 3.533 1.00 0.00 C ATOM 1764 NH1 ARG A 112 -5.408 7.864 2.611 1.00 0.00 N ATOM 1765 NH2 ARG A 112 -3.313 7.962 3.387 1.00 0.00 N ATOM 0 H ARG A 112 -7.218 11.331 8.686 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.274 13.181 6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.138 10.768 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.753 11.717 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.277 11.266 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.783 10.160 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -6.906 8.709 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -6.701 9.881 4.020 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.198 9.043 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.400 8.082 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -5.073 7.349 1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.639 8.256 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.998 7.447 2.565 1.00 0.00 H new ATOM 1779 N ASP A 113 -8.203 14.657 6.182 1.00 0.00 N ATOM 1780 CA ASP A 113 -9.304 15.575 5.821 1.00 0.00 C ATOM 1781 C ASP A 113 -10.302 14.962 4.815 1.00 0.00 C ATOM 1782 O ASP A 113 -9.866 14.334 3.821 1.00 0.00 O ATOM 1783 CB ASP A 113 -8.744 16.916 5.295 1.00 0.00 C ATOM 1784 CG ASP A 113 -8.079 17.841 6.343 1.00 0.00 C ATOM 1785 OD1 ASP A 113 -8.172 17.594 7.572 1.00 0.00 O ATOM 1786 OD2 ASP A 113 -7.499 18.875 5.928 1.00 0.00 O ATOM 1787 OXT ASP A 113 -11.526 15.120 5.024 1.00 0.00 O ATOM 0 H ASP A 113 -7.313 14.918 5.758 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.868 15.759 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.012 16.699 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -9.559 17.465 4.822 1.00 0.00 H new TER 1792 ASP A 113