USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 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 NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 96 SER OG : rot 104:sc= 0.466 USER MOD Set 1.2: A 129 HEM CMB :methyl -30:sc= -0.569 (180deg=-0.592) USER MOD Set 2.1: A 51 HIS : no HD1:sc= 1.13 K(o=1.5,f=-5.4!) USER MOD Set 2.2: A 80 THR OG1 : rot -49:sc= 0.373 USER MOD Set 3.1: A 45 SER OG : rot 21:sc= 0.605 USER MOD Set 3.2: A 58 THR OG1 : rot 72:sc= 1.63 USER MOD Single : A 21 MET CE :methyl 164:sc= -0.108 (180deg=-0.435) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -166:sc= -0.985 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.508 F(o=-1.1,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= 0.109 K(o=0.11,f=-3.5) USER MOD Single : A 41 ASN : amide:sc= -0.0732 K(o=-0.073,f=-2.2!) USER MOD Single : A 42 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0664 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 1.17 (180deg=1.11) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 74 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.6!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 150:sc= -0.318 (180deg=-1.49!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : A 105 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-10!) USER MOD Single : A 111 LYS NZ :NH3+ -150:sc= 1.29 (180deg=1.16) USER MOD Single : A 113 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.45) USER MOD Single : A 114 LYS NZ :NH3+ -108:sc= -0.62 (180deg=-1.18) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 74:sc= 1.07 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 65:sc= 0.396 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -0.0173 (180deg=-0.0173) USER MOD Single : A 129 HEM CMC :methyl 150:sc= -1.68 (180deg=-1.68) USER MOD Single : A 129 HEM CMD :methyl 150:sc= -0.0676 (180deg=-0.0676) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 10.956 1.156 1.529 1.00 14.68 N ATOM 2 CA MET A 21 11.685 0.392 0.542 1.00 14.32 C ATOM 3 C MET A 21 10.860 0.430 -0.736 1.00 13.51 C ATOM 4 O MET A 21 9.759 0.978 -0.720 1.00 13.68 O ATOM 5 CB MET A 21 11.918 -1.057 1.009 1.00 14.15 C ATOM 6 CG MET A 21 12.887 -1.841 0.141 1.00 14.65 C ATOM 7 SD MET A 21 13.254 -3.482 0.803 1.00 15.21 S ATOM 8 CE MET A 21 11.624 -4.233 0.820 1.00 15.63 C ATOM 0 HA MET A 21 12.674 0.820 0.380 1.00 14.32 H new ATOM 0 HB2 MET A 21 12.294 -1.041 2.032 1.00 14.15 H new ATOM 0 HB3 MET A 21 10.961 -1.579 1.029 1.00 14.15 H new ATOM 0 HG2 MET A 21 12.469 -1.944 -0.860 1.00 14.65 H new ATOM 0 HG3 MET A 21 13.815 -1.279 0.042 1.00 14.65 H new ATOM 0 HE1 MET A 21 11.722 -5.313 0.928 1.00 15.63 H new ATOM 0 HE2 MET A 21 11.049 -3.836 1.656 1.00 15.63 H new ATOM 0 HE3 MET A 21 11.109 -4.007 -0.114 1.00 15.63 H new ATOM 18 N ALA A 22 11.356 -0.129 -1.822 1.00 12.77 N ATOM 19 CA ALA A 22 10.592 -0.159 -3.056 1.00 12.10 C ATOM 20 C ALA A 22 10.479 -1.585 -3.580 1.00 11.21 C ATOM 21 O ALA A 22 11.467 -2.170 -4.019 1.00 11.30 O ATOM 22 CB ALA A 22 11.222 0.756 -4.105 1.00 12.20 C ATOM 0 H ALA A 22 12.276 -0.565 -1.877 1.00 12.77 H new ATOM 0 HA ALA A 22 9.588 0.209 -2.846 1.00 12.10 H new ATOM 0 HB1 ALA A 22 10.633 0.718 -5.022 1.00 12.20 H new ATOM 0 HB2 ALA A 22 11.244 1.779 -3.730 1.00 12.20 H new ATOM 0 HB3 ALA A 22 12.239 0.424 -4.313 1.00 12.20 H new ATOM 28 N GLU A 23 9.287 -2.159 -3.496 1.00 10.56 N ATOM 29 CA GLU A 23 9.057 -3.466 -4.087 1.00 9.86 C ATOM 30 C GLU A 23 8.678 -3.295 -5.546 1.00 9.83 C ATOM 31 O GLU A 23 9.281 -3.915 -6.424 1.00 10.22 O ATOM 32 CB GLU A 23 7.995 -4.263 -3.323 1.00 8.92 C ATOM 33 CG GLU A 23 6.717 -3.491 -3.021 1.00 9.14 C ATOM 34 CD GLU A 23 5.674 -4.356 -2.356 1.00 9.74 C ATOM 35 OE1 GLU A 23 5.994 -5.001 -1.339 1.00 10.29 O ATOM 36 OE2 GLU A 23 4.533 -4.391 -2.857 1.00 9.87 O ATOM 0 H GLU A 23 8.477 -1.747 -3.032 1.00 10.56 H new ATOM 0 HA GLU A 23 9.979 -4.044 -4.021 1.00 9.86 H new ATOM 0 HB2 GLU A 23 7.739 -5.150 -3.902 1.00 8.92 H new ATOM 0 HB3 GLU A 23 8.426 -4.609 -2.383 1.00 8.92 H new ATOM 0 HG2 GLU A 23 6.950 -2.644 -2.376 1.00 9.14 H new ATOM 0 HG3 GLU A 23 6.312 -3.084 -3.948 1.00 9.14 H new ATOM 43 N GLN A 24 7.675 -2.440 -5.779 1.00 9.65 N ATOM 44 CA GLN A 24 7.397 -1.866 -7.098 1.00 9.95 C ATOM 45 C GLN A 24 6.883 -2.896 -8.110 1.00 9.30 C ATOM 46 O GLN A 24 5.724 -2.845 -8.521 1.00 9.57 O ATOM 47 CB GLN A 24 8.664 -1.176 -7.608 1.00 10.36 C ATOM 48 CG GLN A 24 8.497 -0.474 -8.940 1.00 11.10 C ATOM 49 CD GLN A 24 9.783 0.177 -9.414 1.00 11.88 C ATOM 50 OE1 GLN A 24 10.881 -0.291 -9.107 1.00 12.37 O ATOM 51 NE2 GLN A 24 9.663 1.259 -10.168 1.00 12.20 N ATOM 0 H GLN A 24 7.031 -2.126 -5.053 1.00 9.65 H new ATOM 0 HA GLN A 24 6.590 -1.141 -6.988 1.00 9.95 H new ATOM 0 HB2 GLN A 24 8.992 -0.448 -6.865 1.00 10.36 H new ATOM 0 HB3 GLN A 24 9.457 -1.918 -7.698 1.00 10.36 H new ATOM 0 HG2 GLN A 24 8.160 -1.193 -9.687 1.00 11.10 H new ATOM 0 HG3 GLN A 24 7.719 0.285 -8.853 1.00 11.10 H new ATOM 0 HE21 GLN A 24 8.737 1.618 -10.402 1.00 12.20 H new ATOM 0 HE22 GLN A 24 10.496 1.734 -10.515 1.00 12.20 H new ATOM 60 N SER A 25 7.753 -3.813 -8.502 1.00 8.66 N ATOM 61 CA SER A 25 7.462 -4.784 -9.546 1.00 8.30 C ATOM 62 C SER A 25 7.541 -6.204 -8.987 1.00 7.40 C ATOM 63 O SER A 25 7.292 -7.184 -9.690 1.00 7.32 O ATOM 64 CB SER A 25 8.491 -4.626 -10.672 1.00 8.45 C ATOM 65 OG SER A 25 8.573 -3.282 -11.119 1.00 8.80 O ATOM 0 H SER A 25 8.687 -3.906 -8.103 1.00 8.66 H new ATOM 0 HA SER A 25 6.455 -4.611 -9.927 1.00 8.30 H new ATOM 0 HB2 SER A 25 9.469 -4.954 -10.320 1.00 8.45 H new ATOM 0 HB3 SER A 25 8.220 -5.272 -11.507 1.00 8.45 H new ATOM 0 HG SER A 25 9.239 -3.215 -11.835 1.00 8.80 H new ATOM 71 N ASP A 26 7.917 -6.301 -7.720 1.00 7.02 N ATOM 72 CA ASP A 26 8.181 -7.595 -7.103 1.00 6.51 C ATOM 73 C ASP A 26 6.881 -8.261 -6.662 1.00 5.72 C ATOM 74 O ASP A 26 6.051 -7.632 -6.012 1.00 5.93 O ATOM 75 CB ASP A 26 9.123 -7.436 -5.913 1.00 6.68 C ATOM 76 CG ASP A 26 10.165 -8.535 -5.848 1.00 7.05 C ATOM 77 OD1 ASP A 26 9.870 -9.594 -5.255 1.00 7.19 O ATOM 78 OD2 ASP A 26 11.285 -8.352 -6.375 1.00 7.49 O ATOM 0 H ASP A 26 8.046 -5.502 -7.099 1.00 7.02 H new ATOM 0 HA ASP A 26 8.659 -8.234 -7.845 1.00 6.51 H new ATOM 0 HB2 ASP A 26 9.622 -6.469 -5.975 1.00 6.68 H new ATOM 0 HB3 ASP A 26 8.542 -7.436 -4.991 1.00 6.68 H new ATOM 83 N GLU A 27 6.735 -9.533 -7.025 1.00 5.18 N ATOM 84 CA GLU A 27 5.459 -10.251 -6.940 1.00 4.82 C ATOM 85 C GLU A 27 4.829 -10.184 -5.550 1.00 3.91 C ATOM 86 O GLU A 27 3.683 -9.749 -5.402 1.00 4.18 O ATOM 87 CB GLU A 27 5.676 -11.712 -7.346 1.00 5.12 C ATOM 88 CG GLU A 27 4.391 -12.468 -7.636 1.00 5.86 C ATOM 89 CD GLU A 27 4.658 -13.856 -8.177 1.00 6.70 C ATOM 90 OE1 GLU A 27 4.995 -13.973 -9.375 1.00 7.03 O ATOM 91 OE2 GLU A 27 4.531 -14.833 -7.413 1.00 7.26 O ATOM 0 H GLU A 27 7.501 -10.100 -7.389 1.00 5.18 H new ATOM 0 HA GLU A 27 4.763 -9.763 -7.622 1.00 4.82 H new ATOM 0 HB2 GLU A 27 6.311 -11.742 -8.231 1.00 5.12 H new ATOM 0 HB3 GLU A 27 6.215 -12.224 -6.549 1.00 5.12 H new ATOM 0 HG2 GLU A 27 3.801 -12.543 -6.723 1.00 5.86 H new ATOM 0 HG3 GLU A 27 3.795 -11.907 -8.356 1.00 5.86 H new ATOM 98 N ALA A 28 5.578 -10.625 -4.541 1.00 3.15 N ATOM 99 CA ALA A 28 5.059 -10.736 -3.181 1.00 2.43 C ATOM 100 C ALA A 28 4.964 -9.379 -2.502 1.00 1.93 C ATOM 101 O ALA A 28 5.902 -8.930 -1.842 1.00 2.03 O ATOM 102 CB ALA A 28 5.919 -11.677 -2.360 1.00 2.71 C ATOM 0 H ALA A 28 6.551 -10.912 -4.642 1.00 3.15 H new ATOM 0 HA ALA A 28 4.050 -11.144 -3.247 1.00 2.43 H new ATOM 0 HB1 ALA A 28 5.518 -11.748 -1.349 1.00 2.71 H new ATOM 0 HB2 ALA A 28 5.919 -12.665 -2.821 1.00 2.71 H new ATOM 0 HB3 ALA A 28 6.939 -11.295 -2.319 1.00 2.71 H new ATOM 108 N VAL A 29 3.817 -8.748 -2.692 1.00 1.65 N ATOM 109 CA VAL A 29 3.498 -7.466 -2.069 1.00 1.29 C ATOM 110 C VAL A 29 3.674 -7.527 -0.559 1.00 1.04 C ATOM 111 O VAL A 29 3.190 -8.456 0.092 1.00 1.10 O ATOM 112 CB VAL A 29 2.036 -7.058 -2.377 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.689 -5.722 -1.735 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.805 -7.000 -3.879 1.00 1.82 C ATOM 0 H VAL A 29 3.072 -9.111 -3.287 1.00 1.65 H new ATOM 0 HA VAL A 29 4.186 -6.728 -2.483 1.00 1.29 H new ATOM 0 HB VAL A 29 1.380 -7.817 -1.950 1.00 1.34 H new ATOM 0 HG11 VAL A 29 0.656 -5.463 -1.969 1.00 1.70 H new ATOM 0 HG12 VAL A 29 1.808 -5.796 -0.654 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.354 -4.949 -2.121 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.773 -6.712 -4.077 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.478 -6.266 -4.323 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.998 -7.980 -4.315 1.00 1.82 H new ATOM 124 N LYS A 30 4.375 -6.550 -0.001 1.00 0.90 N ATOM 125 CA LYS A 30 4.478 -6.435 1.439 1.00 0.79 C ATOM 126 C LYS A 30 3.122 -6.046 2.016 1.00 0.63 C ATOM 127 O LYS A 30 2.436 -5.171 1.484 1.00 0.66 O ATOM 128 CB LYS A 30 5.563 -5.422 1.841 1.00 0.87 C ATOM 129 CG LYS A 30 5.636 -5.110 3.333 1.00 1.26 C ATOM 130 CD LYS A 30 6.096 -6.311 4.148 1.00 2.11 C ATOM 131 CE LYS A 30 6.114 -5.999 5.637 1.00 2.93 C ATOM 132 NZ LYS A 30 6.646 -7.133 6.439 1.00 3.71 N ATOM 0 H LYS A 30 4.877 -5.832 -0.523 1.00 0.90 H new ATOM 0 HA LYS A 30 4.773 -7.401 1.849 1.00 0.79 H new ATOM 0 HB2 LYS A 30 6.532 -5.803 1.517 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.389 -4.492 1.299 1.00 0.87 H new ATOM 0 HG2 LYS A 30 6.321 -4.278 3.496 1.00 1.26 H new ATOM 0 HG3 LYS A 30 4.655 -4.788 3.684 1.00 1.26 H new ATOM 0 HD2 LYS A 30 5.433 -7.155 3.960 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.093 -6.611 3.826 1.00 2.11 H new ATOM 0 HE2 LYS A 30 6.723 -5.113 5.814 1.00 2.93 H new ATOM 0 HE3 LYS A 30 5.103 -5.763 5.970 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 6.641 -6.878 7.447 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 6.050 -7.972 6.291 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.620 -7.343 6.140 1.00 3.71 H new ATOM 146 N TYR A 31 2.724 -6.708 3.089 1.00 0.56 N ATOM 147 CA TYR A 31 1.446 -6.416 3.707 1.00 0.49 C ATOM 148 C TYR A 31 1.634 -5.743 5.068 1.00 0.50 C ATOM 149 O TYR A 31 2.595 -6.025 5.783 1.00 0.64 O ATOM 150 CB TYR A 31 0.628 -7.699 3.868 1.00 0.56 C ATOM 151 CG TYR A 31 0.627 -8.599 2.650 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.002 -8.212 1.470 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.253 -9.840 2.685 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.006 -9.040 0.361 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.254 -10.673 1.584 1.00 0.94 C ATOM 156 CZ TYR A 31 0.623 -10.271 0.424 1.00 0.89 C ATOM 157 OH TYR A 31 0.622 -11.101 -0.676 1.00 1.06 O ATOM 0 H TYR A 31 3.263 -7.444 3.545 1.00 0.56 H new ATOM 0 HA TYR A 31 0.907 -5.728 3.055 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.018 -8.259 4.718 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.401 -7.431 4.107 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.494 -7.252 1.419 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.748 -10.158 3.591 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.497 -8.727 -0.548 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.746 -11.634 1.630 1.00 0.94 H new ATOM 0 HH TYR A 31 1.108 -11.925 -0.464 1.00 1.06 H new ATOM 167 N TYR A 32 0.728 -4.846 5.408 1.00 0.43 N ATOM 168 CA TYR A 32 0.674 -4.279 6.748 1.00 0.46 C ATOM 169 C TYR A 32 -0.619 -4.709 7.417 1.00 0.53 C ATOM 170 O TYR A 32 -1.651 -4.795 6.756 1.00 0.89 O ATOM 171 CB TYR A 32 0.730 -2.747 6.703 1.00 0.46 C ATOM 172 CG TYR A 32 2.012 -2.170 6.143 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.130 -1.982 6.951 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.096 -1.788 4.813 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.292 -1.427 6.445 1.00 1.20 C ATOM 176 CE2 TYR A 32 3.256 -1.240 4.298 1.00 1.03 C ATOM 177 CZ TYR A 32 4.349 -1.060 5.116 1.00 0.81 C ATOM 178 OH TYR A 32 5.499 -0.500 4.604 1.00 0.96 O ATOM 0 H TYR A 32 0.014 -4.491 4.772 1.00 0.43 H new ATOM 0 HA TYR A 32 1.535 -4.640 7.311 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -0.106 -2.385 6.104 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.587 -2.363 7.713 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.090 -2.274 7.990 1.00 1.09 H new ATOM 0 HD2 TYR A 32 1.240 -1.921 4.168 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.149 -1.282 7.086 1.00 1.20 H new ATOM 0 HE2 TYR A 32 3.305 -0.954 3.258 1.00 1.03 H new ATOM 0 HH TYR A 32 5.371 -0.301 3.653 1.00 0.96 H new ATOM 188 N THR A 33 -0.578 -5.002 8.702 1.00 0.48 N ATOM 189 CA THR A 33 -1.797 -5.327 9.428 1.00 0.57 C ATOM 190 C THR A 33 -2.667 -4.087 9.577 1.00 0.56 C ATOM 191 O THR A 33 -2.217 -2.973 9.275 1.00 0.60 O ATOM 192 CB THR A 33 -1.500 -5.873 10.837 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.479 -5.083 11.450 1.00 0.77 O ATOM 194 CG2 THR A 33 -1.075 -7.333 10.813 1.00 0.82 C ATOM 0 H THR A 33 0.274 -5.023 9.262 1.00 0.48 H new ATOM 0 HA THR A 33 -2.312 -6.095 8.851 1.00 0.57 H new ATOM 0 HB THR A 33 -2.422 -5.812 11.415 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.134 -5.550 12.240 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.877 -7.671 11.830 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.872 -7.937 10.379 1.00 0.82 H new ATOM 0 HG23 THR A 33 -0.171 -7.439 10.213 1.00 0.82 H new ATOM 202 N LEU A 34 -3.900 -4.270 10.028 1.00 0.60 N ATOM 203 CA LEU A 34 -4.702 -3.144 10.478 1.00 0.64 C ATOM 204 C LEU A 34 -3.855 -2.316 11.448 1.00 0.58 C ATOM 205 O LEU A 34 -3.750 -1.099 11.351 1.00 0.59 O ATOM 206 CB LEU A 34 -6.011 -3.663 11.108 1.00 0.86 C ATOM 207 CG LEU A 34 -6.989 -2.597 11.623 1.00 1.02 C ATOM 208 CD1 LEU A 34 -8.402 -3.148 11.685 1.00 1.23 C ATOM 209 CD2 LEU A 34 -6.570 -2.117 12.992 1.00 1.46 C ATOM 0 H LEU A 34 -4.362 -5.177 10.091 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.992 -2.499 9.649 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.529 -4.273 10.367 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.754 -4.321 11.938 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.970 -1.758 10.928 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -9.078 -2.376 12.053 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -8.715 -3.460 10.689 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.429 -4.005 12.359 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -7.273 -1.362 13.344 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -6.563 -2.958 13.686 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -5.571 -1.685 12.936 1.00 1.46 H new ATOM 221 N GLU A 35 -3.187 -3.062 12.340 1.00 0.65 N ATOM 222 CA GLU A 35 -2.402 -2.527 13.450 1.00 0.77 C ATOM 223 C GLU A 35 -1.306 -1.569 12.984 1.00 0.73 C ATOM 224 O GLU A 35 -1.041 -0.554 13.623 1.00 0.88 O ATOM 225 CB GLU A 35 -1.750 -3.683 14.213 1.00 0.94 C ATOM 226 CG GLU A 35 -2.723 -4.781 14.622 1.00 1.41 C ATOM 227 CD GLU A 35 -2.062 -5.895 15.407 1.00 1.91 C ATOM 228 OE1 GLU A 35 -0.917 -6.275 15.074 1.00 2.56 O ATOM 229 OE2 GLU A 35 -2.677 -6.393 16.371 1.00 2.34 O ATOM 0 H GLU A 35 -3.181 -4.081 12.304 1.00 0.65 H new ATOM 0 HA GLU A 35 -3.086 -1.969 14.089 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -0.967 -4.118 13.593 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -1.267 -3.288 15.107 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.522 -4.346 15.222 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -3.187 -5.199 13.729 1.00 1.41 H new ATOM 236 N GLU A 36 -0.647 -1.945 11.884 1.00 0.63 N ATOM 237 CA GLU A 36 0.511 -1.217 11.361 1.00 0.74 C ATOM 238 C GLU A 36 0.093 0.025 10.578 1.00 0.67 C ATOM 239 O GLU A 36 0.859 0.982 10.454 1.00 0.82 O ATOM 240 CB GLU A 36 1.339 -2.152 10.470 1.00 0.85 C ATOM 241 CG GLU A 36 2.008 -3.274 11.245 1.00 0.95 C ATOM 242 CD GLU A 36 2.553 -4.373 10.354 1.00 1.24 C ATOM 243 OE1 GLU A 36 1.774 -5.257 9.940 1.00 1.76 O ATOM 244 OE2 GLU A 36 3.764 -4.336 10.047 1.00 1.67 O ATOM 0 H GLU A 36 -0.902 -2.763 11.331 1.00 0.63 H new ATOM 0 HA GLU A 36 1.113 -0.881 12.205 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.693 -2.582 9.705 1.00 0.85 H new ATOM 0 HB3 GLU A 36 2.102 -1.570 9.953 1.00 0.85 H new ATOM 0 HG2 GLU A 36 2.822 -2.861 11.840 1.00 0.95 H new ATOM 0 HG3 GLU A 36 1.289 -3.704 11.943 1.00 0.95 H new ATOM 251 N ILE A 37 -1.121 -0.008 10.037 1.00 0.52 N ATOM 252 CA ILE A 37 -1.634 1.087 9.217 1.00 0.50 C ATOM 253 C ILE A 37 -2.452 2.055 10.078 1.00 0.53 C ATOM 254 O ILE A 37 -2.421 3.267 9.872 1.00 0.72 O ATOM 255 CB ILE A 37 -2.493 0.551 8.036 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.639 -0.340 7.121 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.108 1.704 7.248 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.388 -0.917 5.936 1.00 0.72 C ATOM 0 H ILE A 37 -1.772 -0.785 10.152 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.783 1.622 8.796 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.307 -0.049 8.443 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.794 0.242 6.753 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.229 -1.160 7.711 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.704 1.306 6.427 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.745 2.295 7.906 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.315 2.335 6.848 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.712 -1.533 5.343 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.217 -1.528 6.292 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.774 -0.105 5.320 1.00 0.72 H new ATOM 270 N GLN A 38 -3.139 1.501 11.071 1.00 0.48 N ATOM 271 CA GLN A 38 -3.982 2.275 11.988 1.00 0.52 C ATOM 272 C GLN A 38 -3.125 3.208 12.836 1.00 0.54 C ATOM 273 O GLN A 38 -3.572 4.251 13.307 1.00 0.64 O ATOM 274 CB GLN A 38 -4.755 1.309 12.890 1.00 0.56 C ATOM 275 CG GLN A 38 -6.084 1.857 13.389 1.00 0.78 C ATOM 276 CD GLN A 38 -7.017 2.258 12.264 1.00 0.72 C ATOM 277 OE1 GLN A 38 -6.916 3.503 11.827 1.00 1.11 O flip ATOM 278 NE2 GLN A 38 -7.818 1.453 11.789 1.00 0.74 N flip ATOM 0 H GLN A 38 -3.130 0.500 11.267 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.682 2.880 11.412 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.938 0.384 12.343 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -4.134 1.054 13.748 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.572 1.104 14.008 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -5.898 2.722 14.026 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -7.863 0.502 12.155 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.436 1.737 11.029 1.00 0.74 H new ATOM 287 N LYS A 39 -1.875 2.801 13.016 1.00 0.54 N ATOM 288 CA LYS A 39 -0.932 3.517 13.857 1.00 0.62 C ATOM 289 C LYS A 39 -0.301 4.669 13.086 1.00 0.58 C ATOM 290 O LYS A 39 0.529 5.404 13.618 1.00 0.66 O ATOM 291 CB LYS A 39 0.164 2.560 14.321 1.00 0.77 C ATOM 292 CG LYS A 39 0.725 2.904 15.692 1.00 1.28 C ATOM 293 CD LYS A 39 1.714 1.857 16.196 1.00 1.57 C ATOM 294 CE LYS A 39 3.077 1.979 15.527 1.00 2.08 C ATOM 295 NZ LYS A 39 4.037 0.950 16.019 1.00 2.52 N ATOM 0 H LYS A 39 -1.488 1.963 12.581 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.465 3.918 14.719 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.235 1.546 14.344 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.975 2.567 13.593 1.00 0.77 H new ATOM 0 HG2 LYS A 39 1.219 3.874 15.646 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.095 2.998 16.404 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.831 1.961 17.275 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.310 0.861 16.013 1.00 1.57 H new ATOM 0 HE2 LYS A 39 2.961 1.879 14.448 1.00 2.08 H new ATOM 0 HE3 LYS A 39 3.484 2.973 15.713 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 4.951 1.070 15.538 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 4.169 1.060 17.045 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 3.662 0.001 15.818 1.00 2.52 H new ATOM 309 N HIS A 40 -0.692 4.803 11.828 1.00 0.53 N ATOM 310 CA HIS A 40 -0.076 5.750 10.908 1.00 0.56 C ATOM 311 C HIS A 40 -1.140 6.578 10.207 1.00 0.65 C ATOM 312 O HIS A 40 -1.095 6.783 8.999 1.00 0.93 O ATOM 313 CB HIS A 40 0.763 4.979 9.895 1.00 0.56 C ATOM 314 CG HIS A 40 2.022 4.429 10.485 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.490 3.163 10.233 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.925 5.000 11.310 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.630 2.982 10.873 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.921 4.083 11.536 1.00 1.80 N ATOM 0 H HIS A 40 -1.448 4.257 11.414 1.00 0.53 H new ATOM 0 HA HIS A 40 0.566 6.435 11.462 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.170 4.160 9.487 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.014 5.636 9.063 1.00 0.56 H new ATOM 0 HD1 HIS A 40 2.029 2.470 9.643 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.873 5.998 11.719 1.00 1.39 H new ATOM 0 HE1 HIS A 40 4.225 2.081 10.856 1.00 1.59 H new ATOM 327 N ASN A 41 -2.121 7.031 10.983 1.00 0.56 N ATOM 328 CA ASN A 41 -3.252 7.794 10.436 1.00 0.64 C ATOM 329 C ASN A 41 -3.270 9.230 10.959 1.00 0.82 C ATOM 330 O ASN A 41 -4.309 9.890 10.956 1.00 1.20 O ATOM 331 CB ASN A 41 -4.572 7.124 10.821 1.00 0.69 C ATOM 332 CG ASN A 41 -4.984 7.374 12.265 1.00 1.20 C ATOM 333 OD1 ASN A 41 -4.162 7.326 13.186 1.00 1.76 O ATOM 334 ND2 ASN A 41 -6.256 7.682 12.460 1.00 1.74 N ATOM 0 H ASN A 41 -2.161 6.886 11.992 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.134 7.814 9.353 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.360 7.485 10.160 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.486 6.050 10.657 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.592 7.891 13.400 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.901 7.710 11.670 1.00 1.74 H new ATOM 341 N HIS A 42 -2.124 9.704 11.404 1.00 0.73 N ATOM 342 CA HIS A 42 -2.058 10.954 12.159 1.00 0.97 C ATOM 343 C HIS A 42 -0.745 11.678 11.893 1.00 1.06 C ATOM 344 O HIS A 42 0.107 11.141 11.214 1.00 1.54 O ATOM 345 CB HIS A 42 -2.198 10.655 13.657 1.00 1.05 C ATOM 346 CG HIS A 42 -1.302 9.547 14.136 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.008 9.410 13.724 1.00 0.81 N ATOM 348 CD2 HIS A 42 -1.545 8.500 14.958 1.00 1.14 C ATOM 349 CE1 HIS A 42 0.531 8.338 14.281 1.00 0.87 C ATOM 350 NE2 HIS A 42 -0.388 7.763 15.034 1.00 1.08 N ATOM 0 H HIS A 42 -1.223 9.249 11.260 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.875 11.601 11.838 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.976 11.560 14.222 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -3.234 10.392 13.871 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -2.476 8.284 15.461 1.00 1.14 H new ATOM 0 HE1 HIS A 42 1.543 7.987 14.145 1.00 0.87 H new ATOM 0 HE2 HIS A 42 -0.260 6.912 15.582 1.00 1.08 H new ATOM 359 N SER A 43 -0.580 12.852 12.518 1.00 1.01 N ATOM 360 CA SER A 43 0.586 13.737 12.337 1.00 1.12 C ATOM 361 C SER A 43 1.883 12.976 12.031 1.00 0.97 C ATOM 362 O SER A 43 2.549 13.219 11.027 1.00 1.05 O ATOM 363 CB SER A 43 0.763 14.553 13.614 1.00 1.34 C ATOM 364 OG SER A 43 -0.489 15.012 14.092 1.00 2.00 O ATOM 0 H SER A 43 -1.265 13.223 13.177 1.00 1.01 H new ATOM 0 HA SER A 43 0.392 14.374 11.474 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.248 13.944 14.377 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.418 15.403 13.421 1.00 1.34 H new ATOM 0 HG SER A 43 -0.356 15.532 14.912 1.00 2.00 H new ATOM 370 N LYS A 44 2.215 12.061 12.947 1.00 0.89 N ATOM 371 CA LYS A 44 3.478 11.307 12.931 1.00 0.89 C ATOM 372 C LYS A 44 3.735 10.587 11.607 1.00 0.77 C ATOM 373 O LYS A 44 4.885 10.312 11.265 1.00 0.94 O ATOM 374 CB LYS A 44 3.473 10.273 14.056 1.00 1.01 C ATOM 375 CG LYS A 44 3.350 10.879 15.446 1.00 1.53 C ATOM 376 CD LYS A 44 3.278 9.798 16.514 1.00 2.16 C ATOM 377 CE LYS A 44 3.181 10.392 17.911 1.00 2.63 C ATOM 378 NZ LYS A 44 3.068 9.346 18.962 1.00 3.26 N ATOM 0 H LYS A 44 1.609 11.818 13.731 1.00 0.89 H new ATOM 0 HA LYS A 44 4.276 12.037 13.068 1.00 0.89 H new ATOM 0 HB2 LYS A 44 2.646 9.581 13.897 1.00 1.01 H new ATOM 0 HB3 LYS A 44 4.392 9.689 14.004 1.00 1.01 H new ATOM 0 HG2 LYS A 44 4.204 11.528 15.639 1.00 1.53 H new ATOM 0 HG3 LYS A 44 2.458 11.503 15.496 1.00 1.53 H new ATOM 0 HD2 LYS A 44 2.413 9.161 16.329 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.162 9.163 16.449 1.00 2.16 H new ATOM 0 HE2 LYS A 44 4.061 11.005 18.105 1.00 2.63 H new ATOM 0 HE3 LYS A 44 2.315 11.052 17.964 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 3.005 9.798 19.896 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 2.214 8.776 18.794 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 3.906 8.731 18.931 1.00 3.26 H new ATOM 392 N SER A 45 2.661 10.268 10.890 1.00 0.63 N ATOM 393 CA SER A 45 2.731 9.542 9.629 1.00 0.62 C ATOM 394 C SER A 45 1.318 9.379 9.095 1.00 0.65 C ATOM 395 O SER A 45 0.424 8.973 9.840 1.00 1.05 O ATOM 396 CB SER A 45 3.377 8.162 9.812 1.00 0.65 C ATOM 397 OG SER A 45 3.835 7.625 8.580 1.00 1.31 O ATOM 0 H SER A 45 1.711 10.509 11.172 1.00 0.63 H new ATOM 0 HA SER A 45 3.348 10.104 8.928 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.213 8.242 10.507 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.655 7.479 10.260 1.00 0.65 H new ATOM 0 HG SER A 45 3.960 8.351 7.933 1.00 1.31 H new ATOM 403 N THR A 46 1.108 9.679 7.827 1.00 0.43 N ATOM 404 CA THR A 46 -0.224 9.619 7.260 1.00 0.42 C ATOM 405 C THR A 46 -0.305 8.564 6.157 1.00 0.39 C ATOM 406 O THR A 46 0.322 8.693 5.104 1.00 0.47 O ATOM 407 CB THR A 46 -0.660 11.006 6.732 1.00 0.51 C ATOM 408 OG1 THR A 46 -0.654 11.945 7.814 1.00 0.77 O ATOM 409 CG2 THR A 46 -2.055 10.975 6.116 1.00 0.64 C ATOM 0 H THR A 46 1.838 9.965 7.175 1.00 0.43 H new ATOM 0 HA THR A 46 -0.913 9.327 8.052 1.00 0.42 H new ATOM 0 HB THR A 46 0.045 11.300 5.955 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.928 12.826 7.484 1.00 0.77 H new ATOM 0 HG21 THR A 46 -2.318 11.971 5.759 1.00 0.64 H new ATOM 0 HG22 THR A 46 -2.068 10.275 5.280 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.778 10.657 6.867 1.00 0.64 H new ATOM 417 N TRP A 47 -1.029 7.493 6.440 1.00 0.37 N ATOM 418 CA TRP A 47 -1.338 6.492 5.438 1.00 0.36 C ATOM 419 C TRP A 47 -2.845 6.434 5.211 1.00 0.37 C ATOM 420 O TRP A 47 -3.621 6.989 5.989 1.00 0.50 O ATOM 421 CB TRP A 47 -0.857 5.092 5.851 1.00 0.37 C ATOM 422 CG TRP A 47 0.626 4.933 6.012 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.600 5.836 5.702 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.303 3.769 6.502 1.00 0.37 C ATOM 425 NE1 TRP A 47 2.839 5.305 5.963 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.682 4.036 6.454 1.00 0.40 C ATOM 427 CE3 TRP A 47 0.874 2.523 6.968 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.633 3.102 6.859 1.00 0.45 C ATOM 429 CZ3 TRP A 47 1.821 1.602 7.371 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.187 1.895 7.308 1.00 0.47 C ATOM 0 H TRP A 47 -1.415 7.296 7.363 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.818 6.783 4.525 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -1.336 4.827 6.793 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -1.202 4.375 5.105 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.422 6.826 5.308 1.00 0.38 H new ATOM 0 HE1 TRP A 47 3.730 5.778 5.815 1.00 0.40 H new ATOM 0 HE3 TRP A 47 -0.178 2.285 7.012 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.689 3.327 6.819 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.501 0.639 7.741 1.00 0.45 H new ATOM 0 HH2 TRP A 47 3.903 1.150 7.622 1.00 0.47 H new ATOM 441 N LEU A 48 -3.253 5.752 4.155 1.00 0.31 N ATOM 442 CA LEU A 48 -4.653 5.393 3.959 1.00 0.31 C ATOM 443 C LEU A 48 -4.733 4.147 3.092 1.00 0.28 C ATOM 444 O LEU A 48 -3.706 3.638 2.644 1.00 0.29 O ATOM 445 CB LEU A 48 -5.484 6.522 3.330 1.00 0.37 C ATOM 446 CG LEU A 48 -5.191 6.825 1.858 1.00 0.45 C ATOM 447 CD1 LEU A 48 -6.457 7.279 1.147 1.00 0.60 C ATOM 448 CD2 LEU A 48 -4.121 7.892 1.728 1.00 0.55 C ATOM 0 H LEU A 48 -2.631 5.432 3.413 1.00 0.31 H new ATOM 0 HA LEU A 48 -5.080 5.205 4.944 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -6.539 6.267 3.426 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -5.322 7.432 3.908 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.828 5.908 1.393 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -6.231 7.490 0.102 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -7.209 6.492 1.204 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -6.839 8.181 1.625 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -3.931 8.090 0.673 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -4.459 8.807 2.213 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -3.203 7.547 2.204 1.00 0.55 H new ATOM 460 N ILE A 49 -5.938 3.652 2.855 1.00 0.34 N ATOM 461 CA ILE A 49 -6.120 2.518 1.967 1.00 0.36 C ATOM 462 C ILE A 49 -7.082 2.866 0.841 1.00 0.42 C ATOM 463 O ILE A 49 -8.213 3.289 1.083 1.00 0.65 O ATOM 464 CB ILE A 49 -6.615 1.273 2.732 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.535 0.822 3.714 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.973 0.150 1.764 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.933 -0.370 4.553 1.00 0.46 C ATOM 0 H ILE A 49 -6.799 4.016 3.263 1.00 0.34 H new ATOM 0 HA ILE A 49 -5.148 2.280 1.536 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.518 1.529 3.287 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.630 0.577 3.157 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.288 1.653 4.374 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.319 -0.718 2.325 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.763 0.487 1.092 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -6.093 -0.123 1.181 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.116 -0.631 5.225 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.819 -0.124 5.138 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.152 -1.216 3.902 1.00 0.46 H new ATOM 479 N LEU A 50 -6.598 2.729 -0.383 1.00 0.41 N ATOM 480 CA LEU A 50 -7.403 2.954 -1.573 1.00 0.53 C ATOM 481 C LEU A 50 -7.416 1.697 -2.423 1.00 0.78 C ATOM 482 O LEU A 50 -6.448 1.426 -3.130 1.00 1.77 O ATOM 483 CB LEU A 50 -6.845 4.119 -2.393 1.00 0.49 C ATOM 484 CG LEU A 50 -7.011 5.510 -1.776 1.00 0.49 C ATOM 485 CD1 LEU A 50 -6.448 6.564 -2.713 1.00 0.93 C ATOM 486 CD2 LEU A 50 -8.474 5.792 -1.496 1.00 0.99 C ATOM 0 H LEU A 50 -5.634 2.458 -0.580 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.418 3.201 -1.263 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.783 3.943 -2.563 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.329 4.116 -3.370 1.00 0.49 H new ATOM 0 HG LEU A 50 -6.463 5.542 -0.834 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -6.570 7.551 -2.266 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -5.389 6.371 -2.883 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.980 6.528 -3.663 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -8.576 6.785 -1.057 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -9.038 5.747 -2.428 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.862 5.047 -0.801 1.00 0.99 H new ATOM 498 N HIS A 51 -8.507 0.938 -2.359 1.00 0.67 N ATOM 499 CA HIS A 51 -8.636 -0.292 -3.146 1.00 0.73 C ATOM 500 C HIS A 51 -7.513 -1.272 -2.786 1.00 0.82 C ATOM 501 O HIS A 51 -6.637 -1.547 -3.614 1.00 1.80 O ATOM 502 CB HIS A 51 -8.612 0.014 -4.658 1.00 0.79 C ATOM 503 CG HIS A 51 -9.816 0.757 -5.167 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.672 0.242 -6.113 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.285 1.997 -4.882 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.617 1.128 -6.385 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.403 2.197 -5.653 1.00 2.30 N ATOM 0 H HIS A 51 -9.314 1.150 -1.773 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.596 -0.749 -2.907 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.720 0.598 -4.883 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.524 -0.925 -5.204 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.858 2.697 -4.179 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.426 0.995 -7.088 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.976 3.041 -5.657 1.00 2.30 H new ATOM 516 N HIS A 52 -7.544 -1.769 -1.545 1.00 0.46 N ATOM 517 CA HIS A 52 -6.530 -2.686 -1.008 1.00 0.42 C ATOM 518 C HIS A 52 -5.210 -1.972 -0.689 1.00 0.43 C ATOM 519 O HIS A 52 -4.682 -2.098 0.414 1.00 0.81 O ATOM 520 CB HIS A 52 -6.248 -3.842 -1.964 1.00 0.58 C ATOM 521 CG HIS A 52 -7.448 -4.651 -2.364 1.00 1.12 C ATOM 522 ND1 HIS A 52 -7.662 -5.100 -3.656 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.482 -5.134 -1.633 1.00 1.81 C ATOM 524 CE1 HIS A 52 -8.768 -5.818 -3.694 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.282 -5.853 -2.484 1.00 2.36 N ATOM 0 H HIS A 52 -8.281 -1.544 -0.877 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.949 -3.079 -0.082 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -5.783 -3.442 -2.865 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.520 -4.507 -1.499 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -8.646 -4.981 -0.576 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -9.181 -6.296 -4.570 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -10.140 -6.338 -2.220 1.00 2.36 H new ATOM 534 N LYS A 53 -4.681 -1.233 -1.666 1.00 0.33 N ATOM 535 CA LYS A 53 -3.343 -0.657 -1.564 1.00 0.36 C ATOM 536 C LYS A 53 -3.233 0.352 -0.428 1.00 0.29 C ATOM 537 O LYS A 53 -4.139 1.162 -0.218 1.00 0.32 O ATOM 538 CB LYS A 53 -2.934 0.019 -2.871 1.00 0.45 C ATOM 539 CG LYS A 53 -2.933 -0.904 -4.078 1.00 0.66 C ATOM 540 CD LYS A 53 -1.940 -2.046 -3.926 1.00 0.95 C ATOM 541 CE LYS A 53 -1.819 -2.860 -5.211 1.00 1.25 C ATOM 542 NZ LYS A 53 -0.940 -4.049 -5.041 1.00 1.76 N ATOM 0 H LYS A 53 -5.163 -1.020 -2.539 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.669 -1.488 -1.354 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.612 0.850 -3.064 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.937 0.442 -2.751 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -3.934 -1.311 -4.223 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -2.690 -0.330 -4.972 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -0.963 -1.646 -3.655 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -2.255 -2.697 -3.111 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -2.810 -3.185 -5.528 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -1.422 -2.227 -6.004 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.544 -4.323 -5.963 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.166 -3.817 -4.387 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.495 -4.839 -4.654 1.00 1.76 H new ATOM 556 N VAL A 54 -2.113 0.302 0.284 1.00 0.27 N ATOM 557 CA VAL A 54 -1.809 1.288 1.308 1.00 0.25 C ATOM 558 C VAL A 54 -0.836 2.307 0.733 1.00 0.23 C ATOM 559 O VAL A 54 0.096 1.951 0.003 1.00 0.25 O ATOM 560 CB VAL A 54 -1.221 0.643 2.595 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.053 -0.136 2.315 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.971 1.695 3.673 1.00 0.32 C ATOM 0 H VAL A 54 -1.398 -0.416 0.168 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.739 1.775 1.601 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.967 -0.063 2.960 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.427 -0.568 3.243 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.157 -0.933 1.602 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.805 0.534 1.898 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.560 1.215 4.561 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.264 2.436 3.301 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.911 2.186 3.928 1.00 0.32 H new ATOM 572 N TYR A 55 -1.074 3.574 1.023 1.00 0.23 N ATOM 573 CA TYR A 55 -0.238 4.633 0.493 1.00 0.25 C ATOM 574 C TYR A 55 0.463 5.385 1.616 1.00 0.27 C ATOM 575 O TYR A 55 0.028 5.338 2.765 1.00 0.35 O ATOM 576 CB TYR A 55 -1.059 5.619 -0.343 1.00 0.27 C ATOM 577 CG TYR A 55 -1.723 5.029 -1.570 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.802 4.166 -1.444 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.248 5.302 -2.846 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.391 3.595 -2.554 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.831 4.733 -3.958 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.975 4.014 -3.832 1.00 0.42 C ATOM 583 OH TYR A 55 -3.482 3.313 -4.915 1.00 0.49 O ATOM 0 H TYR A 55 -1.837 3.892 1.621 1.00 0.23 H new ATOM 0 HA TYR A 55 0.511 4.166 -0.147 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.829 6.056 0.293 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.407 6.433 -0.659 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -3.187 3.937 -0.461 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.409 5.971 -2.969 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -4.156 2.841 -2.444 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.377 4.859 -4.930 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.126 3.692 -5.746 1.00 0.49 H new ATOM 593 N ASP A 56 1.537 6.086 1.279 1.00 0.34 N ATOM 594 CA ASP A 56 2.255 6.911 2.250 1.00 0.38 C ATOM 595 C ASP A 56 2.206 8.378 1.816 1.00 0.38 C ATOM 596 O ASP A 56 2.403 8.670 0.636 1.00 0.48 O ATOM 597 CB ASP A 56 3.711 6.430 2.389 1.00 0.47 C ATOM 598 CG ASP A 56 4.429 7.013 3.594 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.485 8.248 3.719 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.960 6.224 4.413 1.00 1.32 O ATOM 0 H ASP A 56 1.933 6.102 0.339 1.00 0.34 H new ATOM 0 HA ASP A 56 1.775 6.818 3.224 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.721 5.342 2.461 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.261 6.694 1.486 1.00 0.47 H new ATOM 605 N LEU A 57 1.939 9.313 2.734 1.00 0.37 N ATOM 606 CA LEU A 57 1.970 10.745 2.365 1.00 0.39 C ATOM 607 C LEU A 57 2.912 11.510 3.296 1.00 0.51 C ATOM 608 O LEU A 57 2.854 12.748 3.345 1.00 1.12 O ATOM 609 CB LEU A 57 0.576 11.404 2.449 1.00 0.45 C ATOM 610 CG LEU A 57 -0.555 10.784 1.607 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.100 10.539 0.174 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.086 9.508 2.238 1.00 1.27 C ATOM 0 H LEU A 57 1.706 9.121 3.708 1.00 0.37 H new ATOM 0 HA LEU A 57 2.318 10.792 1.333 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.262 11.395 3.493 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.680 12.449 2.156 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.375 11.502 1.581 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -0.918 10.101 -0.398 1.00 1.35 H new ATOM 0 HD12 LEU A 57 0.195 11.485 -0.281 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.749 9.856 0.174 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.882 9.099 1.616 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.279 8.780 2.320 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.478 9.729 3.231 1.00 1.27 H new ATOM 624 N THR A 58 3.743 10.787 4.025 1.00 0.54 N ATOM 625 CA THR A 58 4.511 11.341 5.155 1.00 0.56 C ATOM 626 C THR A 58 5.446 12.476 4.736 1.00 0.66 C ATOM 627 O THR A 58 5.891 13.264 5.574 1.00 1.15 O ATOM 628 CB THR A 58 5.307 10.230 5.883 1.00 0.65 C ATOM 629 OG1 THR A 58 4.436 9.134 6.190 1.00 1.43 O ATOM 630 CG2 THR A 58 5.933 10.744 7.175 1.00 1.12 C ATOM 0 H THR A 58 3.913 9.795 3.860 1.00 0.54 H new ATOM 0 HA THR A 58 3.781 11.765 5.844 1.00 0.56 H new ATOM 0 HB THR A 58 6.107 9.904 5.218 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.215 8.651 5.366 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.484 9.937 7.659 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.615 11.563 6.948 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.149 11.099 7.843 1.00 1.12 H new ATOM 638 N LYS A 59 5.753 12.545 3.434 1.00 0.57 N ATOM 639 CA LYS A 59 6.424 13.709 2.845 1.00 0.58 C ATOM 640 C LYS A 59 5.372 14.629 2.210 1.00 0.48 C ATOM 641 O LYS A 59 5.448 15.855 2.294 1.00 0.54 O ATOM 642 CB LYS A 59 7.428 13.286 1.763 1.00 0.69 C ATOM 643 CG LYS A 59 8.855 13.067 2.258 1.00 1.37 C ATOM 644 CD LYS A 59 9.852 13.254 1.122 1.00 1.96 C ATOM 645 CE LYS A 59 9.807 14.677 0.576 1.00 2.58 C ATOM 646 NZ LYS A 59 10.336 15.674 1.550 1.00 3.59 N ATOM 0 H LYS A 59 5.545 11.803 2.766 1.00 0.57 H new ATOM 0 HA LYS A 59 6.964 14.228 3.637 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.074 12.364 1.301 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.443 14.048 0.984 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.078 13.767 3.063 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.952 12.063 2.672 1.00 1.37 H new ATOM 0 HD2 LYS A 59 10.858 13.030 1.477 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.632 12.548 0.322 1.00 1.96 H new ATOM 0 HE2 LYS A 59 10.388 14.729 -0.345 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.779 14.933 0.320 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 10.380 16.610 1.099 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.708 15.718 2.378 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 11.290 15.391 1.854 1.00 3.59 H new ATOM 660 N PHE A 60 4.377 13.973 1.594 1.00 0.40 N ATOM 661 CA PHE A 60 3.393 14.586 0.686 1.00 0.35 C ATOM 662 C PHE A 60 2.540 15.657 1.365 1.00 0.36 C ATOM 663 O PHE A 60 1.876 16.448 0.698 1.00 0.40 O ATOM 664 CB PHE A 60 2.476 13.492 0.115 1.00 0.37 C ATOM 665 CG PHE A 60 1.934 13.797 -1.248 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.758 14.341 -2.216 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.609 13.536 -1.564 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.272 14.625 -3.476 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.119 13.815 -2.825 1.00 2.01 C ATOM 670 CZ PHE A 60 0.950 14.360 -3.782 1.00 1.72 C ATOM 0 H PHE A 60 4.230 12.971 1.717 1.00 0.40 H new ATOM 0 HA PHE A 60 3.954 15.078 -0.109 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.030 12.554 0.072 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.642 13.338 0.800 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.793 14.546 -1.984 1.00 1.40 H new ATOM 0 HD2 PHE A 60 -0.045 13.111 -0.817 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.924 15.054 -4.223 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.914 13.607 -3.062 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.569 14.579 -4.768 1.00 1.72 H new ATOM 680 N LEU A 61 2.601 15.660 2.698 1.00 0.38 N ATOM 681 CA LEU A 61 1.767 16.506 3.563 1.00 0.44 C ATOM 682 C LEU A 61 1.796 17.982 3.164 1.00 0.47 C ATOM 683 O LEU A 61 0.808 18.693 3.316 1.00 0.60 O ATOM 684 CB LEU A 61 2.254 16.355 5.008 1.00 0.50 C ATOM 685 CG LEU A 61 2.228 14.928 5.562 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.766 14.911 6.977 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.823 14.345 5.519 1.00 0.61 C ATOM 0 H LEU A 61 3.243 15.064 3.220 1.00 0.38 H new ATOM 0 HA LEU A 61 0.734 16.174 3.456 1.00 0.44 H new ATOM 0 HB2 LEU A 61 3.274 16.733 5.071 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.639 16.987 5.649 1.00 0.50 H new ATOM 0 HG LEU A 61 2.865 14.306 4.933 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.744 13.892 7.363 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.792 15.278 6.980 1.00 0.72 H new ATOM 0 HD13 LEU A 61 2.150 15.551 7.608 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.837 13.331 5.919 1.00 0.61 H new ATOM 0 HD22 LEU A 61 0.154 14.962 6.119 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.469 14.323 4.488 1.00 0.61 H new ATOM 699 N GLU A 62 2.946 18.423 2.661 1.00 0.46 N ATOM 700 CA GLU A 62 3.177 19.841 2.371 1.00 0.55 C ATOM 701 C GLU A 62 3.130 20.133 0.867 1.00 0.53 C ATOM 702 O GLU A 62 3.226 21.286 0.437 1.00 0.72 O ATOM 703 CB GLU A 62 4.532 20.278 2.949 1.00 0.68 C ATOM 704 CG GLU A 62 5.717 19.448 2.473 1.00 0.99 C ATOM 705 CD GLU A 62 7.037 19.953 3.026 1.00 1.22 C ATOM 706 OE1 GLU A 62 7.242 19.882 4.257 1.00 1.62 O ATOM 707 OE2 GLU A 62 7.881 20.420 2.234 1.00 1.60 O ATOM 0 H GLU A 62 3.738 17.818 2.444 1.00 0.46 H new ATOM 0 HA GLU A 62 2.375 20.410 2.842 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.706 21.321 2.686 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.482 20.228 4.037 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.574 18.410 2.773 1.00 0.99 H new ATOM 0 HG3 GLU A 62 5.753 19.463 1.384 1.00 0.99 H new ATOM 714 N GLU A 63 2.998 19.072 0.077 1.00 0.42 N ATOM 715 CA GLU A 63 3.074 19.167 -1.381 1.00 0.48 C ATOM 716 C GLU A 63 1.736 18.791 -2.015 1.00 0.46 C ATOM 717 O GLU A 63 1.518 18.992 -3.213 1.00 0.66 O ATOM 718 CB GLU A 63 4.190 18.250 -1.887 1.00 0.59 C ATOM 719 CG GLU A 63 5.559 18.591 -1.313 1.00 1.05 C ATOM 720 CD GLU A 63 6.672 17.746 -1.896 1.00 1.31 C ATOM 721 OE1 GLU A 63 6.810 16.575 -1.490 1.00 1.83 O ATOM 722 OE2 GLU A 63 7.419 18.255 -2.760 1.00 2.03 O ATOM 0 H GLU A 63 2.836 18.127 0.424 1.00 0.42 H new ATOM 0 HA GLU A 63 3.298 20.195 -1.664 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.945 17.218 -1.635 1.00 0.59 H new ATOM 0 HB3 GLU A 63 4.235 18.310 -2.974 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.773 19.643 -1.500 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.537 18.457 -0.231 1.00 1.05 H new ATOM 729 N HIS A 64 0.854 18.220 -1.195 1.00 0.33 N ATOM 730 CA HIS A 64 -0.499 17.873 -1.613 1.00 0.32 C ATOM 731 C HIS A 64 -1.422 19.072 -1.409 1.00 0.42 C ATOM 732 O HIS A 64 -1.401 19.690 -0.341 1.00 0.52 O ATOM 733 CB HIS A 64 -0.989 16.653 -0.816 1.00 0.38 C ATOM 734 CG HIS A 64 -2.374 16.072 -1.121 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.474 16.244 -0.303 1.00 0.44 N ATOM 736 CD2 HIS A 64 -2.775 15.267 -2.176 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.515 15.571 -0.842 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.123 14.963 -1.965 1.00 0.36 N ATOM 0 H HIS A 64 1.060 17.986 -0.224 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.504 17.614 -2.672 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.260 15.855 -0.955 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -0.970 16.921 0.240 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -3.497 16.786 0.561 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.163 14.938 -3.003 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.512 15.531 -0.428 1.00 0.43 H new ATOM 746 N PRO A 65 -2.214 19.416 -2.452 1.00 0.51 N ATOM 747 CA PRO A 65 -3.135 20.574 -2.474 1.00 0.73 C ATOM 748 C PRO A 65 -3.807 20.911 -1.133 1.00 0.90 C ATOM 749 O PRO A 65 -3.898 22.081 -0.757 1.00 1.46 O ATOM 750 CB PRO A 65 -4.185 20.105 -3.469 1.00 0.96 C ATOM 751 CG PRO A 65 -3.425 19.314 -4.475 1.00 0.81 C ATOM 752 CD PRO A 65 -2.264 18.689 -3.739 1.00 0.55 C ATOM 0 HA PRO A 65 -2.603 21.493 -2.719 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.948 19.498 -2.982 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.696 20.949 -3.933 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.057 18.548 -4.925 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.073 19.952 -5.285 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.418 17.621 -3.587 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.333 18.801 -4.296 1.00 0.55 H new ATOM 760 N GLY A 66 -4.290 19.887 -0.430 1.00 1.08 N ATOM 761 CA GLY A 66 -5.065 20.111 0.779 1.00 1.38 C ATOM 762 C GLY A 66 -4.227 20.079 2.041 1.00 1.38 C ATOM 763 O GLY A 66 -3.046 19.744 1.998 1.00 2.03 O ATOM 0 H GLY A 66 -4.158 18.906 -0.677 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -5.566 21.076 0.708 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -5.844 19.352 0.849 1.00 1.38 H new ATOM 767 N GLY A 67 -4.855 20.407 3.168 1.00 1.25 N ATOM 768 CA GLY A 67 -4.148 20.497 4.430 1.00 1.70 C ATOM 769 C GLY A 67 -3.963 19.151 5.100 1.00 1.24 C ATOM 770 O GLY A 67 -4.726 18.218 4.859 1.00 1.66 O ATOM 0 H GLY A 67 -5.852 20.614 3.226 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -3.171 20.951 4.262 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -4.696 21.159 5.101 1.00 1.70 H new ATOM 774 N GLU A 68 -2.958 19.078 5.968 1.00 1.38 N ATOM 775 CA GLU A 68 -2.608 17.852 6.688 1.00 1.18 C ATOM 776 C GLU A 68 -3.801 17.318 7.496 1.00 0.94 C ATOM 777 O GLU A 68 -4.093 16.124 7.502 1.00 0.98 O ATOM 778 CB GLU A 68 -1.387 18.152 7.590 1.00 1.50 C ATOM 779 CG GLU A 68 -1.092 17.123 8.680 1.00 1.48 C ATOM 780 CD GLU A 68 -1.679 17.521 10.025 1.00 2.09 C ATOM 781 OE1 GLU A 68 -2.188 18.651 10.159 1.00 2.25 O ATOM 782 OE2 GLU A 68 -1.647 16.690 10.959 1.00 2.88 O ATOM 0 H GLU A 68 -2.358 19.871 6.195 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.348 17.066 5.979 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -0.505 18.243 6.956 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -1.540 19.121 8.065 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.496 16.156 8.382 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.013 17.001 8.779 1.00 1.48 H new ATOM 789 N GLU A 69 -4.514 18.257 8.109 1.00 0.91 N ATOM 790 CA GLU A 69 -5.579 17.980 9.080 1.00 0.84 C ATOM 791 C GLU A 69 -6.688 17.084 8.528 1.00 0.75 C ATOM 792 O GLU A 69 -7.166 16.184 9.217 1.00 0.78 O ATOM 793 CB GLU A 69 -6.179 19.305 9.550 1.00 0.97 C ATOM 794 CG GLU A 69 -6.686 20.181 8.412 1.00 1.64 C ATOM 795 CD GLU A 69 -7.426 21.408 8.904 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.271 21.271 9.814 1.00 2.27 O ATOM 797 OE2 GLU A 69 -7.180 22.506 8.363 1.00 2.63 O ATOM 0 H GLU A 69 -4.369 19.253 7.945 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.125 17.436 9.908 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.002 19.099 10.234 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -5.426 19.856 10.114 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.843 20.493 7.796 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.347 19.594 7.774 1.00 1.64 H new ATOM 804 N VAL A 70 -7.100 17.346 7.288 1.00 0.79 N ATOM 805 CA VAL A 70 -8.273 16.693 6.723 1.00 0.86 C ATOM 806 C VAL A 70 -7.902 15.372 6.069 1.00 0.82 C ATOM 807 O VAL A 70 -8.768 14.545 5.783 1.00 1.01 O ATOM 808 CB VAL A 70 -9.009 17.612 5.716 1.00 1.09 C ATOM 809 CG1 VAL A 70 -8.188 17.838 4.451 1.00 1.96 C ATOM 810 CG2 VAL A 70 -10.390 17.056 5.384 1.00 1.41 C ATOM 0 H VAL A 70 -6.639 18.004 6.660 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.956 16.488 7.547 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.139 18.584 6.193 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -8.739 18.487 3.771 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -7.239 18.307 4.712 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -7.998 16.881 3.965 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.888 17.718 4.675 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.287 16.064 4.943 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -10.984 16.988 6.296 1.00 1.41 H new ATOM 820 N LEU A 71 -6.612 15.172 5.845 1.00 0.72 N ATOM 821 CA LEU A 71 -6.128 13.881 5.389 1.00 0.74 C ATOM 822 C LEU A 71 -6.461 12.845 6.444 1.00 0.70 C ATOM 823 O LEU A 71 -7.064 11.811 6.174 1.00 0.77 O ATOM 824 CB LEU A 71 -4.617 13.913 5.149 1.00 0.84 C ATOM 825 CG LEU A 71 -4.170 14.738 3.949 1.00 1.10 C ATOM 826 CD1 LEU A 71 -2.653 14.839 3.912 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.707 14.118 2.668 1.00 1.69 C ATOM 0 H LEU A 71 -5.889 15.880 5.970 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.609 13.630 4.444 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.131 14.307 6.042 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.264 12.890 5.019 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.571 15.747 4.039 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.349 15.431 3.049 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.298 15.318 4.824 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.224 13.840 3.836 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.384 14.712 1.813 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.326 13.102 2.568 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -5.796 14.095 2.704 1.00 1.69 H new ATOM 839 N ARG A 72 -6.073 13.203 7.667 1.00 0.70 N ATOM 840 CA ARG A 72 -6.129 12.331 8.839 1.00 0.78 C ATOM 841 C ARG A 72 -7.522 11.797 9.121 1.00 0.92 C ATOM 842 O ARG A 72 -7.685 10.732 9.712 1.00 1.03 O ATOM 843 CB ARG A 72 -5.638 13.106 10.055 1.00 0.77 C ATOM 844 CG ARG A 72 -4.147 13.377 10.046 1.00 1.42 C ATOM 845 CD ARG A 72 -3.806 14.598 10.883 1.00 1.49 C ATOM 846 NE ARG A 72 -4.549 14.620 12.147 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.473 15.606 13.045 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.642 16.626 12.846 1.00 2.24 N ATOM 849 NH2 ARG A 72 -5.239 15.570 14.133 1.00 3.47 N ATOM 0 H ARG A 72 -5.702 14.130 7.875 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.493 11.471 8.631 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.170 14.056 10.108 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.891 12.548 10.956 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.614 12.508 10.432 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -3.808 13.529 9.021 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -2.736 14.608 11.091 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.029 15.501 10.315 1.00 1.49 H new ATOM 0 HE ARG A 72 -5.163 13.832 12.354 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.062 16.655 12.007 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.585 17.378 13.532 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -5.881 14.791 14.279 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -5.184 16.321 14.821 1.00 3.47 H new ATOM 863 N GLU A 73 -8.524 12.587 8.721 1.00 1.13 N ATOM 864 CA GLU A 73 -9.921 12.332 9.067 1.00 1.55 C ATOM 865 C GLU A 73 -10.431 11.087 8.348 1.00 1.28 C ATOM 866 O GLU A 73 -11.320 10.390 8.836 1.00 1.60 O ATOM 867 CB GLU A 73 -10.782 13.550 8.695 1.00 1.97 C ATOM 868 CG GLU A 73 -12.161 13.548 9.338 1.00 2.63 C ATOM 869 CD GLU A 73 -12.982 14.766 8.972 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.675 15.865 9.482 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.921 14.630 8.161 1.00 3.65 O ATOM 0 H GLU A 73 -8.387 13.420 8.149 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.990 12.162 10.141 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.256 14.458 8.989 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.897 13.585 7.612 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.697 12.649 9.033 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.051 13.502 10.421 1.00 2.63 H new ATOM 878 N GLN A 74 -9.868 10.851 7.168 1.00 0.77 N ATOM 879 CA GLN A 74 -10.173 9.674 6.358 1.00 0.62 C ATOM 880 C GLN A 74 -9.037 8.664 6.465 1.00 0.56 C ATOM 881 O GLN A 74 -9.214 7.468 6.245 1.00 0.64 O ATOM 882 CB GLN A 74 -10.335 10.075 4.888 1.00 0.63 C ATOM 883 CG GLN A 74 -11.718 10.584 4.499 1.00 0.76 C ATOM 884 CD GLN A 74 -12.073 11.921 5.122 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.781 12.972 4.559 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.735 11.891 6.272 1.00 1.68 N ATOM 0 H GLN A 74 -9.182 11.475 6.742 1.00 0.77 H new ATOM 0 HA GLN A 74 -11.100 9.232 6.724 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -9.603 10.849 4.657 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -10.095 9.213 4.265 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -11.771 10.673 3.414 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -12.464 9.846 4.795 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.959 10.997 6.708 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.020 12.762 6.719 1.00 1.68 H new ATOM 895 N ALA A 75 -7.858 9.185 6.790 1.00 0.55 N ATOM 896 CA ALA A 75 -6.640 8.390 6.855 1.00 0.58 C ATOM 897 C ALA A 75 -6.720 7.314 7.931 1.00 0.52 C ATOM 898 O ALA A 75 -7.373 7.488 8.961 1.00 0.70 O ATOM 899 CB ALA A 75 -5.426 9.281 7.094 1.00 0.70 C ATOM 0 H ALA A 75 -7.722 10.170 7.015 1.00 0.55 H new ATOM 0 HA ALA A 75 -6.531 7.891 5.892 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -4.527 8.666 7.139 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -5.335 9.998 6.278 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.547 9.816 8.036 1.00 0.70 H new ATOM 905 N GLY A 76 -6.016 6.222 7.687 1.00 0.49 N ATOM 906 CA GLY A 76 -6.082 5.066 8.553 1.00 0.58 C ATOM 907 C GLY A 76 -6.420 3.819 7.769 1.00 0.48 C ATOM 908 O GLY A 76 -6.113 2.707 8.189 1.00 0.72 O ATOM 0 H GLY A 76 -5.389 6.115 6.890 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.127 4.933 9.061 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.833 5.229 9.326 1.00 0.58 H new ATOM 912 N GLY A 77 -7.065 4.013 6.624 1.00 0.42 N ATOM 913 CA GLY A 77 -7.392 2.902 5.752 1.00 0.52 C ATOM 914 C GLY A 77 -8.840 2.937 5.307 1.00 0.44 C ATOM 915 O GLY A 77 -9.599 3.764 5.795 1.00 0.78 O ATOM 0 H GLY A 77 -7.368 4.925 6.283 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -6.743 2.925 4.877 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -7.195 1.964 6.271 1.00 0.52 H new ATOM 919 N ASP A 78 -9.192 2.074 4.340 1.00 0.55 N ATOM 920 CA ASP A 78 -10.593 1.845 3.943 1.00 0.72 C ATOM 921 C ASP A 78 -11.344 3.160 3.710 1.00 0.67 C ATOM 922 O ASP A 78 -12.514 3.309 4.076 1.00 1.04 O ATOM 923 CB ASP A 78 -11.288 1.017 5.025 1.00 1.14 C ATOM 924 CG ASP A 78 -11.896 -0.268 4.482 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.192 -1.299 4.461 1.00 2.28 O ATOM 926 OD2 ASP A 78 -13.082 -0.248 4.068 1.00 2.59 O ATOM 0 H ASP A 78 -8.518 1.518 3.813 1.00 0.55 H new ATOM 0 HA ASP A 78 -10.600 1.303 2.997 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.569 0.772 5.807 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.071 1.617 5.489 1.00 1.14 H new ATOM 931 N ALA A 79 -10.659 4.106 3.082 1.00 0.54 N ATOM 932 CA ALA A 79 -11.157 5.467 2.945 1.00 0.58 C ATOM 933 C ALA A 79 -11.274 5.841 1.486 1.00 0.56 C ATOM 934 O ALA A 79 -10.837 6.913 1.066 1.00 0.67 O ATOM 935 CB ALA A 79 -10.233 6.433 3.662 1.00 0.73 C ATOM 0 H ALA A 79 -9.746 3.952 2.655 1.00 0.54 H new ATOM 0 HA ALA A 79 -12.147 5.524 3.397 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -10.614 7.449 3.554 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -10.185 6.174 4.720 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -9.235 6.372 3.228 1.00 0.73 H new ATOM 941 N THR A 80 -11.883 4.955 0.722 1.00 0.54 N ATOM 942 CA THR A 80 -11.961 5.121 -0.716 1.00 0.60 C ATOM 943 C THR A 80 -13.243 5.855 -1.148 1.00 0.65 C ATOM 944 O THR A 80 -13.468 6.038 -2.340 1.00 0.84 O ATOM 945 CB THR A 80 -11.871 3.753 -1.435 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.634 3.941 -2.838 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.147 2.944 -1.236 1.00 0.70 C ATOM 0 H THR A 80 -12.332 4.110 1.075 1.00 0.54 H new ATOM 0 HA THR A 80 -11.110 5.736 -1.007 1.00 0.60 H new ATOM 0 HB THR A 80 -11.038 3.201 -0.999 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.264 4.604 -3.190 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.056 1.988 -1.752 1.00 0.70 H new ATOM 0 HG22 THR A 80 -13.304 2.769 -0.172 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.995 3.496 -1.642 1.00 0.70 H new ATOM 955 N GLU A 81 -14.076 6.290 -0.193 1.00 0.65 N ATOM 956 CA GLU A 81 -15.312 7.008 -0.538 1.00 0.79 C ATOM 957 C GLU A 81 -14.983 8.248 -1.364 1.00 0.85 C ATOM 958 O GLU A 81 -15.446 8.417 -2.485 1.00 0.98 O ATOM 959 CB GLU A 81 -16.114 7.397 0.713 1.00 0.91 C ATOM 960 CG GLU A 81 -17.454 8.048 0.377 1.00 1.54 C ATOM 961 CD GLU A 81 -18.276 8.434 1.595 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.012 9.509 2.178 1.00 2.27 O ATOM 963 OE2 GLU A 81 -19.159 7.649 1.996 1.00 2.27 O ATOM 0 H GLU A 81 -13.922 6.161 0.807 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.934 6.336 -1.129 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -16.289 6.508 1.318 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -15.523 8.084 1.319 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.273 8.939 -0.224 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -18.036 7.362 -0.238 1.00 1.54 H new ATOM 970 N ASN A 82 -14.129 9.089 -0.768 1.00 0.82 N ATOM 971 CA ASN A 82 -13.663 10.343 -1.370 1.00 0.90 C ATOM 972 C ASN A 82 -13.138 10.120 -2.782 1.00 0.94 C ATOM 973 O ASN A 82 -13.317 10.949 -3.672 1.00 1.09 O ATOM 974 CB ASN A 82 -12.552 10.941 -0.487 1.00 0.93 C ATOM 975 CG ASN A 82 -11.872 12.145 -1.123 1.00 1.70 C ATOM 976 OD1 ASN A 82 -10.880 12.004 -1.835 1.00 2.41 O ATOM 977 ND2 ASN A 82 -12.384 13.339 -0.849 1.00 2.40 N ATOM 0 H ASN A 82 -13.738 8.915 0.158 1.00 0.82 H new ATOM 0 HA ASN A 82 -14.505 11.032 -1.434 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -12.977 11.235 0.473 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -11.805 10.174 -0.283 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -11.953 14.179 -1.234 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.209 13.416 -0.254 1.00 2.40 H new ATOM 984 N PHE A 83 -12.488 8.976 -2.943 1.00 0.85 N ATOM 985 CA PHE A 83 -11.790 8.612 -4.162 1.00 0.89 C ATOM 986 C PHE A 83 -12.771 8.268 -5.277 1.00 1.02 C ATOM 987 O PHE A 83 -12.482 8.446 -6.457 1.00 1.17 O ATOM 988 CB PHE A 83 -10.889 7.419 -3.854 1.00 0.81 C ATOM 989 CG PHE A 83 -9.931 7.075 -4.952 1.00 0.86 C ATOM 990 CD1 PHE A 83 -8.872 7.916 -5.250 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.089 5.911 -5.676 1.00 1.20 C ATOM 992 CE1 PHE A 83 -7.977 7.595 -6.254 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.205 5.584 -6.681 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.147 6.428 -6.972 1.00 1.13 C ATOM 0 H PHE A 83 -12.432 8.264 -2.215 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.194 9.456 -4.508 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.324 7.630 -2.946 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.514 6.550 -3.646 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -8.744 8.832 -4.693 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -10.913 5.250 -5.453 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.150 8.253 -6.475 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -9.337 4.670 -7.241 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.454 6.174 -7.761 1.00 1.13 H new ATOM 1004 N GLU A 84 -13.925 7.740 -4.869 1.00 1.00 N ATOM 1005 CA GLU A 84 -14.979 7.343 -5.796 1.00 1.14 C ATOM 1006 C GLU A 84 -15.920 8.512 -6.071 1.00 1.24 C ATOM 1007 O GLU A 84 -16.412 8.704 -7.176 1.00 1.46 O ATOM 1008 CB GLU A 84 -15.793 6.193 -5.200 1.00 1.20 C ATOM 1009 CG GLU A 84 -14.975 5.007 -4.716 1.00 1.33 C ATOM 1010 CD GLU A 84 -14.218 4.306 -5.819 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.866 3.750 -6.733 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -12.970 4.275 -5.754 1.00 2.19 O ATOM 0 H GLU A 84 -14.153 7.577 -3.888 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.509 7.027 -6.727 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.377 6.577 -4.364 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.502 5.843 -5.950 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.267 5.348 -3.961 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.639 4.292 -4.231 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.193 9.250 -4.980 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.299 10.211 -4.890 1.00 1.34 C ATOM 1021 C ASP A 85 -17.040 11.493 -5.671 1.00 1.45 C ATOM 1022 O ASP A 85 -17.845 11.886 -6.507 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.568 10.556 -3.419 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.688 11.562 -3.256 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.866 11.167 -3.375 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.398 12.749 -3.013 1.00 1.81 O ATOM 0 H ASP A 85 -15.641 9.192 -4.124 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.170 9.732 -5.338 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.820 9.645 -2.876 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.658 10.954 -2.970 1.00 1.35 H new ATOM 1031 N VAL A 86 -15.951 12.172 -5.343 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.611 13.421 -6.005 1.00 1.50 C ATOM 1033 C VAL A 86 -14.513 13.184 -7.039 1.00 1.26 C ATOM 1034 O VAL A 86 -14.436 13.875 -8.057 1.00 1.87 O ATOM 1035 CB VAL A 86 -15.193 14.505 -4.975 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -13.963 14.077 -4.192 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -14.966 15.850 -5.644 1.00 2.64 C ATOM 0 H VAL A 86 -15.289 11.879 -4.624 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.496 13.792 -6.523 1.00 1.50 H new ATOM 0 HB VAL A 86 -16.018 14.618 -4.271 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -13.696 14.857 -3.479 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -14.177 13.153 -3.655 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -13.133 13.914 -4.879 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.675 16.585 -4.894 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -14.175 15.757 -6.388 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.886 16.174 -6.131 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.669 12.193 -6.763 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.731 11.710 -7.752 1.00 1.82 C ATOM 1049 C GLY A 87 -11.441 12.501 -7.828 1.00 1.46 C ATOM 1050 O GLY A 87 -11.397 13.694 -7.527 1.00 2.23 O ATOM 0 H GLY A 87 -13.621 11.715 -5.863 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.493 10.669 -7.532 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.212 11.727 -8.730 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.387 11.805 -8.210 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.128 12.425 -8.556 1.00 0.81 C ATOM 1056 C HIS A 88 -9.045 12.497 -10.076 1.00 0.89 C ATOM 1057 O HIS A 88 -9.593 11.636 -10.760 1.00 1.32 O ATOM 1058 CB HIS A 88 -7.950 11.613 -7.992 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.632 11.880 -6.546 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.186 11.201 -5.459 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -6.724 12.738 -6.021 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.594 11.669 -4.337 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.717 12.589 -4.655 1.00 0.48 N ATOM 0 H HIS A 88 -10.383 10.788 -8.288 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.072 13.425 -8.126 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.169 10.552 -8.111 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.063 11.824 -8.589 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.908 10.481 -5.503 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.108 13.425 -6.583 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.811 11.336 -3.333 1.00 0.98 H new ATOM 1071 N SER A 89 -8.377 13.498 -10.622 1.00 0.81 N ATOM 1072 CA SER A 89 -8.333 13.636 -12.069 1.00 1.00 C ATOM 1073 C SER A 89 -7.121 12.919 -12.657 1.00 1.00 C ATOM 1074 O SER A 89 -6.427 12.178 -11.949 1.00 1.43 O ATOM 1075 CB SER A 89 -8.357 15.105 -12.469 1.00 1.22 C ATOM 1076 OG SER A 89 -7.447 15.862 -11.699 1.00 1.06 O ATOM 0 H SER A 89 -7.868 14.212 -10.101 1.00 0.81 H new ATOM 0 HA SER A 89 -9.223 13.160 -12.482 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.109 15.200 -13.526 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.364 15.503 -12.341 1.00 1.22 H new ATOM 0 HG SER A 89 -7.483 16.800 -11.979 1.00 1.06 H new ATOM 1082 N THR A 90 -6.867 13.141 -13.944 1.00 1.14 N ATOM 1083 CA THR A 90 -5.794 12.452 -14.644 1.00 1.15 C ATOM 1084 C THR A 90 -4.421 13.042 -14.295 1.00 1.15 C ATOM 1085 O THR A 90 -3.780 13.708 -15.105 1.00 1.72 O ATOM 1086 CB THR A 90 -6.013 12.493 -16.172 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.375 12.154 -16.475 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.080 11.515 -16.880 1.00 1.49 C ATOM 0 H THR A 90 -7.394 13.796 -14.522 1.00 1.14 H new ATOM 0 HA THR A 90 -5.812 11.413 -14.314 1.00 1.15 H new ATOM 0 HB THR A 90 -5.795 13.502 -16.523 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.511 12.183 -17.445 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.252 11.561 -17.955 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.045 11.781 -16.667 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.276 10.503 -16.525 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.002 12.802 -13.061 1.00 0.95 N ATOM 1097 CA ASP A 91 -2.648 13.116 -12.613 1.00 0.97 C ATOM 1098 C ASP A 91 -2.351 12.269 -11.390 1.00 0.89 C ATOM 1099 O ASP A 91 -1.429 11.455 -11.373 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.485 14.604 -12.276 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.051 14.940 -11.904 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.237 15.185 -12.822 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -0.732 14.944 -10.699 1.00 2.46 O ATOM 0 H ASP A 91 -4.590 12.384 -12.340 1.00 0.95 H new ATOM 0 HA ASP A 91 -1.948 12.896 -13.419 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -2.790 15.207 -13.131 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.146 14.865 -11.450 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.215 12.437 -10.390 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.157 11.678 -9.146 1.00 0.90 C ATOM 1110 C ALA A 92 -3.310 10.185 -9.403 1.00 0.82 C ATOM 1111 O ALA A 92 -2.982 9.366 -8.554 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.239 12.159 -8.205 1.00 0.97 C ATOM 0 H ALA A 92 -3.981 13.110 -10.423 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.180 11.840 -8.690 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.193 11.590 -7.276 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.090 13.217 -7.990 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.215 12.017 -8.670 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.830 9.854 -10.577 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.933 8.470 -11.031 1.00 0.73 C ATOM 1120 C ARG A 93 -2.553 7.848 -11.162 1.00 0.69 C ATOM 1121 O ARG A 93 -2.340 6.680 -10.846 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.590 8.432 -12.403 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.068 8.749 -12.431 1.00 1.64 C ATOM 1124 CD ARG A 93 -6.564 8.744 -13.870 1.00 1.70 C ATOM 1125 NE ARG A 93 -5.722 7.886 -14.718 1.00 2.71 N ATOM 1126 CZ ARG A 93 -6.046 7.468 -15.941 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -7.266 7.682 -16.430 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -5.144 6.798 -16.651 1.00 4.15 N ATOM 0 H ARG A 93 -4.193 10.536 -11.243 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.523 7.916 -10.301 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.073 9.138 -13.053 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.442 7.440 -12.829 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.619 8.015 -11.843 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.250 9.723 -11.976 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -7.595 8.392 -13.901 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.563 9.761 -14.262 1.00 1.70 H new ATOM 0 HE ARG A 93 -4.822 7.589 -14.341 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -7.963 8.170 -15.867 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -7.504 7.358 -17.367 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -4.221 6.612 -16.258 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -5.374 6.470 -17.589 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.621 8.666 -11.632 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.351 8.189 -12.155 1.00 0.60 C ATOM 1144 C GLU A 94 0.769 8.569 -11.204 1.00 0.58 C ATOM 1145 O GLU A 94 1.793 7.896 -11.103 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.106 8.812 -13.534 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.318 8.785 -14.454 1.00 1.19 C ATOM 1148 CD GLU A 94 -1.766 7.383 -14.836 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.993 6.669 -15.512 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -2.878 6.983 -14.444 1.00 2.11 O ATOM 0 H GLU A 94 -1.726 9.680 -11.661 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.378 7.104 -12.251 1.00 0.60 H new ATOM 0 HB2 GLU A 94 0.213 9.846 -13.402 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.716 8.284 -14.018 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.145 9.300 -13.966 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.086 9.342 -15.362 1.00 1.19 H new ATOM 1157 N MET A 95 0.538 9.689 -10.527 1.00 0.48 N ATOM 1158 CA MET A 95 1.441 10.222 -9.510 1.00 0.49 C ATOM 1159 C MET A 95 1.484 9.307 -8.301 1.00 0.42 C ATOM 1160 O MET A 95 2.525 9.111 -7.682 1.00 0.50 O ATOM 1161 CB MET A 95 0.939 11.597 -9.075 1.00 0.53 C ATOM 1162 CG MET A 95 1.786 12.260 -7.998 1.00 0.65 C ATOM 1163 SD MET A 95 3.355 12.865 -8.635 1.00 1.09 S ATOM 1164 CE MET A 95 2.749 14.054 -9.828 1.00 1.75 C ATOM 0 H MET A 95 -0.294 10.261 -10.671 1.00 0.48 H new ATOM 0 HA MET A 95 2.444 10.296 -9.931 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.903 12.251 -9.947 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.083 11.499 -8.708 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.230 13.090 -7.562 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.974 11.546 -7.196 1.00 0.65 H new ATOM 0 HE1 MET A 95 3.469 14.866 -9.930 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.614 13.565 -10.793 1.00 1.75 H new ATOM 0 HE3 MET A 95 1.794 14.456 -9.488 1.00 1.75 H new ATOM 1174 N SER A 96 0.313 8.776 -7.970 1.00 0.34 N ATOM 1175 CA SER A 96 0.108 8.016 -6.744 1.00 0.31 C ATOM 1176 C SER A 96 0.729 6.615 -6.794 1.00 0.31 C ATOM 1177 O SER A 96 0.850 5.932 -5.778 1.00 0.33 O ATOM 1178 CB SER A 96 -1.386 7.944 -6.439 1.00 0.36 C ATOM 1179 OG SER A 96 -1.875 9.197 -6.010 1.00 1.13 O ATOM 0 H SER A 96 -0.524 8.861 -8.547 1.00 0.34 H new ATOM 0 HA SER A 96 0.624 8.540 -5.940 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.928 7.623 -7.329 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.568 7.195 -5.668 1.00 0.36 H new ATOM 0 HG SER A 96 -2.371 9.622 -6.741 1.00 1.13 H new ATOM 1185 N LYS A 97 1.112 6.212 -8.016 1.00 0.36 N ATOM 1186 CA LYS A 97 1.654 4.875 -8.307 1.00 0.43 C ATOM 1187 C LYS A 97 2.923 4.600 -7.510 1.00 0.41 C ATOM 1188 O LYS A 97 3.260 3.448 -7.252 1.00 0.48 O ATOM 1189 CB LYS A 97 1.979 4.757 -9.799 1.00 0.56 C ATOM 1190 CG LYS A 97 0.821 5.093 -10.724 1.00 0.83 C ATOM 1191 CD LYS A 97 -0.246 4.014 -10.753 1.00 1.15 C ATOM 1192 CE LYS A 97 -0.175 3.197 -12.034 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.930 2.198 -12.013 1.00 2.15 N ATOM 0 H LYS A 97 1.053 6.812 -8.839 1.00 0.36 H new ATOM 0 HA LYS A 97 0.895 4.146 -8.023 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.815 5.417 -10.029 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.310 3.739 -10.007 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.371 6.033 -10.407 1.00 0.83 H new ATOM 0 HG3 LYS A 97 1.202 5.247 -11.734 1.00 0.83 H new ATOM 0 HD2 LYS A 97 -0.123 3.356 -9.893 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -1.231 4.472 -10.666 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -1.123 2.682 -12.185 1.00 1.56 H new ATOM 0 HE3 LYS A 97 -0.038 3.868 -12.882 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 0.936 1.668 -12.908 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 1.839 2.689 -11.896 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 0.787 1.539 -11.221 1.00 2.15 H new ATOM 1207 N THR A 98 3.647 5.665 -7.178 1.00 0.40 N ATOM 1208 CA THR A 98 4.900 5.561 -6.445 1.00 0.46 C ATOM 1209 C THR A 98 4.701 5.878 -4.969 1.00 0.41 C ATOM 1210 O THR A 98 5.664 6.081 -4.228 1.00 0.48 O ATOM 1211 CB THR A 98 5.951 6.513 -7.045 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.298 7.684 -7.561 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.738 5.824 -8.154 1.00 1.15 C ATOM 0 H THR A 98 3.380 6.622 -7.410 1.00 0.40 H new ATOM 0 HA THR A 98 5.254 4.534 -6.532 1.00 0.46 H new ATOM 0 HB THR A 98 6.650 6.800 -6.260 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.967 8.291 -7.941 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.474 6.517 -8.562 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.248 4.950 -7.749 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.056 5.512 -8.945 1.00 1.15 H new ATOM 1221 N PHE A 99 3.445 5.936 -4.554 1.00 0.32 N ATOM 1222 CA PHE A 99 3.104 6.113 -3.151 1.00 0.32 C ATOM 1223 C PHE A 99 2.551 4.807 -2.590 1.00 0.30 C ATOM 1224 O PHE A 99 2.339 4.669 -1.383 1.00 0.31 O ATOM 1225 CB PHE A 99 2.080 7.240 -2.992 1.00 0.34 C ATOM 1226 CG PHE A 99 2.653 8.613 -3.226 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.468 9.199 -2.275 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.381 9.311 -4.387 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.998 10.458 -2.474 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.909 10.573 -4.592 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.719 11.146 -3.635 1.00 0.47 C ATOM 0 H PHE A 99 2.639 5.862 -5.175 1.00 0.32 H new ATOM 0 HA PHE A 99 4.002 6.385 -2.596 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.259 7.074 -3.689 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.659 7.198 -1.988 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.693 8.664 -1.364 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.750 8.867 -5.142 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.631 10.903 -1.721 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.686 11.110 -5.502 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.133 12.130 -3.795 1.00 0.47 H new ATOM 1241 N ILE A 100 2.299 3.863 -3.500 1.00 0.32 N ATOM 1242 CA ILE A 100 1.798 2.541 -3.137 1.00 0.32 C ATOM 1243 C ILE A 100 2.911 1.721 -2.500 1.00 0.34 C ATOM 1244 O ILE A 100 3.706 1.088 -3.194 1.00 0.43 O ATOM 1245 CB ILE A 100 1.247 1.776 -4.365 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.201 2.616 -5.088 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.651 0.434 -3.947 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.368 1.939 -6.311 1.00 0.38 C ATOM 0 H ILE A 100 2.436 3.995 -4.502 1.00 0.32 H new ATOM 0 HA ILE A 100 0.982 2.685 -2.429 1.00 0.32 H new ATOM 0 HB ILE A 100 2.076 1.585 -5.046 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.611 2.846 -4.398 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.648 3.566 -5.382 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.270 -0.085 -4.827 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.421 -0.174 -3.472 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.165 0.601 -3.243 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.106 2.591 -6.778 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.434 1.734 -7.020 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.844 1.002 -6.020 1.00 0.38 H new ATOM 1260 N ILE A 101 2.955 1.743 -1.178 1.00 0.32 N ATOM 1261 CA ILE A 101 4.042 1.120 -0.432 1.00 0.35 C ATOM 1262 C ILE A 101 3.791 -0.363 -0.205 1.00 0.36 C ATOM 1263 O ILE A 101 4.706 -1.105 0.147 1.00 0.43 O ATOM 1264 CB ILE A 101 4.251 1.816 0.931 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.942 1.855 1.724 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.787 3.224 0.738 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.077 2.515 3.078 1.00 0.38 C ATOM 0 H ILE A 101 2.247 2.188 -0.594 1.00 0.32 H new ATOM 0 HA ILE A 101 4.942 1.233 -1.036 1.00 0.35 H new ATOM 0 HB ILE A 101 4.983 1.239 1.496 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.190 2.388 1.142 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.578 0.837 1.860 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.927 3.696 1.710 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.742 3.181 0.214 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.077 3.806 0.151 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.112 2.507 3.584 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.806 1.969 3.678 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.411 3.544 2.949 1.00 0.38 H new ATOM 1279 N GLY A 102 2.551 -0.781 -0.377 1.00 0.33 N ATOM 1280 CA GLY A 102 2.229 -2.181 -0.251 1.00 0.39 C ATOM 1281 C GLY A 102 0.739 -2.390 -0.156 1.00 0.35 C ATOM 1282 O GLY A 102 -0.032 -1.582 -0.687 1.00 0.35 O ATOM 0 H GLY A 102 1.762 -0.175 -0.602 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.622 -2.726 -1.109 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.714 -2.590 0.635 1.00 0.39 H new ATOM 1286 N GLU A 103 0.324 -3.449 0.528 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.096 -3.720 0.719 1.00 0.42 C ATOM 1288 C GLU A 103 -1.427 -4.115 2.154 1.00 0.37 C ATOM 1289 O GLU A 103 -0.609 -3.971 3.069 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.596 -4.805 -0.233 1.00 0.52 C ATOM 1291 CG GLU A 103 -2.133 -4.254 -1.541 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.778 -5.323 -2.391 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -3.850 -5.823 -2.005 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.207 -5.674 -3.442 1.00 1.85 O ATOM 0 H GLU A 103 0.947 -4.132 0.958 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.609 -2.784 0.496 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.781 -5.496 -0.445 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.380 -5.379 0.261 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.862 -3.471 -1.331 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.319 -3.791 -2.099 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.637 -4.612 2.324 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.168 -4.997 3.615 1.00 0.42 C ATOM 1303 C LEU A 104 -2.742 -6.425 3.956 1.00 0.42 C ATOM 1304 O LEU A 104 -2.468 -7.211 3.054 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.685 -4.867 3.537 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.417 -4.659 4.854 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -4.714 -3.618 5.707 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -6.847 -4.233 4.575 1.00 1.33 C ATOM 0 H LEU A 104 -3.289 -4.762 1.554 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.783 -4.355 4.407 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.922 -4.031 2.879 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -5.081 -5.766 3.065 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.419 -5.599 5.407 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -5.257 -3.488 6.643 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -3.697 -3.948 5.920 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -4.682 -2.669 5.171 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -7.373 -4.084 5.518 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -6.845 -3.301 4.009 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -7.351 -5.008 3.997 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.672 -6.753 5.244 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.170 -8.054 5.694 1.00 0.53 C ATOM 1322 C HIS A 105 -2.996 -9.198 5.117 1.00 0.60 C ATOM 1323 O HIS A 105 -4.167 -9.018 4.820 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.202 -8.130 7.217 1.00 0.68 C ATOM 1325 CG HIS A 105 -0.978 -8.753 7.819 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -0.997 -9.951 8.500 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.305 -8.317 7.867 1.00 1.68 C ATOM 1328 CE1 HIS A 105 0.216 -10.226 8.936 1.00 2.41 C ATOM 1329 NE2 HIS A 105 1.029 -9.251 8.568 1.00 2.37 N ATOM 0 H HIS A 105 -2.958 -6.132 6.001 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.144 -8.153 5.339 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.321 -7.124 7.619 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.078 -8.702 7.524 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -1.821 -10.534 8.644 1.00 1.82 H new ATOM 0 HD2 HIS A 105 0.687 -7.404 7.434 1.00 1.68 H new ATOM 0 HE1 HIS A 105 0.499 -11.102 9.500 1.00 2.41 H new ATOM 1338 N PRO A 106 -2.394 -10.392 4.959 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.092 -11.593 4.470 1.00 1.00 C ATOM 1340 C PRO A 106 -4.451 -11.835 5.127 1.00 1.18 C ATOM 1341 O PRO A 106 -5.308 -12.521 4.579 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.146 -12.727 4.855 1.00 1.17 C ATOM 1343 CG PRO A 106 -0.788 -12.124 4.897 1.00 1.02 C ATOM 1344 CD PRO A 106 -0.961 -10.659 5.201 1.00 0.79 C ATOM 0 HA PRO A 106 -3.307 -11.503 3.405 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.416 -13.150 5.822 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.192 -13.538 4.128 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.176 -12.606 5.660 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.276 -12.262 3.945 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.685 -10.433 6.231 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.330 -10.044 4.559 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.611 -11.295 6.322 1.00 1.16 N ATOM 1353 CA ASP A 107 -5.781 -11.551 7.157 1.00 1.47 C ATOM 1354 C ASP A 107 -6.794 -10.422 7.026 1.00 1.22 C ATOM 1355 O ASP A 107 -7.981 -10.589 7.297 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.322 -11.658 8.613 1.00 1.90 C ATOM 1357 CG ASP A 107 -3.984 -12.362 8.743 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -3.955 -13.609 8.820 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -2.945 -11.661 8.740 1.00 3.31 O ATOM 0 H ASP A 107 -3.932 -10.663 6.747 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.258 -12.477 6.836 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.248 -10.659 9.043 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.072 -12.199 9.190 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.287 -9.268 6.615 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.056 -8.022 6.571 1.00 1.11 C ATOM 1366 C ASP A 108 -7.464 -7.712 5.138 1.00 1.14 C ATOM 1367 O ASP A 108 -8.497 -7.106 4.868 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.201 -6.873 7.119 1.00 1.39 C ATOM 1369 CG ASP A 108 -5.815 -7.043 8.577 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -6.708 -7.283 9.413 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -4.613 -6.907 8.894 1.00 3.44 O ATOM 0 H ASP A 108 -5.323 -9.164 6.299 1.00 0.95 H new ATOM 0 HA ASP A 108 -7.952 -8.135 7.181 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.295 -6.788 6.520 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.748 -5.937 7.004 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.581 -8.146 4.237 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.651 -7.890 2.804 1.00 1.18 C ATOM 1378 C ARG A 109 -7.877 -8.547 2.174 1.00 1.48 C ATOM 1379 O ARG A 109 -8.541 -7.927 1.350 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.365 -8.423 2.145 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.148 -8.023 0.695 1.00 1.45 C ATOM 1382 CD ARG A 109 -3.947 -8.761 0.121 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.545 -8.264 -1.188 1.00 2.25 N ATOM 1384 CZ ARG A 109 -2.839 -8.972 -2.068 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -2.479 -10.218 -1.791 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.458 -8.417 -3.206 1.00 3.35 N ATOM 0 H ARG A 109 -5.769 -8.706 4.498 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.741 -6.816 2.643 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.511 -8.079 2.728 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.374 -9.511 2.204 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -6.039 -8.252 0.110 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.990 -6.947 0.627 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.108 -8.670 0.811 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.183 -9.822 0.044 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.821 -7.317 -1.446 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -2.743 -10.639 -0.900 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -1.938 -10.755 -2.469 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.705 -7.448 -3.409 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -1.917 -8.958 -3.881 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.168 -9.831 2.506 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.377 -10.508 2.046 1.00 2.09 C ATOM 1402 C PRO A 110 -10.605 -10.183 2.891 1.00 2.31 C ATOM 1403 O PRO A 110 -11.739 -10.302 2.419 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.037 -12.007 2.184 1.00 2.66 C ATOM 1405 CG PRO A 110 -7.606 -12.061 2.599 1.00 2.94 C ATOM 1406 CD PRO A 110 -7.325 -10.754 3.267 1.00 2.39 C ATOM 0 HA PRO A 110 -9.634 -10.197 1.034 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -9.677 -12.487 2.924 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -9.191 -12.532 1.241 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -7.427 -12.894 3.279 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -6.954 -12.208 1.738 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -7.591 -10.771 4.324 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -6.270 -10.485 3.208 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.356 -9.779 4.141 1.00 2.13 N ATOM 1415 CA LYS A 111 -11.413 -9.473 5.110 1.00 2.67 C ATOM 1416 C LYS A 111 -12.229 -10.726 5.441 1.00 3.16 C ATOM 1417 O LYS A 111 -12.075 -11.322 6.510 1.00 3.69 O ATOM 1418 CB LYS A 111 -12.326 -8.356 4.589 1.00 2.87 C ATOM 1419 CG LYS A 111 -11.600 -7.044 4.322 1.00 2.82 C ATOM 1420 CD LYS A 111 -12.557 -5.968 3.824 1.00 3.47 C ATOM 1421 CE LYS A 111 -11.841 -4.648 3.548 1.00 3.97 C ATOM 1422 NZ LYS A 111 -11.413 -3.963 4.798 1.00 4.54 N ATOM 0 H LYS A 111 -9.413 -9.655 4.510 1.00 2.13 H new ATOM 0 HA LYS A 111 -10.937 -9.124 6.027 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -12.804 -8.690 3.668 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -13.120 -8.180 5.315 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -11.112 -6.704 5.236 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -10.815 -7.205 3.583 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -13.047 -6.312 2.913 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -13.340 -5.808 4.566 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -10.968 -4.835 2.922 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -12.502 -3.990 2.984 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -11.412 -2.934 4.647 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -12.072 -4.200 5.567 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -10.455 -4.276 5.055 1.00 4.54 H new ATOM 1436 N LEU A 112 -13.094 -11.120 4.514 1.00 3.28 N ATOM 1437 CA LEU A 112 -13.913 -12.310 4.668 1.00 3.87 C ATOM 1438 C LEU A 112 -13.260 -13.496 3.964 1.00 4.03 C ATOM 1439 O LEU A 112 -13.040 -14.544 4.568 1.00 4.40 O ATOM 1440 CB LEU A 112 -15.318 -12.048 4.100 1.00 4.14 C ATOM 1441 CG LEU A 112 -16.178 -13.293 3.834 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -16.370 -14.115 5.103 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -17.527 -12.892 3.257 1.00 5.13 C ATOM 0 H LEU A 112 -13.245 -10.622 3.637 1.00 3.28 H new ATOM 0 HA LEU A 112 -14.001 -12.550 5.728 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -15.855 -11.401 4.794 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -15.214 -11.496 3.166 1.00 4.14 H new ATOM 0 HG LEU A 112 -15.653 -13.913 3.108 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -16.983 -14.989 4.881 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -15.399 -14.438 5.477 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -16.866 -13.506 5.859 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -18.124 -13.785 3.074 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -18.047 -12.246 3.964 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -17.377 -12.357 2.319 1.00 5.13 H new ATOM 1455 N ASN A 113 -12.958 -13.326 2.683 1.00 4.17 N ATOM 1456 CA ASN A 113 -12.377 -14.407 1.889 1.00 4.65 C ATOM 1457 C ASN A 113 -11.665 -13.856 0.651 1.00 4.52 C ATOM 1458 O ASN A 113 -11.024 -14.593 -0.105 1.00 4.85 O ATOM 1459 CB ASN A 113 -13.489 -15.403 1.480 1.00 5.14 C ATOM 1460 CG ASN A 113 -13.003 -16.569 0.624 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -12.988 -16.495 -0.602 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -12.638 -17.666 1.266 1.00 6.14 N ATOM 0 H ASN A 113 -13.104 -12.456 2.172 1.00 4.17 H new ATOM 0 HA ASN A 113 -11.634 -14.927 2.494 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -13.956 -15.799 2.382 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -14.261 -14.863 0.933 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -12.332 -18.486 0.742 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -12.663 -17.692 2.285 1.00 6.14 H new ATOM 1469 N LYS A 114 -11.725 -12.525 0.501 1.00 4.52 N ATOM 1470 CA LYS A 114 -11.346 -11.856 -0.739 1.00 4.85 C ATOM 1471 C LYS A 114 -12.262 -12.353 -1.852 1.00 5.78 C ATOM 1472 O LYS A 114 -11.854 -13.108 -2.735 1.00 6.19 O ATOM 1473 CB LYS A 114 -9.855 -12.083 -1.052 1.00 4.78 C ATOM 1474 CG LYS A 114 -9.395 -11.625 -2.426 1.00 5.11 C ATOM 1475 CD LYS A 114 -7.992 -12.141 -2.725 1.00 5.22 C ATOM 1476 CE LYS A 114 -7.828 -13.599 -2.307 1.00 6.07 C ATOM 1477 NZ LYS A 114 -8.909 -14.468 -2.850 1.00 6.75 N ATOM 0 H LYS A 114 -12.037 -11.890 1.236 1.00 4.52 H new ATOM 0 HA LYS A 114 -11.470 -10.777 -0.643 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -9.261 -11.565 -0.299 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -9.639 -13.147 -0.952 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -10.089 -11.984 -3.186 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -9.405 -10.536 -2.474 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -7.787 -12.042 -3.791 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -7.259 -11.527 -2.201 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -6.862 -13.967 -2.652 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -7.824 -13.664 -1.219 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -9.548 -14.750 -2.079 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -9.446 -13.945 -3.571 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -8.489 -15.317 -3.280 1.00 6.75 H new ATOM 1491 N PRO A 115 -13.538 -11.935 -1.797 1.00 6.36 N ATOM 1492 CA PRO A 115 -14.571 -12.413 -2.717 1.00 7.42 C ATOM 1493 C PRO A 115 -14.290 -11.999 -4.157 1.00 8.03 C ATOM 1494 O PRO A 115 -14.105 -10.813 -4.437 1.00 8.08 O ATOM 1495 CB PRO A 115 -15.853 -11.738 -2.206 1.00 7.93 C ATOM 1496 CG PRO A 115 -15.384 -10.543 -1.449 1.00 7.30 C ATOM 1497 CD PRO A 115 -14.065 -10.934 -0.848 1.00 6.27 C ATOM 0 HA PRO A 115 -14.629 -13.501 -2.734 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -16.504 -11.452 -3.032 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -16.425 -12.410 -1.567 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -15.274 -9.681 -2.107 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -16.099 -10.264 -0.675 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -13.397 -10.078 -0.755 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -14.187 -11.353 0.151 1.00 6.27 H new ATOM 1505 N PRO A 116 -14.226 -12.972 -5.083 1.00 8.68 N ATOM 1506 CA PRO A 116 -14.025 -12.693 -6.507 1.00 9.51 C ATOM 1507 C PRO A 116 -15.089 -11.747 -7.044 1.00 10.48 C ATOM 1508 O PRO A 116 -14.770 -10.669 -7.545 1.00 10.92 O ATOM 1509 CB PRO A 116 -14.137 -14.072 -7.168 1.00 9.98 C ATOM 1510 CG PRO A 116 -13.807 -15.037 -6.078 1.00 9.58 C ATOM 1511 CD PRO A 116 -14.316 -14.416 -4.810 1.00 8.87 C ATOM 0 HA PRO A 116 -13.072 -12.202 -6.704 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -15.139 -14.244 -7.560 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -13.446 -14.168 -8.006 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -14.279 -16.003 -6.256 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -12.732 -15.212 -6.023 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -15.340 -14.722 -4.594 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -13.710 -14.702 -3.950 1.00 8.87 H new ATOM 1519 N GLU A 117 -16.349 -12.178 -6.934 1.00 10.96 N ATOM 1520 CA GLU A 117 -17.509 -11.343 -7.243 1.00 11.99 C ATOM 1521 C GLU A 117 -18.804 -12.143 -7.086 1.00 12.68 C ATOM 1522 O GLU A 117 -19.388 -12.183 -6.006 1.00 12.96 O ATOM 1523 CB GLU A 117 -17.427 -10.748 -8.652 1.00 12.67 C ATOM 1524 CG GLU A 117 -18.543 -9.764 -8.951 1.00 13.04 C ATOM 1525 CD GLU A 117 -18.542 -9.325 -10.398 1.00 13.71 C ATOM 1526 OE1 GLU A 117 -18.855 -10.153 -11.283 1.00 14.28 O ATOM 1527 OE2 GLU A 117 -18.234 -8.138 -10.648 1.00 13.79 O ATOM 0 H GLU A 117 -16.592 -13.120 -6.627 1.00 10.96 H new ATOM 0 HA GLU A 117 -17.510 -10.516 -6.533 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -16.467 -10.246 -8.772 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -17.458 -11.556 -9.383 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -19.503 -10.222 -8.712 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -18.438 -8.891 -8.308 1.00 13.04 H new ATOM 1534 N THR A 118 -19.230 -12.814 -8.147 1.00 13.09 N ATOM 1535 CA THR A 118 -20.502 -13.517 -8.130 1.00 13.91 C ATOM 1536 C THR A 118 -20.301 -15.016 -7.878 1.00 14.25 C ATOM 1537 O THR A 118 -20.348 -15.825 -8.803 1.00 14.32 O ATOM 1538 CB THR A 118 -21.269 -13.302 -9.455 1.00 14.52 C ATOM 1539 OG1 THR A 118 -21.197 -11.916 -9.841 1.00 14.48 O ATOM 1540 CG2 THR A 118 -22.726 -13.707 -9.302 1.00 14.97 C ATOM 0 H THR A 118 -18.716 -12.886 -9.025 1.00 13.09 H new ATOM 0 HA THR A 118 -21.094 -13.105 -7.313 1.00 13.91 H new ATOM 0 HB THR A 118 -20.809 -13.923 -10.224 1.00 14.52 H new ATOM 0 HG1 THR A 118 -21.683 -11.785 -10.682 1.00 14.48 H new ATOM 0 HG21 THR A 118 -23.249 -13.548 -10.245 1.00 14.97 H new ATOM 0 HG22 THR A 118 -22.784 -14.760 -9.028 1.00 14.97 H new ATOM 0 HG23 THR A 118 -23.192 -13.103 -8.523 1.00 14.97 H new ATOM 1548 N LEU A 119 -20.058 -15.374 -6.621 1.00 14.62 N ATOM 1549 CA LEU A 119 -19.864 -16.777 -6.260 1.00 15.15 C ATOM 1550 C LEU A 119 -20.913 -17.242 -5.257 1.00 15.86 C ATOM 1551 O LEU A 119 -21.965 -17.754 -5.637 1.00 16.21 O ATOM 1552 CB LEU A 119 -18.455 -17.022 -5.694 1.00 15.53 C ATOM 1553 CG LEU A 119 -17.371 -17.370 -6.723 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -17.768 -18.599 -7.528 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -17.092 -16.189 -7.641 1.00 15.51 C ATOM 0 H LEU A 119 -19.991 -14.720 -5.841 1.00 14.62 H new ATOM 0 HA LEU A 119 -19.976 -17.359 -7.175 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -18.142 -16.129 -5.153 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -18.512 -17.832 -4.967 1.00 15.53 H new ATOM 0 HG LEU A 119 -16.453 -17.599 -6.182 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -16.986 -18.828 -8.252 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -17.901 -19.447 -6.856 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -18.703 -18.403 -8.054 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -16.320 -16.462 -8.361 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -18.004 -15.918 -8.172 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -16.751 -15.340 -7.048 1.00 15.51 H new ATOM 1567 N ILE A 120 -20.622 -17.058 -3.977 1.00 16.20 N ATOM 1568 CA ILE A 120 -21.507 -17.509 -2.917 1.00 17.02 C ATOM 1569 C ILE A 120 -22.031 -16.319 -2.122 1.00 17.51 C ATOM 1570 O ILE A 120 -21.257 -15.489 -1.644 1.00 17.80 O ATOM 1571 CB ILE A 120 -20.783 -18.500 -1.967 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -20.276 -19.727 -2.739 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -21.702 -18.930 -0.832 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -21.377 -20.553 -3.378 1.00 18.20 C ATOM 0 H ILE A 120 -19.774 -16.596 -3.648 1.00 16.20 H new ATOM 0 HA ILE A 120 -22.346 -18.028 -3.380 1.00 17.02 H new ATOM 0 HB ILE A 120 -19.923 -17.985 -1.538 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -19.587 -19.395 -3.516 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -19.708 -20.362 -2.059 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -21.173 -19.624 -0.179 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -22.007 -18.054 -0.259 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -22.584 -19.420 -1.244 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -20.937 -21.401 -3.904 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -22.054 -20.917 -2.605 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -21.932 -19.936 -4.085 1.00 18.20 H new ATOM 1586 N THR A 121 -23.346 -16.224 -2.016 1.00 17.74 N ATOM 1587 CA THR A 121 -23.977 -15.177 -1.240 1.00 18.36 C ATOM 1588 C THR A 121 -24.978 -15.793 -0.265 1.00 19.19 C ATOM 1589 O THR A 121 -25.464 -16.905 -0.483 1.00 19.58 O ATOM 1590 CB THR A 121 -24.666 -14.139 -2.159 1.00 18.34 C ATOM 1591 OG1 THR A 121 -25.168 -13.041 -1.380 1.00 18.55 O ATOM 1592 CG2 THR A 121 -25.806 -14.768 -2.953 1.00 18.03 C ATOM 0 H THR A 121 -24.000 -16.867 -2.463 1.00 17.74 H new ATOM 0 HA THR A 121 -23.209 -14.650 -0.673 1.00 18.36 H new ATOM 0 HB THR A 121 -23.919 -13.774 -2.864 1.00 18.34 H new ATOM 0 HG1 THR A 121 -25.600 -12.390 -1.972 1.00 18.55 H new ATOM 0 HG21 THR A 121 -26.268 -14.012 -3.588 1.00 18.03 H new ATOM 0 HG22 THR A 121 -25.415 -15.574 -3.574 1.00 18.03 H new ATOM 0 HG23 THR A 121 -26.551 -15.169 -2.265 1.00 18.03 H new ATOM 1600 N THR A 122 -25.246 -15.090 0.827 1.00 19.55 N ATOM 1601 CA THR A 122 -26.120 -15.601 1.874 1.00 20.46 C ATOM 1602 C THR A 122 -27.477 -14.895 1.851 1.00 21.12 C ATOM 1603 O THR A 122 -27.553 -13.683 1.653 1.00 21.25 O ATOM 1604 CB THR A 122 -25.478 -15.412 3.262 1.00 20.60 C ATOM 1605 OG1 THR A 122 -24.078 -15.723 3.194 1.00 20.58 O ATOM 1606 CG2 THR A 122 -26.154 -16.308 4.285 1.00 20.60 C ATOM 0 H THR A 122 -24.869 -14.160 1.011 1.00 19.55 H new ATOM 0 HA THR A 122 -26.267 -16.664 1.684 1.00 20.46 H new ATOM 0 HB THR A 122 -25.605 -14.374 3.569 1.00 20.60 H new ATOM 0 HG1 THR A 122 -23.672 -15.600 4.078 1.00 20.58 H new ATOM 0 HG21 THR A 122 -25.689 -16.162 5.260 1.00 20.60 H new ATOM 0 HG22 THR A 122 -27.213 -16.056 4.347 1.00 20.60 H new ATOM 0 HG23 THR A 122 -26.046 -17.350 3.984 1.00 20.60 H new ATOM 1614 N ILE A 123 -28.543 -15.655 2.058 1.00 21.64 N ATOM 1615 CA ILE A 123 -29.885 -15.095 2.076 1.00 22.40 C ATOM 1616 C ILE A 123 -30.406 -14.994 3.508 1.00 22.78 C ATOM 1617 O ILE A 123 -29.914 -15.697 4.392 1.00 22.98 O ATOM 1618 CB ILE A 123 -30.876 -15.927 1.225 1.00 23.08 C ATOM 1619 CG1 ILE A 123 -30.799 -17.410 1.598 1.00 23.05 C ATOM 1620 CG2 ILE A 123 -30.610 -15.737 -0.269 1.00 23.52 C ATOM 1621 CD1 ILE A 123 -31.832 -18.258 0.895 1.00 23.60 C ATOM 0 H ILE A 123 -28.504 -16.662 2.216 1.00 21.64 H new ATOM 0 HA ILE A 123 -29.817 -14.099 1.639 1.00 22.40 H new ATOM 0 HB ILE A 123 -31.883 -15.569 1.439 1.00 23.08 H new ATOM 0 HG12 ILE A 123 -29.805 -17.787 1.357 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -30.927 -17.513 2.676 1.00 23.05 H new ATOM 0 HG21 ILE A 123 -31.320 -16.332 -0.844 1.00 23.52 H new ATOM 0 HG22 ILE A 123 -30.726 -14.685 -0.528 1.00 23.52 H new ATOM 0 HG23 ILE A 123 -29.595 -16.059 -0.502 1.00 23.52 H new ATOM 0 HD11 ILE A 123 -31.721 -19.297 1.205 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -32.830 -17.906 1.156 1.00 23.60 H new ATOM 0 HD13 ILE A 123 -31.691 -18.184 -0.183 1.00 23.60 H new ATOM 1633 N ASP A 124 -31.379 -14.113 3.725 1.00 22.96 N ATOM 1634 CA ASP A 124 -31.951 -13.886 5.057 1.00 23.43 C ATOM 1635 C ASP A 124 -32.562 -15.166 5.619 1.00 23.78 C ATOM 1636 O ASP A 124 -31.974 -15.814 6.485 1.00 23.78 O ATOM 1637 CB ASP A 124 -33.004 -12.764 4.988 1.00 23.94 C ATOM 1638 CG ASP A 124 -33.763 -12.567 6.288 1.00 24.17 C ATOM 1639 OD1 ASP A 124 -33.322 -11.763 7.135 1.00 24.20 O ATOM 1640 OD2 ASP A 124 -34.818 -13.206 6.465 1.00 24.41 O ATOM 0 H ASP A 124 -31.793 -13.538 2.991 1.00 22.96 H new ATOM 0 HA ASP A 124 -31.150 -13.580 5.731 1.00 23.43 H new ATOM 0 HB2 ASP A 124 -32.511 -11.830 4.719 1.00 23.94 H new ATOM 0 HB3 ASP A 124 -33.714 -12.991 4.193 1.00 23.94 H new ATOM 1645 N SER A 125 -33.738 -15.527 5.122 1.00 24.16 N ATOM 1646 CA SER A 125 -34.421 -16.741 5.549 1.00 24.63 C ATOM 1647 C SER A 125 -35.303 -17.270 4.411 1.00 24.84 C ATOM 1648 O SER A 125 -35.227 -16.757 3.291 1.00 25.03 O ATOM 1649 CB SER A 125 -35.287 -16.461 6.787 1.00 25.24 C ATOM 1650 OG SER A 125 -34.636 -15.592 7.702 1.00 25.57 O ATOM 0 H SER A 125 -34.242 -14.991 4.416 1.00 24.16 H new ATOM 0 HA SER A 125 -33.672 -17.491 5.805 1.00 24.63 H new ATOM 0 HB2 SER A 125 -36.233 -16.018 6.476 1.00 25.24 H new ATOM 0 HB3 SER A 125 -35.524 -17.401 7.285 1.00 25.24 H new ATOM 0 HG SER A 125 -34.642 -14.679 7.347 1.00 25.57 H new ATOM 1656 N SER A 126 -36.138 -18.275 4.682 1.00 24.89 N ATOM 1657 CA SER A 126 -37.121 -18.724 3.704 1.00 25.18 C ATOM 1658 C SER A 126 -38.143 -17.610 3.464 1.00 25.41 C ATOM 1659 O SER A 126 -38.713 -17.497 2.374 1.00 25.51 O ATOM 1660 CB SER A 126 -37.808 -20.000 4.188 1.00 25.59 C ATOM 1661 OG SER A 126 -36.858 -21.040 4.380 1.00 25.84 O ATOM 0 H SER A 126 -36.151 -18.787 5.564 1.00 24.89 H new ATOM 0 HA SER A 126 -36.620 -18.951 2.763 1.00 25.18 H new ATOM 0 HB2 SER A 126 -38.334 -19.804 5.122 1.00 25.59 H new ATOM 0 HB3 SER A 126 -38.557 -20.314 3.461 1.00 25.59 H new ATOM 0 HG SER A 126 -37.316 -21.848 4.692 1.00 25.84 H new ATOM 1667 N SER A 127 -38.358 -16.810 4.512 1.00 25.58 N ATOM 1668 CA SER A 127 -39.099 -15.545 4.434 1.00 25.89 C ATOM 1669 C SER A 127 -40.616 -15.737 4.326 1.00 26.06 C ATOM 1670 O SER A 127 -41.364 -15.195 5.140 1.00 26.48 O ATOM 1671 CB SER A 127 -38.590 -14.701 3.260 1.00 26.15 C ATOM 1672 OG SER A 127 -37.187 -14.484 3.350 1.00 26.55 O ATOM 0 H SER A 127 -38.019 -17.024 5.450 1.00 25.58 H new ATOM 0 HA SER A 127 -38.916 -15.022 5.373 1.00 25.89 H new ATOM 0 HB2 SER A 127 -38.823 -15.202 2.321 1.00 26.15 H new ATOM 0 HB3 SER A 127 -39.108 -13.742 3.247 1.00 26.15 H new ATOM 0 HG SER A 127 -36.718 -15.340 3.267 1.00 26.55 H new ATOM 1678 N SER A 128 -41.051 -16.510 3.328 1.00 25.83 N ATOM 1679 CA SER A 128 -42.468 -16.689 3.018 1.00 26.03 C ATOM 1680 C SER A 128 -43.055 -15.385 2.478 1.00 25.96 C ATOM 1681 O SER A 128 -43.867 -14.753 3.185 1.00 26.15 O ATOM 1682 CB SER A 128 -43.246 -17.155 4.252 1.00 26.24 C ATOM 1683 OG SER A 128 -42.648 -18.306 4.827 1.00 26.24 O ATOM 1684 OXT SER A 128 -42.663 -14.982 1.362 1.00 25.79 O ATOM 0 H SER A 128 -40.427 -17.030 2.711 1.00 25.83 H new ATOM 0 HA SER A 128 -42.557 -17.461 2.254 1.00 26.03 H new ATOM 0 HB2 SER A 128 -43.280 -16.352 4.989 1.00 26.24 H new ATOM 0 HB3 SER A 128 -44.276 -17.377 3.974 1.00 26.24 H new ATOM 0 HG SER A 128 -43.162 -18.583 5.614 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.300 13.833 -3.165 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -5.614 16.439 -5.365 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.585 12.588 -4.997 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.087 11.046 -1.077 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.051 14.959 -1.324 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.223 14.458 -4.821 1.00 0.41 N HETATM 1697 C1A HEM A 129 -4.541 15.560 -5.555 1.00 0.46 C HETATM 1698 C2A HEM A 129 -3.570 15.670 -6.629 1.00 0.49 C HETATM 1699 C3A HEM A 129 -2.646 14.657 -6.455 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.135 13.824 -5.371 1.00 0.42 C HETATM 1701 CMA HEM A 129 -1.368 14.438 -7.249 1.00 0.54 C HETATM 1702 CAA HEM A 129 -3.620 16.723 -7.726 1.00 0.58 C HETATM 1703 CBA HEM A 129 -4.092 16.449 -9.162 1.00 0.94 C HETATM 1704 CGA HEM A 129 -5.543 16.007 -9.319 1.00 1.22 C HETATM 1705 O1A HEM A 129 -6.415 16.853 -9.017 1.00 2.03 O HETATM 1706 O2A HEM A 129 -5.769 14.849 -9.735 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.017 12.219 -2.993 1.00 0.36 N HETATM 1708 C1B HEM A 129 -2.939 11.963 -3.805 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.189 10.890 -3.206 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.023 10.331 -2.274 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.128 11.224 -2.058 1.00 0.35 C HETATM 1712 CMB HEM A 129 -0.779 10.500 -3.556 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.833 9.010 -1.568 1.00 0.38 C HETATM 1714 CBB HEM A 129 -3.261 7.843 -2.089 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.372 13.132 -1.493 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.085 11.972 -0.814 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.019 11.842 0.276 1.00 0.49 C HETATM 1718 C3C HEM A 129 -7.847 12.941 0.215 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.449 13.761 -0.918 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.055 10.703 1.270 1.00 0.64 C HETATM 1721 CAC HEM A 129 -8.997 13.239 1.169 1.00 0.55 C HETATM 1722 CBC HEM A 129 -8.875 13.278 2.516 1.00 0.66 C HETATM 1723 ND HEM A 129 -6.612 15.391 -3.337 1.00 0.44 N HETATM 1724 C1D HEM A 129 -7.654 15.658 -2.480 1.00 0.47 C HETATM 1725 C2D HEM A 129 -8.324 16.833 -2.987 1.00 0.54 C HETATM 1726 C3D HEM A 129 -7.767 17.112 -4.228 1.00 0.55 C HETATM 1727 C4D HEM A 129 -6.578 16.298 -4.353 1.00 0.49 C HETATM 1728 CMD HEM A 129 -9.426 17.575 -2.265 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.290 18.063 -5.288 1.00 0.65 C HETATM 1730 CBD HEM A 129 -8.779 17.621 -6.671 1.00 1.49 C HETATM 1731 CGD HEM A 129 -10.257 17.228 -6.667 1.00 2.30 C HETATM 1732 O1D HEM A 129 -11.028 17.888 -7.393 1.00 3.20 O HETATM 1733 O2D HEM A 129 -10.590 16.267 -5.938 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -1.497 14.824 -8.260 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.146 13.372 -7.294 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -0.544 14.960 -6.763 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -0.586 10.733 -4.603 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -0.646 9.431 -3.392 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.082 11.053 -2.927 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -7.435 11.066 2.225 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -6.049 10.307 1.406 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -7.708 9.914 0.896 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -9.393 18.630 -2.537 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -9.288 17.474 -1.189 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -10.392 17.157 -2.548 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -3.102 6.912 -1.544 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -3.766 7.830 -3.055 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -9.744 13.498 3.136 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -7.908 13.089 2.981 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -3.451 15.680 -9.593 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -3.944 17.354 -9.750 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -2.610 17.123 -7.809 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.251 17.527 -7.347 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.182 16.775 -7.012 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -8.623 18.430 -7.385 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -7.496 18.789 -5.464 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -9.119 18.602 -4.830 1.00 0.65 H new HETATM 0 HHA HEM A 129 -5.706 17.278 -6.039 1.00 0.50 H new HETATM 0 HHB HEM A 129 -1.870 12.110 -5.650 1.00 0.41 H new HETATM 0 HHC HEM A 129 -5.057 10.142 -0.487 1.00 0.38 H new HETATM 0 HHD HEM A 129 -8.853 15.364 -0.725 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.331 9.000 -0.601 1.00 0.38 H new HETATM 0 HAC HEM A 129 -9.980 13.433 0.739 1.00 0.55 H new