USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 109:sc= -1.49! USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.834 K(o=-0.66,f=-9.6!) USER MOD Set 2.1: A 53 THR OG1 : rot 95:sc= 2.29 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.1 USER MOD Set 2.3: A 81 SER OG : rot 90:sc= 1.21 USER MOD Set 3.1: A 4 THR OG1 : rot -69:sc= 0.706 USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= 0.63 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 166:sc= -0.324 (180deg=-0.729) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -82:sc= 2.14 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -54:sc= -7.13! USER MOD Single : A 20 THR OG1 : rot 50:sc= 1.09 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.507 USER MOD Single : A 35 TYR OH : rot -100:sc= 1.25 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 35:sc= 0.162 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.875) USER MOD Single : A 56 GLN : amide:sc= -7.53! C(o=-7.5!,f=-13!) USER MOD Single : A 57 SER OG : rot -95:sc= 0.811 USER MOD Single : A 59 GLN : amide:sc= -5.89! K(o=-5.9!,f=-3.7) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 66 GLN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 67 MET CE :methyl 166:sc= -0.0401 (180deg=-0.339) USER MOD Single : A 69 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 74 THR OG1 : rot 108:sc= 0.575 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.64! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 86 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.09) USER MOD Single : A 89 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.8) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.996 X(o=-1,f=-0.83) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.942 K(o=-0.94,f=-0.0004) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.142 3.619 8.026 1.00 0.00 N ATOM 2 CA MET A 0 -13.156 3.483 6.963 1.00 0.00 C ATOM 3 C MET A 0 -12.590 4.831 6.556 1.00 0.00 C ATOM 4 O MET A 0 -13.243 5.868 6.691 1.00 0.00 O ATOM 5 CB MET A 0 -13.752 2.769 5.749 1.00 0.00 C ATOM 6 CG MET A 0 -15.151 3.202 5.424 1.00 0.00 C ATOM 7 SD MET A 0 -15.934 2.142 4.195 1.00 0.00 S ATOM 8 CE MET A 0 -17.532 2.932 4.036 1.00 0.00 C ATOM 0 H1 MET A 0 -14.677 2.732 8.119 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.659 3.827 8.923 1.00 0.00 H new ATOM 0 H3 MET A 0 -14.795 4.395 7.796 1.00 0.00 H new ATOM 0 HA MET A 0 -12.339 2.877 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.115 2.949 4.883 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.746 1.694 5.931 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.749 3.200 6.335 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.134 4.228 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 0 -18.135 2.390 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 0 -18.038 2.927 5.001 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.398 3.961 3.702 1.00 0.00 H new ATOM 18 N TYR A 1 -11.369 4.797 6.064 1.00 0.00 N ATOM 19 CA TYR A 1 -10.661 5.999 5.674 1.00 0.00 C ATOM 20 C TYR A 1 -10.605 6.097 4.159 1.00 0.00 C ATOM 21 O TYR A 1 -10.611 5.078 3.463 1.00 0.00 O ATOM 22 CB TYR A 1 -9.243 5.987 6.243 1.00 0.00 C ATOM 23 CG TYR A 1 -9.181 5.810 7.747 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.313 4.554 8.337 1.00 0.00 C ATOM 25 CD2 TYR A 1 -8.986 6.906 8.579 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.246 4.403 9.710 1.00 0.00 C ATOM 27 CE2 TYR A 1 -8.924 6.759 9.951 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.050 5.506 10.510 1.00 0.00 C ATOM 29 OH TYR A 1 -8.990 5.359 11.879 1.00 0.00 O ATOM 0 H TYR A 1 -10.840 3.937 5.923 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.193 6.863 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.680 5.183 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.748 6.921 5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.470 3.687 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.881 7.890 8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.347 3.423 10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.777 7.623 10.583 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.846 6.234 12.296 1.00 0.00 H new ATOM 39 N LYS A 2 -10.550 7.316 3.652 1.00 0.00 N ATOM 40 CA LYS A 2 -10.476 7.534 2.222 1.00 0.00 C ATOM 41 C LYS A 2 -9.036 7.582 1.768 1.00 0.00 C ATOM 42 O LYS A 2 -8.313 8.544 2.023 1.00 0.00 O ATOM 43 CB LYS A 2 -11.206 8.814 1.819 1.00 0.00 C ATOM 44 CG LYS A 2 -12.673 8.592 1.494 1.00 0.00 C ATOM 45 CD LYS A 2 -13.413 9.908 1.290 1.00 0.00 C ATOM 46 CE LYS A 2 -12.865 10.696 0.108 1.00 0.00 C ATOM 47 NZ LYS A 2 -13.480 12.045 0.013 1.00 0.00 N ATOM 0 H LYS A 2 -10.555 8.169 4.211 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.970 6.697 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.126 9.540 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.710 9.249 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.758 7.984 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.144 8.032 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.472 9.707 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.335 10.511 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.784 10.795 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.052 10.145 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.082 12.551 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.509 11.950 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.280 12.580 0.883 1.00 0.00 H new ATOM 61 N VAL A 3 -8.627 6.523 1.110 1.00 0.00 N ATOM 62 CA VAL A 3 -7.286 6.411 0.596 1.00 0.00 C ATOM 63 C VAL A 3 -7.309 6.491 -0.921 1.00 0.00 C ATOM 64 O VAL A 3 -8.025 5.747 -1.593 1.00 0.00 O ATOM 65 CB VAL A 3 -6.604 5.107 1.092 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.616 4.213 1.784 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.904 4.351 -0.027 1.00 0.00 C ATOM 0 H VAL A 3 -9.217 5.714 0.917 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.692 7.243 0.974 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.834 5.401 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.123 3.303 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.041 4.739 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.411 3.954 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.445 3.448 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.631 4.078 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.134 4.984 -0.468 1.00 0.00 H new ATOM 77 N THR A 4 -6.564 7.436 -1.444 1.00 0.00 N ATOM 78 CA THR A 4 -6.445 7.612 -2.868 1.00 0.00 C ATOM 79 C THR A 4 -5.263 6.821 -3.374 1.00 0.00 C ATOM 80 O THR A 4 -4.116 7.217 -3.192 1.00 0.00 O ATOM 81 CB THR A 4 -6.261 9.092 -3.220 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.299 9.866 -2.601 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.296 9.303 -4.726 1.00 0.00 C ATOM 0 H THR A 4 -6.024 8.103 -0.893 1.00 0.00 H new ATOM 0 HA THR A 4 -7.360 7.256 -3.341 1.00 0.00 H new ATOM 0 HB THR A 4 -5.288 9.415 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.159 9.657 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.163 10.362 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.494 8.731 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.256 8.968 -5.118 1.00 0.00 H new ATOM 91 N LEU A 5 -5.530 5.705 -4.006 1.00 0.00 N ATOM 92 CA LEU A 5 -4.467 4.871 -4.480 1.00 0.00 C ATOM 93 C LEU A 5 -4.000 5.366 -5.816 1.00 0.00 C ATOM 94 O LEU A 5 -4.786 5.540 -6.746 1.00 0.00 O ATOM 95 CB LEU A 5 -4.884 3.408 -4.551 1.00 0.00 C ATOM 96 CG LEU A 5 -4.846 2.686 -3.205 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.211 2.129 -2.863 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.804 1.579 -3.223 1.00 0.00 C ATOM 0 H LEU A 5 -6.470 5.359 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.642 4.927 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.894 3.348 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.229 2.887 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.567 3.406 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.165 1.618 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.933 2.944 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.520 1.423 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.791 1.076 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.051 0.859 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.822 2.007 -3.422 1.00 0.00 H new ATOM 110 N LYS A 6 -2.715 5.601 -5.901 1.00 0.00 N ATOM 111 CA LYS A 6 -2.126 6.102 -7.086 1.00 0.00 C ATOM 112 C LYS A 6 -1.614 4.928 -7.896 1.00 0.00 C ATOM 113 O LYS A 6 -0.639 4.261 -7.529 1.00 0.00 O ATOM 114 CB LYS A 6 -0.988 7.023 -6.684 1.00 0.00 C ATOM 115 CG LYS A 6 -0.783 8.169 -7.626 1.00 0.00 C ATOM 116 CD LYS A 6 -1.826 9.263 -7.431 1.00 0.00 C ATOM 117 CE LYS A 6 -1.443 10.209 -6.304 1.00 0.00 C ATOM 118 NZ LYS A 6 -2.335 11.399 -6.242 1.00 0.00 N ATOM 0 H LYS A 6 -2.057 5.445 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.842 6.659 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.184 7.415 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.067 6.444 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.213 8.587 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.826 7.806 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.940 9.827 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.793 8.810 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.485 9.676 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.412 10.536 -6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.037 12.016 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.277 11.924 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.316 11.090 -6.085 1.00 0.00 H new ATOM 132 N THR A 7 -2.319 4.653 -8.970 1.00 0.00 N ATOM 133 CA THR A 7 -1.993 3.541 -9.833 1.00 0.00 C ATOM 134 C THR A 7 -1.286 4.063 -11.072 1.00 0.00 C ATOM 135 O THR A 7 -1.371 5.252 -11.386 1.00 0.00 O ATOM 136 CB THR A 7 -3.262 2.759 -10.255 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.975 3.480 -11.263 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.187 2.519 -9.068 1.00 0.00 C ATOM 0 H THR A 7 -3.132 5.192 -9.269 1.00 0.00 H new ATOM 0 HA THR A 7 -1.344 2.859 -9.283 1.00 0.00 H new ATOM 0 HB THR A 7 -2.938 1.795 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.537 4.163 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.068 1.968 -9.398 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.661 1.941 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.495 3.476 -8.647 1.00 0.00 H new ATOM 146 N PRO A 8 -0.570 3.184 -11.780 1.00 0.00 N ATOM 147 CA PRO A 8 0.103 3.538 -13.031 1.00 0.00 C ATOM 148 C PRO A 8 -0.884 3.967 -14.120 1.00 0.00 C ATOM 149 O PRO A 8 -0.483 4.489 -15.161 1.00 0.00 O ATOM 150 CB PRO A 8 0.823 2.254 -13.444 1.00 0.00 C ATOM 151 CG PRO A 8 0.826 1.374 -12.238 1.00 0.00 C ATOM 152 CD PRO A 8 -0.345 1.785 -11.404 1.00 0.00 C ATOM 0 HA PRO A 8 0.774 4.387 -12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.312 1.771 -14.277 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.840 2.466 -13.774 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.748 0.325 -12.524 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.756 1.484 -11.681 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.220 1.169 -11.612 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.132 1.686 -10.340 1.00 0.00 H new ATOM 160 N SER A 9 -2.171 3.731 -13.876 1.00 0.00 N ATOM 161 CA SER A 9 -3.213 4.117 -14.803 1.00 0.00 C ATOM 162 C SER A 9 -3.917 5.398 -14.344 1.00 0.00 C ATOM 163 O SER A 9 -4.335 6.216 -15.165 1.00 0.00 O ATOM 164 CB SER A 9 -4.220 2.977 -14.914 1.00 0.00 C ATOM 165 OG SER A 9 -3.576 1.765 -15.275 1.00 0.00 O ATOM 0 H SER A 9 -2.512 3.269 -13.033 1.00 0.00 H new ATOM 0 HA SER A 9 -2.765 4.317 -15.776 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.737 2.849 -13.963 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.977 3.226 -15.657 1.00 0.00 H new ATOM 0 HG SER A 9 -4.241 1.048 -15.339 1.00 0.00 H new ATOM 171 N GLY A 10 -4.025 5.577 -13.031 1.00 0.00 N ATOM 172 CA GLY A 10 -4.681 6.754 -12.491 1.00 0.00 C ATOM 173 C GLY A 10 -5.123 6.571 -11.047 1.00 0.00 C ATOM 174 O GLY A 10 -5.505 5.471 -10.638 1.00 0.00 O ATOM 0 H GLY A 10 -3.669 4.927 -12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.002 7.604 -12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.549 6.994 -13.105 1.00 0.00 H new ATOM 178 N ASP A 11 -5.060 7.648 -10.273 1.00 0.00 N ATOM 179 CA ASP A 11 -5.472 7.634 -8.868 1.00 0.00 C ATOM 180 C ASP A 11 -6.948 7.274 -8.722 1.00 0.00 C ATOM 181 O ASP A 11 -7.767 7.568 -9.595 1.00 0.00 O ATOM 182 CB ASP A 11 -5.216 9.006 -8.229 1.00 0.00 C ATOM 183 CG ASP A 11 -6.282 10.032 -8.578 1.00 0.00 C ATOM 184 OD1 ASP A 11 -6.170 10.682 -9.638 1.00 0.00 O ATOM 185 OD2 ASP A 11 -7.239 10.198 -7.791 1.00 0.00 O ATOM 0 H ASP A 11 -4.723 8.555 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.881 6.873 -8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.169 8.893 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.243 9.376 -8.553 1.00 0.00 H new ATOM 190 N LYS A 12 -7.269 6.619 -7.619 1.00 0.00 N ATOM 191 CA LYS A 12 -8.645 6.294 -7.277 1.00 0.00 C ATOM 192 C LYS A 12 -8.801 6.241 -5.767 1.00 0.00 C ATOM 193 O LYS A 12 -7.992 5.629 -5.072 1.00 0.00 O ATOM 194 CB LYS A 12 -9.041 4.950 -7.872 1.00 0.00 C ATOM 195 CG LYS A 12 -10.465 4.504 -7.539 1.00 0.00 C ATOM 196 CD LYS A 12 -11.504 5.247 -8.359 1.00 0.00 C ATOM 197 CE LYS A 12 -11.465 4.834 -9.822 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.547 5.486 -10.604 1.00 0.00 N ATOM 0 H LYS A 12 -6.584 6.297 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.294 7.067 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.934 5.001 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.344 4.191 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.560 3.433 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.657 4.667 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.496 5.052 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.332 6.320 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.497 5.097 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.563 3.751 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.490 5.181 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.471 5.215 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.439 6.519 -10.552 1.00 0.00 H new ATOM 212 N THR A 13 -9.834 6.883 -5.271 1.00 0.00 N ATOM 213 CA THR A 13 -10.110 6.899 -3.848 1.00 0.00 C ATOM 214 C THR A 13 -11.002 5.750 -3.446 1.00 0.00 C ATOM 215 O THR A 13 -12.087 5.553 -3.996 1.00 0.00 O ATOM 216 CB THR A 13 -10.765 8.216 -3.439 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.906 9.313 -3.786 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.055 8.241 -1.944 1.00 0.00 C ATOM 0 H THR A 13 -10.504 7.406 -5.836 1.00 0.00 H new ATOM 0 HA THR A 13 -9.155 6.795 -3.333 1.00 0.00 H new ATOM 0 HB THR A 13 -11.711 8.309 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.330 10.156 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.521 9.190 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.729 7.423 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.123 8.128 -1.391 1.00 0.00 H new ATOM 226 N ILE A 14 -10.519 4.998 -2.488 1.00 0.00 N ATOM 227 CA ILE A 14 -11.244 3.893 -1.940 1.00 0.00 C ATOM 228 C ILE A 14 -11.616 4.196 -0.493 1.00 0.00 C ATOM 229 O ILE A 14 -11.114 5.157 0.099 1.00 0.00 O ATOM 230 CB ILE A 14 -10.387 2.621 -1.976 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.219 2.747 -1.019 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.852 2.373 -3.359 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.710 1.420 -0.513 1.00 0.00 C ATOM 0 H ILE A 14 -9.601 5.143 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.144 3.737 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.022 1.786 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.405 3.273 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.520 3.360 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.248 1.466 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.683 2.255 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.237 3.218 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.874 1.586 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.510 0.901 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.378 0.813 -1.355 1.00 0.00 H new ATOM 245 N GLU A 15 -12.480 3.378 0.070 1.00 0.00 N ATOM 246 CA GLU A 15 -12.831 3.489 1.473 1.00 0.00 C ATOM 247 C GLU A 15 -12.392 2.225 2.188 1.00 0.00 C ATOM 248 O GLU A 15 -13.073 1.200 2.137 1.00 0.00 O ATOM 249 CB GLU A 15 -14.336 3.697 1.637 1.00 0.00 C ATOM 250 CG GLU A 15 -14.849 4.969 0.986 1.00 0.00 C ATOM 251 CD GLU A 15 -16.343 5.139 1.145 1.00 0.00 C ATOM 252 OE1 GLU A 15 -17.103 4.346 0.551 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.767 6.065 1.867 1.00 0.00 O ATOM 0 H GLU A 15 -12.956 2.624 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.325 4.352 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.861 2.843 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.577 3.720 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.340 5.828 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.599 4.957 -0.075 1.00 0.00 H new ATOM 260 N CYS A 16 -11.248 2.298 2.846 1.00 0.00 N ATOM 261 CA CYS A 16 -10.689 1.142 3.506 1.00 0.00 C ATOM 262 C CYS A 16 -10.960 1.205 4.999 1.00 0.00 C ATOM 263 O CYS A 16 -10.487 2.112 5.687 1.00 0.00 O ATOM 264 CB CYS A 16 -9.193 1.062 3.253 1.00 0.00 C ATOM 265 SG CYS A 16 -8.532 -0.600 3.415 1.00 0.00 S ATOM 0 H CYS A 16 -10.691 3.148 2.935 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.163 0.249 3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.981 1.434 2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.678 1.720 3.953 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.865 -1.088 4.573 1.00 0.00 H new ATOM 271 N PRO A 17 -11.761 0.260 5.506 1.00 0.00 N ATOM 272 CA PRO A 17 -12.099 0.181 6.928 1.00 0.00 C ATOM 273 C PRO A 17 -10.872 -0.016 7.806 1.00 0.00 C ATOM 274 O PRO A 17 -9.825 -0.473 7.348 1.00 0.00 O ATOM 275 CB PRO A 17 -13.008 -1.046 7.021 1.00 0.00 C ATOM 276 CG PRO A 17 -13.523 -1.249 5.642 1.00 0.00 C ATOM 277 CD PRO A 17 -12.424 -0.799 4.727 1.00 0.00 C ATOM 0 HA PRO A 17 -12.564 1.102 7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.457 -1.920 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.823 -0.881 7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.773 -2.295 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.432 -0.672 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.740 -1.613 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.814 -0.421 3.782 1.00 0.00 H new ATOM 285 N ALA A 18 -11.038 0.293 9.079 1.00 0.00 N ATOM 286 CA ALA A 18 -9.959 0.229 10.052 1.00 0.00 C ATOM 287 C ALA A 18 -9.689 -1.209 10.484 1.00 0.00 C ATOM 288 O ALA A 18 -8.978 -1.454 11.459 1.00 0.00 O ATOM 289 CB ALA A 18 -10.285 1.098 11.253 1.00 0.00 C ATOM 0 H ALA A 18 -11.929 0.597 9.471 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.052 0.608 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.470 1.042 11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.414 2.131 10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.206 0.746 11.718 1.00 0.00 H new ATOM 295 N ASP A 19 -10.308 -2.149 9.784 1.00 0.00 N ATOM 296 CA ASP A 19 -10.123 -3.569 10.060 1.00 0.00 C ATOM 297 C ASP A 19 -9.863 -4.359 8.778 1.00 0.00 C ATOM 298 O ASP A 19 -9.454 -5.517 8.826 1.00 0.00 O ATOM 299 CB ASP A 19 -11.353 -4.147 10.761 1.00 0.00 C ATOM 300 CG ASP A 19 -12.624 -3.988 9.943 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.822 -4.756 8.975 1.00 0.00 O ATOM 302 OD2 ASP A 19 -13.428 -3.085 10.259 1.00 0.00 O ATOM 0 H ASP A 19 -10.948 -1.953 9.014 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.253 -3.659 10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.187 -5.205 10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.482 -3.654 11.725 1.00 0.00 H new ATOM 307 N THR A 20 -10.091 -3.727 7.641 1.00 0.00 N ATOM 308 CA THR A 20 -10.007 -4.398 6.360 1.00 0.00 C ATOM 309 C THR A 20 -8.861 -3.824 5.543 1.00 0.00 C ATOM 310 O THR A 20 -8.779 -2.615 5.368 1.00 0.00 O ATOM 311 CB THR A 20 -11.335 -4.238 5.597 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.367 -4.985 6.255 1.00 0.00 O ATOM 313 CG2 THR A 20 -11.210 -4.683 4.147 1.00 0.00 C ATOM 0 H THR A 20 -10.338 -2.739 7.581 1.00 0.00 H new ATOM 0 HA THR A 20 -9.820 -5.459 6.527 1.00 0.00 H new ATOM 0 HB THR A 20 -11.594 -3.179 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.368 -4.769 7.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.168 -4.554 3.643 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.453 -4.081 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.920 -5.733 4.112 1.00 0.00 H new ATOM 321 N TYR A 21 -7.980 -4.693 5.055 1.00 0.00 N ATOM 322 CA TYR A 21 -6.777 -4.253 4.351 1.00 0.00 C ATOM 323 C TYR A 21 -7.097 -3.612 3.002 1.00 0.00 C ATOM 324 O TYR A 21 -8.061 -3.996 2.331 1.00 0.00 O ATOM 325 CB TYR A 21 -5.778 -5.404 4.182 1.00 0.00 C ATOM 326 CG TYR A 21 -6.387 -6.790 4.178 1.00 0.00 C ATOM 327 CD1 TYR A 21 -7.211 -7.217 3.145 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.117 -7.680 5.211 1.00 0.00 C ATOM 329 CE1 TYR A 21 -7.750 -8.488 3.144 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.649 -8.953 5.214 1.00 0.00 C ATOM 331 CZ TYR A 21 -7.464 -9.352 4.178 1.00 0.00 C ATOM 332 OH TYR A 21 -7.994 -10.621 4.177 1.00 0.00 O ATOM 0 H TYR A 21 -8.076 -5.705 5.134 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.314 -3.486 4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.237 -5.260 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.045 -5.349 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.434 -6.544 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.480 -7.370 6.026 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.393 -8.804 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.428 -9.632 6.024 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.693 -11.102 4.976 1.00 0.00 H new ATOM 342 N ILE A 22 -6.261 -2.642 2.622 1.00 0.00 N ATOM 343 CA ILE A 22 -6.508 -1.758 1.480 1.00 0.00 C ATOM 344 C ILE A 22 -6.942 -2.505 0.227 1.00 0.00 C ATOM 345 O ILE A 22 -7.926 -2.117 -0.390 1.00 0.00 O ATOM 346 CB ILE A 22 -5.262 -0.895 1.172 1.00 0.00 C ATOM 347 CG1 ILE A 22 -5.050 0.105 2.312 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.434 -0.162 -0.152 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.598 0.373 2.672 1.00 0.00 C ATOM 0 H ILE A 22 -5.384 -2.446 3.104 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.337 -1.113 1.772 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.388 -1.541 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.521 1.049 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.566 -0.263 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.548 0.440 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.569 -0.887 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.309 0.486 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.553 1.093 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.122 -0.557 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.076 0.776 1.804 1.00 0.00 H new ATOM 361 N LEU A 23 -6.250 -3.591 -0.124 1.00 0.00 N ATOM 362 CA LEU A 23 -6.473 -4.244 -1.418 1.00 0.00 C ATOM 363 C LEU A 23 -7.918 -4.699 -1.638 1.00 0.00 C ATOM 364 O LEU A 23 -8.324 -4.899 -2.776 1.00 0.00 O ATOM 365 CB LEU A 23 -5.502 -5.411 -1.675 1.00 0.00 C ATOM 366 CG LEU A 23 -5.274 -6.406 -0.530 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.550 -7.138 -0.157 1.00 0.00 C ATOM 368 CD2 LEU A 23 -4.208 -7.408 -0.935 1.00 0.00 C ATOM 0 H LEU A 23 -5.540 -4.033 0.460 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.267 -3.463 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.867 -5.968 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.536 -4.990 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.947 -5.843 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.346 -7.833 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.303 -6.417 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.919 -7.690 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.046 -8.115 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.534 -7.947 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.278 -6.882 -1.150 1.00 0.00 H new ATOM 380 N ASP A 24 -8.693 -4.855 -0.570 1.00 0.00 N ATOM 381 CA ASP A 24 -10.092 -5.266 -0.704 1.00 0.00 C ATOM 382 C ASP A 24 -10.914 -4.124 -1.292 1.00 0.00 C ATOM 383 O ASP A 24 -11.654 -4.290 -2.265 1.00 0.00 O ATOM 384 CB ASP A 24 -10.665 -5.677 0.650 1.00 0.00 C ATOM 385 CG ASP A 24 -11.933 -6.493 0.518 1.00 0.00 C ATOM 386 OD1 ASP A 24 -13.011 -5.899 0.308 1.00 0.00 O ATOM 387 OD2 ASP A 24 -11.855 -7.737 0.622 1.00 0.00 O ATOM 0 H ASP A 24 -8.383 -4.706 0.390 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.138 -6.125 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.920 -6.255 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.871 -4.784 1.240 1.00 0.00 H new ATOM 392 N ALA A 25 -10.770 -2.959 -0.695 1.00 0.00 N ATOM 393 CA ALA A 25 -11.401 -1.752 -1.201 1.00 0.00 C ATOM 394 C ALA A 25 -10.704 -1.296 -2.476 1.00 0.00 C ATOM 395 O ALA A 25 -11.315 -0.696 -3.358 1.00 0.00 O ATOM 396 CB ALA A 25 -11.364 -0.680 -0.131 1.00 0.00 C ATOM 0 H ALA A 25 -10.216 -2.819 0.150 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.443 -1.953 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.837 0.227 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.900 -1.029 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.329 -0.466 0.134 1.00 0.00 H new ATOM 402 N ALA A 26 -9.420 -1.605 -2.558 1.00 0.00 N ATOM 403 CA ALA A 26 -8.606 -1.271 -3.711 1.00 0.00 C ATOM 404 C ALA A 26 -9.163 -1.905 -4.990 1.00 0.00 C ATOM 405 O ALA A 26 -9.340 -1.229 -6.005 1.00 0.00 O ATOM 406 CB ALA A 26 -7.180 -1.723 -3.484 1.00 0.00 C ATOM 0 H ALA A 26 -8.913 -2.097 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.626 -0.189 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.575 -1.469 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.776 -1.224 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.160 -2.802 -3.331 1.00 0.00 H new ATOM 412 N GLU A 27 -9.450 -3.210 -4.934 1.00 0.00 N ATOM 413 CA GLU A 27 -9.986 -3.924 -6.081 1.00 0.00 C ATOM 414 C GLU A 27 -11.403 -3.463 -6.381 1.00 0.00 C ATOM 415 O GLU A 27 -11.808 -3.400 -7.541 1.00 0.00 O ATOM 416 CB GLU A 27 -9.959 -5.436 -5.846 1.00 0.00 C ATOM 417 CG GLU A 27 -10.487 -5.866 -4.488 1.00 0.00 C ATOM 418 CD GLU A 27 -11.053 -7.273 -4.483 1.00 0.00 C ATOM 419 OE1 GLU A 27 -10.267 -8.237 -4.585 1.00 0.00 O ATOM 420 OE2 GLU A 27 -12.285 -7.418 -4.353 1.00 0.00 O ATOM 0 H GLU A 27 -9.317 -3.787 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.356 -3.701 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.548 -5.923 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.934 -5.791 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.682 -5.803 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.262 -5.169 -4.170 1.00 0.00 H new ATOM 427 N GLU A 28 -12.146 -3.136 -5.327 1.00 0.00 N ATOM 428 CA GLU A 28 -13.492 -2.595 -5.476 1.00 0.00 C ATOM 429 C GLU A 28 -13.451 -1.330 -6.323 1.00 0.00 C ATOM 430 O GLU A 28 -14.250 -1.139 -7.240 1.00 0.00 O ATOM 431 CB GLU A 28 -14.074 -2.253 -4.105 1.00 0.00 C ATOM 432 CG GLU A 28 -15.534 -2.653 -3.933 1.00 0.00 C ATOM 433 CD GLU A 28 -16.421 -2.140 -5.052 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.786 -0.946 -5.030 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.752 -2.929 -5.961 1.00 0.00 O ATOM 0 H GLU A 28 -11.837 -3.237 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.116 -3.345 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.480 -2.747 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.980 -1.180 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.605 -3.740 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.901 -2.270 -2.981 1.00 0.00 H new ATOM 442 N ALA A 29 -12.487 -0.489 -6.004 1.00 0.00 N ATOM 443 CA ALA A 29 -12.313 0.798 -6.664 1.00 0.00 C ATOM 444 C ALA A 29 -11.961 0.656 -8.142 1.00 0.00 C ATOM 445 O ALA A 29 -12.245 1.552 -8.939 1.00 0.00 O ATOM 446 CB ALA A 29 -11.239 1.565 -5.948 1.00 0.00 C ATOM 0 H ALA A 29 -11.797 -0.676 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.262 1.333 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.098 2.531 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.532 1.718 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.306 1.003 -5.982 1.00 0.00 H new ATOM 452 N GLY A 30 -11.338 -0.458 -8.504 1.00 0.00 N ATOM 453 CA GLY A 30 -11.066 -0.720 -9.903 1.00 0.00 C ATOM 454 C GLY A 30 -9.592 -0.690 -10.240 1.00 0.00 C ATOM 455 O GLY A 30 -9.224 -0.496 -11.398 1.00 0.00 O ATOM 0 H GLY A 30 -11.018 -1.180 -7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.473 -1.696 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.586 0.019 -10.512 1.00 0.00 H new ATOM 459 N LEU A 31 -8.741 -0.870 -9.243 1.00 0.00 N ATOM 460 CA LEU A 31 -7.305 -0.845 -9.473 1.00 0.00 C ATOM 461 C LEU A 31 -6.809 -2.207 -9.929 1.00 0.00 C ATOM 462 O LEU A 31 -7.263 -3.239 -9.433 1.00 0.00 O ATOM 463 CB LEU A 31 -6.572 -0.464 -8.196 1.00 0.00 C ATOM 464 CG LEU A 31 -7.286 0.548 -7.314 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.440 0.850 -6.106 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.601 1.824 -8.070 1.00 0.00 C ATOM 0 H LEU A 31 -9.016 -1.034 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.106 -0.107 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.396 -1.369 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.595 -0.062 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.234 0.115 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.953 1.576 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.271 -0.067 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.482 1.261 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.111 2.523 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.674 2.273 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.244 1.594 -8.919 1.00 0.00 H new ATOM 478 N ASP A 32 -5.870 -2.205 -10.858 1.00 0.00 N ATOM 479 CA ASP A 32 -5.200 -3.429 -11.275 1.00 0.00 C ATOM 480 C ASP A 32 -4.052 -3.720 -10.314 1.00 0.00 C ATOM 481 O ASP A 32 -2.886 -3.810 -10.694 1.00 0.00 O ATOM 482 CB ASP A 32 -4.694 -3.302 -12.715 1.00 0.00 C ATOM 483 CG ASP A 32 -3.987 -4.553 -13.207 1.00 0.00 C ATOM 484 OD1 ASP A 32 -4.607 -5.637 -13.193 1.00 0.00 O ATOM 485 OD2 ASP A 32 -2.801 -4.460 -13.606 1.00 0.00 O ATOM 0 H ASP A 32 -5.551 -1.366 -11.342 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.906 -4.259 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.536 -3.085 -13.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.011 -2.455 -12.781 1.00 0.00 H new ATOM 490 N LEU A 33 -4.402 -3.820 -9.047 1.00 0.00 N ATOM 491 CA LEU A 33 -3.435 -4.052 -7.998 1.00 0.00 C ATOM 492 C LEU A 33 -3.153 -5.543 -7.870 1.00 0.00 C ATOM 493 O LEU A 33 -4.077 -6.345 -7.758 1.00 0.00 O ATOM 494 CB LEU A 33 -3.978 -3.490 -6.685 1.00 0.00 C ATOM 495 CG LEU A 33 -2.932 -2.943 -5.713 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.606 -2.035 -4.704 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.199 -4.071 -5.000 1.00 0.00 C ATOM 0 H LEU A 33 -5.364 -3.742 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.499 -3.549 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.683 -2.692 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.540 -4.276 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.195 -2.374 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.861 -1.645 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.087 -1.206 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.356 -2.600 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.462 -3.651 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.914 -4.672 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.695 -4.699 -5.735 1.00 0.00 H new ATOM 509 N PRO A 34 -1.873 -5.930 -7.925 1.00 0.00 N ATOM 510 CA PRO A 34 -1.455 -7.325 -7.762 1.00 0.00 C ATOM 511 C PRO A 34 -1.627 -7.826 -6.330 1.00 0.00 C ATOM 512 O PRO A 34 -1.192 -7.177 -5.380 1.00 0.00 O ATOM 513 CB PRO A 34 0.030 -7.287 -8.128 1.00 0.00 C ATOM 514 CG PRO A 34 0.447 -5.898 -7.802 1.00 0.00 C ATOM 515 CD PRO A 34 -0.724 -5.039 -8.169 1.00 0.00 C ATOM 0 HA PRO A 34 -2.052 -8.001 -8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.600 -8.019 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.187 -7.513 -9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.692 -5.799 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.336 -5.612 -8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.773 -4.139 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.677 -4.715 -9.209 1.00 0.00 H new ATOM 523 N TYR A 35 -2.278 -8.969 -6.186 1.00 0.00 N ATOM 524 CA TYR A 35 -2.377 -9.640 -4.899 1.00 0.00 C ATOM 525 C TYR A 35 -2.586 -11.132 -5.115 1.00 0.00 C ATOM 526 O TYR A 35 -3.285 -11.544 -6.041 1.00 0.00 O ATOM 527 CB TYR A 35 -3.503 -9.049 -4.035 1.00 0.00 C ATOM 528 CG TYR A 35 -4.864 -9.009 -4.699 1.00 0.00 C ATOM 529 CD1 TYR A 35 -5.235 -7.927 -5.485 1.00 0.00 C ATOM 530 CD2 TYR A 35 -5.779 -10.041 -4.530 1.00 0.00 C ATOM 531 CE1 TYR A 35 -6.476 -7.874 -6.087 1.00 0.00 C ATOM 532 CE2 TYR A 35 -7.023 -9.995 -5.131 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.364 -8.909 -5.908 1.00 0.00 C ATOM 534 OH TYR A 35 -8.602 -8.852 -6.504 1.00 0.00 O ATOM 0 H TYR A 35 -2.749 -9.454 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.444 -9.483 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.580 -9.631 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.226 -8.035 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.541 -7.112 -5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.514 -10.892 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.748 -7.024 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.724 -10.805 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.268 -8.562 -5.847 1.00 0.00 H new ATOM 544 N SER A 36 -1.969 -11.937 -4.268 1.00 0.00 N ATOM 545 CA SER A 36 -2.021 -13.379 -4.416 1.00 0.00 C ATOM 546 C SER A 36 -2.411 -14.047 -3.098 1.00 0.00 C ATOM 547 O SER A 36 -3.532 -14.537 -2.950 1.00 0.00 O ATOM 548 CB SER A 36 -0.665 -13.896 -4.913 1.00 0.00 C ATOM 549 OG SER A 36 -0.681 -15.298 -5.118 1.00 0.00 O ATOM 0 H SER A 36 -1.425 -11.614 -3.468 1.00 0.00 H new ATOM 0 HA SER A 36 -2.784 -13.632 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.404 -13.395 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.109 -13.643 -4.188 1.00 0.00 H new ATOM 0 HG SER A 36 0.198 -15.592 -5.436 1.00 0.00 H new ATOM 555 N CYS A 37 -1.496 -14.041 -2.137 1.00 0.00 N ATOM 556 CA CYS A 37 -1.731 -14.682 -0.852 1.00 0.00 C ATOM 557 C CYS A 37 -2.724 -13.883 -0.022 1.00 0.00 C ATOM 558 O CYS A 37 -3.531 -14.445 0.725 1.00 0.00 O ATOM 559 CB CYS A 37 -0.413 -14.813 -0.083 1.00 0.00 C ATOM 560 SG CYS A 37 0.354 -13.223 0.333 1.00 0.00 S ATOM 0 H CYS A 37 -0.582 -13.597 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.146 -15.673 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.594 -15.370 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.287 -15.399 -0.678 1.00 0.00 H new ATOM 565 N ARG A 38 -2.638 -12.557 -0.168 1.00 0.00 N ATOM 566 CA ARG A 38 -3.426 -11.616 0.617 1.00 0.00 C ATOM 567 C ARG A 38 -3.037 -11.738 2.087 1.00 0.00 C ATOM 568 O ARG A 38 -3.806 -11.397 2.987 1.00 0.00 O ATOM 569 CB ARG A 38 -4.928 -11.853 0.418 1.00 0.00 C ATOM 570 CG ARG A 38 -5.776 -10.615 0.653 1.00 0.00 C ATOM 571 CD ARG A 38 -7.254 -10.911 0.474 1.00 0.00 C ATOM 572 NE ARG A 38 -7.790 -11.705 1.577 1.00 0.00 N ATOM 573 CZ ARG A 38 -8.729 -12.638 1.441 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.201 -12.946 0.241 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.184 -13.272 2.512 1.00 0.00 N ATOM 0 H ARG A 38 -2.014 -12.109 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.215 -10.602 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.099 -12.213 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.256 -12.641 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.599 -10.237 1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.475 -9.829 -0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.805 -9.974 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.406 -11.445 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.420 -11.533 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.844 -12.467 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.921 -13.662 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.815 -13.044 3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.904 -13.988 2.413 1.00 0.00 H new ATOM 589 N ALA A 39 -1.822 -12.230 2.311 1.00 0.00 N ATOM 590 CA ALA A 39 -1.327 -12.495 3.651 1.00 0.00 C ATOM 591 C ALA A 39 0.134 -12.079 3.787 1.00 0.00 C ATOM 592 O ALA A 39 0.835 -12.527 4.693 1.00 0.00 O ATOM 593 CB ALA A 39 -1.494 -13.968 3.986 1.00 0.00 C ATOM 0 H ALA A 39 -1.158 -12.454 1.570 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.911 -11.903 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.120 -14.157 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.549 -14.235 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.932 -14.570 3.271 1.00 0.00 H new ATOM 599 N GLY A 40 0.592 -11.234 2.871 1.00 0.00 N ATOM 600 CA GLY A 40 1.933 -10.682 2.965 1.00 0.00 C ATOM 601 C GLY A 40 3.031 -11.725 2.825 1.00 0.00 C ATOM 602 O GLY A 40 4.044 -11.659 3.523 1.00 0.00 O ATOM 0 H GLY A 40 0.057 -10.919 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.061 -9.926 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.043 -10.177 3.925 1.00 0.00 H new ATOM 606 N ALA A 41 2.843 -12.681 1.923 1.00 0.00 N ATOM 607 CA ALA A 41 3.851 -13.708 1.683 1.00 0.00 C ATOM 608 C ALA A 41 4.861 -13.244 0.635 1.00 0.00 C ATOM 609 O ALA A 41 5.885 -13.890 0.411 1.00 0.00 O ATOM 610 CB ALA A 41 3.194 -15.010 1.251 1.00 0.00 C ATOM 0 H ALA A 41 2.005 -12.767 1.347 1.00 0.00 H new ATOM 0 HA ALA A 41 4.386 -13.884 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.961 -15.764 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.518 -15.354 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.631 -14.846 0.332 1.00 0.00 H new ATOM 616 N CYS A 42 4.564 -12.125 -0.003 1.00 0.00 N ATOM 617 CA CYS A 42 5.468 -11.520 -0.964 1.00 0.00 C ATOM 618 C CYS A 42 5.534 -10.012 -0.733 1.00 0.00 C ATOM 619 O CYS A 42 4.830 -9.480 0.127 1.00 0.00 O ATOM 620 CB CYS A 42 5.029 -11.852 -2.400 1.00 0.00 C ATOM 621 SG CYS A 42 3.266 -11.601 -2.751 1.00 0.00 S ATOM 0 H CYS A 42 3.692 -11.612 0.130 1.00 0.00 H new ATOM 0 HA CYS A 42 6.468 -11.930 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.610 -11.241 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.279 -12.892 -2.607 1.00 0.00 H new ATOM 626 N SER A 43 6.401 -9.331 -1.469 1.00 0.00 N ATOM 627 CA SER A 43 6.588 -7.898 -1.289 1.00 0.00 C ATOM 628 C SER A 43 6.271 -7.129 -2.569 1.00 0.00 C ATOM 629 O SER A 43 6.513 -5.923 -2.657 1.00 0.00 O ATOM 630 CB SER A 43 8.022 -7.615 -0.835 1.00 0.00 C ATOM 631 OG SER A 43 8.958 -8.313 -1.644 1.00 0.00 O ATOM 0 H SER A 43 6.985 -9.746 -2.195 1.00 0.00 H new ATOM 0 HA SER A 43 5.894 -7.557 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.219 -6.544 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.143 -7.912 0.207 1.00 0.00 H new ATOM 0 HG SER A 43 9.867 -8.116 -1.337 1.00 0.00 H new ATOM 637 N SER A 44 5.710 -7.827 -3.549 1.00 0.00 N ATOM 638 CA SER A 44 5.376 -7.221 -4.833 1.00 0.00 C ATOM 639 C SER A 44 4.136 -6.339 -4.718 1.00 0.00 C ATOM 640 O SER A 44 3.938 -5.403 -5.496 1.00 0.00 O ATOM 641 CB SER A 44 5.143 -8.319 -5.872 1.00 0.00 C ATOM 642 OG SER A 44 4.290 -9.331 -5.357 1.00 0.00 O ATOM 0 H SER A 44 5.476 -8.817 -3.479 1.00 0.00 H new ATOM 0 HA SER A 44 6.209 -6.592 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.701 -7.888 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.097 -8.757 -6.165 1.00 0.00 H new ATOM 0 HG SER A 44 3.620 -8.925 -4.768 1.00 0.00 H new ATOM 648 N CYS A 45 3.316 -6.644 -3.731 1.00 0.00 N ATOM 649 CA CYS A 45 2.046 -5.972 -3.542 1.00 0.00 C ATOM 650 C CYS A 45 2.126 -4.927 -2.436 1.00 0.00 C ATOM 651 O CYS A 45 1.107 -4.462 -1.929 1.00 0.00 O ATOM 652 CB CYS A 45 1.008 -7.029 -3.200 1.00 0.00 C ATOM 653 SG CYS A 45 1.746 -8.668 -2.997 1.00 0.00 S ATOM 0 H CYS A 45 3.512 -7.365 -3.037 1.00 0.00 H new ATOM 0 HA CYS A 45 1.772 -5.445 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.494 -6.747 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.256 -7.066 -3.988 1.00 0.00 H new ATOM 658 N ALA A 46 3.339 -4.558 -2.049 1.00 0.00 N ATOM 659 CA ALA A 46 3.509 -3.558 -1.013 1.00 0.00 C ATOM 660 C ALA A 46 3.414 -2.155 -1.608 1.00 0.00 C ATOM 661 O ALA A 46 4.294 -1.726 -2.361 1.00 0.00 O ATOM 662 CB ALA A 46 4.837 -3.762 -0.293 1.00 0.00 C ATOM 0 H ALA A 46 4.207 -4.932 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 46 2.708 -3.668 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.951 -3.004 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.856 -4.752 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.655 -3.676 -1.008 1.00 0.00 H new ATOM 668 N GLY A 47 2.360 -1.435 -1.234 1.00 0.00 N ATOM 669 CA GLY A 47 2.118 -0.113 -1.781 1.00 0.00 C ATOM 670 C GLY A 47 3.007 0.937 -1.160 1.00 0.00 C ATOM 671 O GLY A 47 3.826 0.634 -0.298 1.00 0.00 O ATOM 0 H GLY A 47 1.665 -1.748 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.281 -0.133 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.074 0.158 -1.622 1.00 0.00 H new ATOM 675 N LYS A 48 2.893 2.169 -1.626 1.00 0.00 N ATOM 676 CA LYS A 48 3.688 3.267 -1.097 1.00 0.00 C ATOM 677 C LYS A 48 2.790 4.307 -0.465 1.00 0.00 C ATOM 678 O LYS A 48 1.829 4.759 -1.078 1.00 0.00 O ATOM 679 CB LYS A 48 4.497 3.948 -2.205 1.00 0.00 C ATOM 680 CG LYS A 48 5.714 3.203 -2.708 1.00 0.00 C ATOM 681 CD LYS A 48 5.575 1.703 -2.601 1.00 0.00 C ATOM 682 CE LYS A 48 6.476 1.156 -1.525 1.00 0.00 C ATOM 683 NZ LYS A 48 6.551 -0.328 -1.576 1.00 0.00 N ATOM 0 H LYS A 48 2.254 2.436 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 48 4.367 2.848 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.833 4.127 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.820 4.923 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.893 3.472 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.588 3.522 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.539 1.444 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.822 1.242 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.476 1.575 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.108 1.469 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.562 -0.709 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.724 -0.700 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.420 -0.615 -2.071 1.00 0.00 H new ATOM 697 N VAL A 49 3.110 4.704 0.743 1.00 0.00 N ATOM 698 CA VAL A 49 2.398 5.796 1.369 1.00 0.00 C ATOM 699 C VAL A 49 2.854 7.107 0.736 1.00 0.00 C ATOM 700 O VAL A 49 3.979 7.569 0.935 1.00 0.00 O ATOM 701 CB VAL A 49 2.563 5.810 2.922 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.674 7.224 3.468 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.376 5.132 3.573 1.00 0.00 C ATOM 0 H VAL A 49 3.852 4.293 1.310 1.00 0.00 H new ATOM 0 HA VAL A 49 1.331 5.661 1.195 1.00 0.00 H new ATOM 0 HB VAL A 49 3.484 5.276 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.787 7.188 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.541 7.717 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.773 7.783 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.498 5.146 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.462 5.662 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.312 4.100 3.228 1.00 0.00 H new ATOM 713 N ALA A 50 1.993 7.649 -0.098 1.00 0.00 N ATOM 714 CA ALA A 50 2.235 8.921 -0.739 1.00 0.00 C ATOM 715 C ALA A 50 1.728 10.026 0.164 1.00 0.00 C ATOM 716 O ALA A 50 2.221 11.154 0.159 1.00 0.00 O ATOM 717 CB ALA A 50 1.508 8.943 -2.065 1.00 0.00 C ATOM 0 H ALA A 50 1.104 7.218 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 50 3.300 9.069 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.682 9.898 -2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.878 8.135 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.439 8.812 -1.896 1.00 0.00 H new ATOM 723 N ALA A 51 0.720 9.664 0.933 1.00 0.00 N ATOM 724 CA ALA A 51 0.102 10.545 1.892 1.00 0.00 C ATOM 725 C ALA A 51 -0.501 9.714 3.001 1.00 0.00 C ATOM 726 O ALA A 51 -0.681 8.510 2.829 1.00 0.00 O ATOM 727 CB ALA A 51 -0.988 11.348 1.221 1.00 0.00 C ATOM 0 H ALA A 51 0.304 8.733 0.905 1.00 0.00 H new ATOM 0 HA ALA A 51 0.850 11.226 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.452 12.012 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.559 11.940 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.741 10.672 0.816 1.00 0.00 H new ATOM 733 N GLY A 52 -0.815 10.346 4.119 1.00 0.00 N ATOM 734 CA GLY A 52 -1.526 9.666 5.180 1.00 0.00 C ATOM 735 C GLY A 52 -0.735 8.533 5.801 1.00 0.00 C ATOM 736 O GLY A 52 0.483 8.458 5.646 1.00 0.00 O ATOM 0 H GLY A 52 -0.589 11.322 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.784 10.387 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.463 9.272 4.786 1.00 0.00 H new ATOM 740 N THR A 53 -1.431 7.649 6.505 1.00 0.00 N ATOM 741 CA THR A 53 -0.791 6.518 7.152 1.00 0.00 C ATOM 742 C THR A 53 -1.644 5.264 7.034 1.00 0.00 C ATOM 743 O THR A 53 -2.827 5.329 6.685 1.00 0.00 O ATOM 744 CB THR A 53 -0.529 6.787 8.643 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.761 7.117 9.302 1.00 0.00 O ATOM 746 CG2 THR A 53 0.469 7.917 8.831 1.00 0.00 C ATOM 0 H THR A 53 -2.441 7.697 6.641 1.00 0.00 H new ATOM 0 HA THR A 53 0.160 6.370 6.641 1.00 0.00 H new ATOM 0 HB THR A 53 -0.108 5.882 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.143 6.309 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.634 8.084 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.413 7.652 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.077 8.828 8.378 1.00 0.00 H new ATOM 754 N VAL A 54 -1.036 4.130 7.345 1.00 0.00 N ATOM 755 CA VAL A 54 -1.692 2.834 7.274 1.00 0.00 C ATOM 756 C VAL A 54 -1.208 1.956 8.429 1.00 0.00 C ATOM 757 O VAL A 54 -0.214 2.283 9.078 1.00 0.00 O ATOM 758 CB VAL A 54 -1.360 2.118 5.953 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.777 2.944 4.740 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.124 1.799 5.908 1.00 0.00 C ATOM 0 H VAL A 54 -0.066 4.083 7.656 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.768 2.996 7.334 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.929 1.189 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.525 2.403 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.852 3.121 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.252 3.899 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.359 1.292 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.697 2.724 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.383 1.152 6.746 1.00 0.00 H new ATOM 770 N ASP A 55 -1.901 0.856 8.691 1.00 0.00 N ATOM 771 CA ASP A 55 -1.428 -0.119 9.667 1.00 0.00 C ATOM 772 C ASP A 55 -0.870 -1.331 8.949 1.00 0.00 C ATOM 773 O ASP A 55 -1.610 -2.232 8.561 1.00 0.00 O ATOM 774 CB ASP A 55 -2.537 -0.566 10.621 1.00 0.00 C ATOM 775 CG ASP A 55 -1.989 -1.430 11.747 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.474 -0.866 12.731 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.050 -2.673 11.648 1.00 0.00 O ATOM 0 H ASP A 55 -2.787 0.617 8.245 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.651 0.364 10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.032 0.310 11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.292 -1.124 10.067 1.00 0.00 H new ATOM 782 N GLN A 56 0.435 -1.340 8.773 1.00 0.00 N ATOM 783 CA GLN A 56 1.107 -2.421 8.074 1.00 0.00 C ATOM 784 C GLN A 56 2.029 -3.160 9.028 1.00 0.00 C ATOM 785 O GLN A 56 3.227 -3.304 8.789 1.00 0.00 O ATOM 786 CB GLN A 56 1.879 -1.880 6.877 1.00 0.00 C ATOM 787 CG GLN A 56 2.719 -0.666 7.210 1.00 0.00 C ATOM 788 CD GLN A 56 3.806 -0.428 6.203 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.253 -1.351 5.525 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.255 0.809 6.123 1.00 0.00 N ATOM 0 H GLN A 56 1.058 -0.605 9.107 1.00 0.00 H new ATOM 0 HA GLN A 56 0.361 -3.123 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.526 -2.665 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.176 -1.621 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.077 0.213 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.164 -0.795 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.848 1.538 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.009 1.037 5.475 1.00 0.00 H new ATOM 799 N SER A 57 1.440 -3.626 10.110 1.00 0.00 N ATOM 800 CA SER A 57 2.161 -4.341 11.150 1.00 0.00 C ATOM 801 C SER A 57 2.538 -5.760 10.710 1.00 0.00 C ATOM 802 O SER A 57 3.146 -6.514 11.471 1.00 0.00 O ATOM 803 CB SER A 57 1.286 -4.382 12.402 1.00 0.00 C ATOM 804 OG SER A 57 -0.061 -4.692 12.064 1.00 0.00 O ATOM 0 H SER A 57 0.443 -3.520 10.296 1.00 0.00 H new ATOM 0 HA SER A 57 3.095 -3.818 11.358 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.672 -5.127 13.098 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.326 -3.419 12.911 1.00 0.00 H new ATOM 0 HG SER A 57 -0.574 -3.862 11.969 1.00 0.00 H new ATOM 810 N ASP A 58 2.182 -6.113 9.478 1.00 0.00 N ATOM 811 CA ASP A 58 2.352 -7.477 8.995 1.00 0.00 C ATOM 812 C ASP A 58 3.761 -7.745 8.463 1.00 0.00 C ATOM 813 O ASP A 58 4.574 -8.359 9.152 1.00 0.00 O ATOM 814 CB ASP A 58 1.320 -7.792 7.913 1.00 0.00 C ATOM 815 CG ASP A 58 1.383 -9.238 7.467 1.00 0.00 C ATOM 816 OD1 ASP A 58 0.837 -10.106 8.181 1.00 0.00 O ATOM 817 OD2 ASP A 58 1.981 -9.514 6.410 1.00 0.00 O ATOM 0 H ASP A 58 1.774 -5.472 8.797 1.00 0.00 H new ATOM 0 HA ASP A 58 2.199 -8.133 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.321 -7.573 8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.486 -7.141 7.055 1.00 0.00 H new ATOM 822 N GLN A 59 4.052 -7.285 7.244 1.00 0.00 N ATOM 823 CA GLN A 59 5.309 -7.634 6.580 1.00 0.00 C ATOM 824 C GLN A 59 6.508 -7.061 7.332 1.00 0.00 C ATOM 825 O GLN A 59 6.472 -5.935 7.827 1.00 0.00 O ATOM 826 CB GLN A 59 5.317 -7.175 5.112 1.00 0.00 C ATOM 827 CG GLN A 59 5.413 -5.669 4.908 1.00 0.00 C ATOM 828 CD GLN A 59 5.562 -5.294 3.442 1.00 0.00 C ATOM 829 OE1 GLN A 59 6.086 -6.066 2.642 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.129 -4.094 3.078 1.00 0.00 N ATOM 0 H GLN A 59 3.440 -6.676 6.701 1.00 0.00 H new ATOM 0 HA GLN A 59 5.390 -8.721 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.156 -7.649 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.408 -7.534 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.521 -5.192 5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.264 -5.282 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.698 -3.477 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.227 -3.789 2.110 1.00 0.00 H new ATOM 839 N SER A 60 7.565 -7.857 7.420 1.00 0.00 N ATOM 840 CA SER A 60 8.728 -7.513 8.222 1.00 0.00 C ATOM 841 C SER A 60 9.778 -6.747 7.423 1.00 0.00 C ATOM 842 O SER A 60 10.477 -5.893 7.974 1.00 0.00 O ATOM 843 CB SER A 60 9.334 -8.790 8.800 1.00 0.00 C ATOM 844 OG SER A 60 9.429 -9.798 7.804 1.00 0.00 O ATOM 0 H SER A 60 7.639 -8.754 6.940 1.00 0.00 H new ATOM 0 HA SER A 60 8.399 -6.855 9.026 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.324 -8.578 9.205 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.721 -9.147 9.628 1.00 0.00 H new ATOM 0 HG SER A 60 9.821 -10.607 8.194 1.00 0.00 H new ATOM 850 N PHE A 61 9.888 -7.056 6.130 1.00 0.00 N ATOM 851 CA PHE A 61 10.885 -6.422 5.268 1.00 0.00 C ATOM 852 C PHE A 61 10.649 -4.914 5.201 1.00 0.00 C ATOM 853 O PHE A 61 11.591 -4.122 5.223 1.00 0.00 O ATOM 854 CB PHE A 61 10.843 -7.050 3.867 1.00 0.00 C ATOM 855 CG PHE A 61 11.923 -6.572 2.931 1.00 0.00 C ATOM 856 CD1 PHE A 61 13.198 -6.286 3.397 1.00 0.00 C ATOM 857 CD2 PHE A 61 11.660 -6.411 1.579 1.00 0.00 C ATOM 858 CE1 PHE A 61 14.185 -5.848 2.534 1.00 0.00 C ATOM 859 CE2 PHE A 61 12.643 -5.974 0.712 1.00 0.00 C ATOM 860 CZ PHE A 61 13.907 -5.692 1.190 1.00 0.00 C ATOM 0 H PHE A 61 9.299 -7.741 5.657 1.00 0.00 H new ATOM 0 HA PHE A 61 11.877 -6.588 5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.920 -8.133 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.872 -6.839 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.422 -6.407 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.673 -6.630 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.173 -5.628 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.423 -5.853 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.677 -5.350 0.514 1.00 0.00 H new ATOM 870 N LEU A 62 9.386 -4.527 5.127 1.00 0.00 N ATOM 871 CA LEU A 62 9.008 -3.124 5.205 1.00 0.00 C ATOM 872 C LEU A 62 9.076 -2.688 6.667 1.00 0.00 C ATOM 873 O LEU A 62 8.290 -3.149 7.495 1.00 0.00 O ATOM 874 CB LEU A 62 7.592 -2.947 4.633 1.00 0.00 C ATOM 875 CG LEU A 62 7.126 -1.523 4.302 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.223 -0.591 5.497 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.903 -0.979 3.123 1.00 0.00 C ATOM 0 H LEU A 62 8.601 -5.168 5.012 1.00 0.00 H new ATOM 0 HA LEU A 62 9.687 -2.504 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.522 -3.542 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.887 -3.372 5.347 1.00 0.00 H new ATOM 0 HG LEU A 62 6.071 -1.577 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.882 0.404 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.598 -0.970 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.258 -0.537 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.563 0.032 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.965 -0.959 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.741 -1.618 2.255 1.00 0.00 H new ATOM 889 N ASP A 63 10.021 -1.819 6.988 1.00 0.00 N ATOM 890 CA ASP A 63 10.203 -1.381 8.365 1.00 0.00 C ATOM 891 C ASP A 63 9.566 -0.015 8.590 1.00 0.00 C ATOM 892 O ASP A 63 9.063 0.600 7.647 1.00 0.00 O ATOM 893 CB ASP A 63 11.687 -1.304 8.718 1.00 0.00 C ATOM 894 CG ASP A 63 11.970 -1.769 10.130 1.00 0.00 C ATOM 895 OD1 ASP A 63 11.614 -1.045 11.080 1.00 0.00 O ATOM 896 OD2 ASP A 63 12.543 -2.866 10.301 1.00 0.00 O ATOM 0 H ASP A 63 10.671 -1.405 6.320 1.00 0.00 H new ATOM 0 HA ASP A 63 9.716 -2.114 9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.256 -1.914 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.033 -0.277 8.601 1.00 0.00 H new ATOM 901 N ASP A 64 9.612 0.472 9.824 1.00 0.00 N ATOM 902 CA ASP A 64 9.110 1.793 10.149 1.00 0.00 C ATOM 903 C ASP A 64 9.831 2.836 9.310 1.00 0.00 C ATOM 904 O ASP A 64 9.242 3.825 8.868 1.00 0.00 O ATOM 905 CB ASP A 64 9.335 2.080 11.628 1.00 0.00 C ATOM 906 CG ASP A 64 8.406 1.302 12.537 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.251 1.739 12.729 1.00 0.00 O ATOM 908 OD2 ASP A 64 8.830 0.256 13.073 1.00 0.00 O ATOM 0 H ASP A 64 9.996 -0.037 10.620 1.00 0.00 H new ATOM 0 HA ASP A 64 8.042 1.833 9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.367 1.841 11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.200 3.146 11.809 1.00 0.00 H new ATOM 913 N ALA A 65 11.110 2.573 9.081 1.00 0.00 N ATOM 914 CA ALA A 65 11.959 3.422 8.265 1.00 0.00 C ATOM 915 C ALA A 65 11.382 3.582 6.871 1.00 0.00 C ATOM 916 O ALA A 65 11.298 4.686 6.339 1.00 0.00 O ATOM 917 CB ALA A 65 13.347 2.813 8.183 1.00 0.00 C ATOM 0 H ALA A 65 11.589 1.757 9.461 1.00 0.00 H new ATOM 0 HA ALA A 65 12.016 4.408 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.987 3.448 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.768 2.731 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.283 1.822 7.734 1.00 0.00 H new ATOM 923 N GLN A 66 10.972 2.468 6.287 1.00 0.00 N ATOM 924 CA GLN A 66 10.403 2.475 4.961 1.00 0.00 C ATOM 925 C GLN A 66 9.078 3.229 4.946 1.00 0.00 C ATOM 926 O GLN A 66 8.793 3.949 4.001 1.00 0.00 O ATOM 927 CB GLN A 66 10.202 1.045 4.485 1.00 0.00 C ATOM 928 CG GLN A 66 11.439 0.179 4.630 1.00 0.00 C ATOM 929 CD GLN A 66 12.570 0.607 3.718 1.00 0.00 C ATOM 930 OE1 GLN A 66 13.383 1.464 4.067 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.645 -0.014 2.557 1.00 0.00 N ATOM 0 H GLN A 66 11.026 1.545 6.718 1.00 0.00 H new ATOM 0 HA GLN A 66 11.090 2.985 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.385 0.595 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.898 1.058 3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.781 0.213 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.178 -0.857 4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.949 -0.718 2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.399 0.209 1.907 1.00 0.00 H new ATOM 940 N MET A 67 8.276 3.086 5.999 1.00 0.00 N ATOM 941 CA MET A 67 7.000 3.785 6.061 1.00 0.00 C ATOM 942 C MET A 67 7.217 5.284 6.248 1.00 0.00 C ATOM 943 O MET A 67 6.447 6.093 5.736 1.00 0.00 O ATOM 944 CB MET A 67 6.111 3.235 7.173 1.00 0.00 C ATOM 945 CG MET A 67 4.675 3.718 7.059 1.00 0.00 C ATOM 946 SD MET A 67 3.581 3.022 8.315 1.00 0.00 S ATOM 947 CE MET A 67 4.284 3.715 9.810 1.00 0.00 C ATOM 0 H MET A 67 8.485 2.501 6.808 1.00 0.00 H new ATOM 0 HA MET A 67 6.489 3.619 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.128 2.146 7.143 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.516 3.534 8.140 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.658 4.805 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.291 3.462 6.071 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.584 3.585 10.635 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.219 3.205 10.043 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.478 4.777 9.662 1.00 0.00 H new ATOM 957 N GLY A 68 8.280 5.647 6.962 1.00 0.00 N ATOM 958 CA GLY A 68 8.648 7.048 7.081 1.00 0.00 C ATOM 959 C GLY A 68 9.160 7.587 5.761 1.00 0.00 C ATOM 960 O GLY A 68 9.171 8.793 5.519 1.00 0.00 O ATOM 0 H GLY A 68 8.891 4.999 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.784 7.629 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.415 7.163 7.847 1.00 0.00 H new ATOM 964 N ASN A 69 9.591 6.669 4.912 1.00 0.00 N ATOM 965 CA ASN A 69 10.004 6.982 3.553 1.00 0.00 C ATOM 966 C ASN A 69 8.799 6.989 2.621 1.00 0.00 C ATOM 967 O ASN A 69 8.870 7.461 1.487 1.00 0.00 O ATOM 968 CB ASN A 69 11.024 5.952 3.075 1.00 0.00 C ATOM 969 CG ASN A 69 12.451 6.358 3.348 1.00 0.00 C ATOM 970 OD1 ASN A 69 13.103 6.992 2.518 1.00 0.00 O ATOM 971 ND2 ASN A 69 12.950 5.995 4.510 1.00 0.00 N ATOM 0 H ASN A 69 9.665 5.679 5.147 1.00 0.00 H new ATOM 0 HA ASN A 69 10.459 7.972 3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.824 4.999 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.897 5.794 2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.911 6.238 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.376 5.470 5.170 1.00 0.00 H new ATOM 978 N GLY A 70 7.691 6.454 3.116 1.00 0.00 N ATOM 979 CA GLY A 70 6.470 6.398 2.339 1.00 0.00 C ATOM 980 C GLY A 70 6.281 5.057 1.667 1.00 0.00 C ATOM 981 O GLY A 70 5.747 4.979 0.565 1.00 0.00 O ATOM 0 H GLY A 70 7.617 6.054 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.618 6.600 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.487 7.182 1.582 1.00 0.00 H new ATOM 985 N PHE A 71 6.748 3.997 2.308 1.00 0.00 N ATOM 986 CA PHE A 71 6.619 2.653 1.765 1.00 0.00 C ATOM 987 C PHE A 71 5.831 1.779 2.726 1.00 0.00 C ATOM 988 O PHE A 71 6.079 1.795 3.929 1.00 0.00 O ATOM 989 CB PHE A 71 8.006 2.059 1.486 1.00 0.00 C ATOM 990 CG PHE A 71 8.866 2.950 0.634 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.299 3.678 -0.391 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.228 3.059 0.853 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.056 4.503 -1.188 1.00 0.00 C ATOM 994 CE2 PHE A 71 11.002 3.885 0.058 1.00 0.00 C ATOM 995 CZ PHE A 71 10.414 4.611 -0.964 1.00 0.00 C ATOM 0 H PHE A 71 7.222 4.042 3.210 1.00 0.00 H new ATOM 0 HA PHE A 71 6.076 2.698 0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.512 1.872 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.889 1.095 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.237 3.598 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.690 2.495 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.591 5.064 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.065 3.964 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.016 5.259 -1.584 1.00 0.00 H new ATOM 1005 N VAL A 72 4.869 1.029 2.196 1.00 0.00 N ATOM 1006 CA VAL A 72 3.880 0.347 3.023 1.00 0.00 C ATOM 1007 C VAL A 72 3.446 -0.992 2.414 1.00 0.00 C ATOM 1008 O VAL A 72 3.968 -1.414 1.386 1.00 0.00 O ATOM 1009 CB VAL A 72 2.647 1.251 3.228 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.046 2.527 3.930 1.00 0.00 C ATOM 1011 CG2 VAL A 72 1.983 1.555 1.891 1.00 0.00 C ATOM 0 H VAL A 72 4.754 0.878 1.194 1.00 0.00 H new ATOM 0 HA VAL A 72 4.348 0.138 3.985 1.00 0.00 H new ATOM 0 HB VAL A 72 1.927 0.725 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.167 3.156 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.478 2.288 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.782 3.059 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.115 2.194 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.693 2.065 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.666 0.624 1.422 1.00 0.00 H new ATOM 1021 N LEU A 73 2.530 -1.676 3.093 1.00 0.00 N ATOM 1022 CA LEU A 73 1.988 -2.953 2.629 1.00 0.00 C ATOM 1023 C LEU A 73 0.528 -2.795 2.220 1.00 0.00 C ATOM 1024 O LEU A 73 -0.228 -2.104 2.887 1.00 0.00 O ATOM 1025 CB LEU A 73 2.089 -4.006 3.737 1.00 0.00 C ATOM 1026 CG LEU A 73 1.521 -5.385 3.385 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.291 -6.010 2.231 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.556 -6.294 4.601 1.00 0.00 C ATOM 0 H LEU A 73 2.141 -1.362 3.982 1.00 0.00 H new ATOM 0 HA LEU A 73 2.570 -3.276 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.138 -4.122 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.570 -3.632 4.619 1.00 0.00 H new ATOM 0 HG LEU A 73 0.485 -5.259 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.869 -6.988 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.218 -5.367 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.338 -6.124 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.150 -7.270 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.586 -6.409 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.958 -5.856 5.400 1.00 0.00 H new ATOM 1040 N THR A 74 0.146 -3.383 1.096 1.00 0.00 N ATOM 1041 CA THR A 74 -1.254 -3.379 0.689 1.00 0.00 C ATOM 1042 C THR A 74 -1.968 -4.668 1.119 1.00 0.00 C ATOM 1043 O THR A 74 -3.168 -4.656 1.395 1.00 0.00 O ATOM 1044 CB THR A 74 -1.388 -3.211 -0.834 1.00 0.00 C ATOM 1045 OG1 THR A 74 -0.458 -2.226 -1.295 1.00 0.00 O ATOM 1046 CG2 THR A 74 -2.800 -2.786 -1.209 1.00 0.00 C ATOM 0 H THR A 74 0.777 -3.864 0.455 1.00 0.00 H new ATOM 0 HA THR A 74 -1.725 -2.532 1.187 1.00 0.00 H new ATOM 0 HB THR A 74 -1.175 -4.170 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.268 -2.666 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.871 -2.673 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.509 -3.544 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.033 -1.835 -0.729 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.218 -5.771 1.182 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.810 -7.097 1.379 1.00 0.00 C ATOM 1056 C CYS A 75 -2.480 -7.243 2.748 1.00 0.00 C ATOM 1057 O CYS A 75 -3.635 -7.654 2.834 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.746 -8.184 1.197 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.190 -9.464 -0.007 1.00 0.00 S ATOM 0 H CYS A 75 -0.201 -5.773 1.100 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.588 -7.215 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.187 -7.715 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.557 -8.657 2.161 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.765 -6.900 3.810 1.00 0.00 N ATOM 1065 CA VAL A 76 -2.314 -6.998 5.158 1.00 0.00 C ATOM 1066 C VAL A 76 -2.101 -5.681 5.891 1.00 0.00 C ATOM 1067 O VAL A 76 -1.462 -5.620 6.942 1.00 0.00 O ATOM 1068 CB VAL A 76 -1.685 -8.158 5.969 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -2.457 -8.406 7.259 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -1.624 -9.429 5.140 1.00 0.00 C ATOM 0 H VAL A 76 -0.807 -6.553 3.767 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.379 -7.210 5.064 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.668 -7.866 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.994 -9.225 7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.442 -7.504 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.489 -8.666 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.178 -10.228 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.632 -9.717 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.018 -9.255 4.251 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.609 -4.618 5.298 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.486 -3.296 5.873 1.00 0.00 C ATOM 1082 C ALA A 77 -3.605 -2.402 5.386 1.00 0.00 C ATOM 1083 O ALA A 77 -4.034 -2.505 4.237 1.00 0.00 O ATOM 1084 CB ALA A 77 -1.149 -2.686 5.522 1.00 0.00 C ATOM 0 H ALA A 77 -3.114 -4.647 4.412 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.555 -3.388 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.075 -1.692 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.349 -3.316 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.057 -2.610 4.439 1.00 0.00 H new ATOM 1090 N TYR A 78 -4.082 -1.543 6.263 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.123 -0.598 5.914 1.00 0.00 C ATOM 1092 C TYR A 78 -4.841 0.765 6.510 1.00 0.00 C ATOM 1093 O TYR A 78 -4.123 0.874 7.490 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.478 -1.092 6.387 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.465 -1.739 7.754 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.375 -0.975 8.903 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.538 -3.121 7.889 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.353 -1.564 10.151 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.525 -3.718 9.130 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.432 -2.937 10.259 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.409 -3.531 11.499 1.00 0.00 O ATOM 0 H TYR A 78 -3.763 -1.480 7.230 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.137 -0.509 4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.172 -0.252 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.863 -1.810 5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.321 0.101 8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.606 -3.737 7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.274 -0.953 11.038 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.587 -4.793 9.217 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.475 -4.503 11.397 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.426 1.815 5.934 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.184 3.192 6.351 1.00 0.00 C ATOM 1113 C PRO A 79 -5.610 3.444 7.783 1.00 0.00 C ATOM 1114 O PRO A 79 -6.723 3.109 8.180 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.051 4.016 5.397 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.087 3.070 4.922 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.400 1.746 4.846 1.00 0.00 C ATOM 0 HA PRO A 79 -4.124 3.442 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.498 4.871 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.464 4.410 4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.934 3.036 5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.477 3.368 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.099 0.921 4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.916 1.598 3.881 1.00 0.00 H new ATOM 1125 N THR A 80 -4.713 4.011 8.561 1.00 0.00 N ATOM 1126 CA THR A 80 -5.064 4.472 9.891 1.00 0.00 C ATOM 1127 C THR A 80 -5.501 5.926 9.821 1.00 0.00 C ATOM 1128 O THR A 80 -5.951 6.507 10.806 1.00 0.00 O ATOM 1129 CB THR A 80 -3.892 4.311 10.877 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.662 4.715 10.256 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.775 2.872 11.348 1.00 0.00 C ATOM 0 H THR A 80 -3.739 4.164 8.299 1.00 0.00 H new ATOM 0 HA THR A 80 -5.885 3.859 10.261 1.00 0.00 H new ATOM 0 HB THR A 80 -4.087 4.947 11.740 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.924 4.610 10.893 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.940 2.783 12.043 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.697 2.577 11.849 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.603 2.221 10.491 1.00 0.00 H new ATOM 1139 N SER A 81 -5.359 6.502 8.634 1.00 0.00 N ATOM 1140 CA SER A 81 -5.836 7.848 8.353 1.00 0.00 C ATOM 1141 C SER A 81 -6.223 7.939 6.881 1.00 0.00 C ATOM 1142 O SER A 81 -5.966 7.009 6.112 1.00 0.00 O ATOM 1143 CB SER A 81 -4.752 8.880 8.640 1.00 0.00 C ATOM 1144 OG SER A 81 -4.003 8.555 9.803 1.00 0.00 O ATOM 0 H SER A 81 -4.909 6.048 7.839 1.00 0.00 H new ATOM 0 HA SER A 81 -6.695 8.054 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.081 8.949 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.210 9.861 8.766 1.00 0.00 H new ATOM 0 HG SER A 81 -3.238 7.996 9.554 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.819 9.053 6.485 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.163 9.279 5.093 1.00 0.00 C ATOM 1152 C ASP A 82 -5.886 9.588 4.332 1.00 0.00 C ATOM 1153 O ASP A 82 -5.166 10.523 4.684 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.142 10.443 4.963 1.00 0.00 C ATOM 1155 CG ASP A 82 -9.427 10.232 5.737 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -10.323 9.511 5.245 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -9.551 10.802 6.840 1.00 0.00 O ATOM 0 H ASP A 82 -7.075 9.816 7.112 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.642 8.390 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.660 11.356 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.380 10.593 3.910 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.590 8.810 3.309 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.268 8.857 2.707 1.00 0.00 C ATOM 1164 C CYS A 83 -4.308 8.764 1.190 1.00 0.00 C ATOM 1165 O CYS A 83 -5.368 8.759 0.569 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.443 7.709 3.281 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.142 6.073 2.993 1.00 0.00 S ATOM 0 H CYS A 83 -6.235 8.146 2.881 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.818 9.821 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.443 7.745 2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.332 7.859 4.355 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.366 5.171 3.517 1.00 0.00 H new ATOM 1173 N THR A 84 -3.123 8.723 0.619 1.00 0.00 N ATOM 1174 CA THR A 84 -2.923 8.517 -0.797 1.00 0.00 C ATOM 1175 C THR A 84 -1.828 7.493 -0.959 1.00 0.00 C ATOM 1176 O THR A 84 -0.711 7.717 -0.504 1.00 0.00 O ATOM 1177 CB THR A 84 -2.496 9.805 -1.510 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.588 10.735 -1.554 1.00 0.00 O ATOM 1179 CG2 THR A 84 -1.993 9.497 -2.916 1.00 0.00 C ATOM 0 H THR A 84 -2.253 8.835 1.140 1.00 0.00 H new ATOM 0 HA THR A 84 -3.863 8.187 -1.239 1.00 0.00 H new ATOM 0 HB THR A 84 -1.679 10.259 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.302 11.554 -2.010 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.694 10.423 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.137 8.825 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.788 9.022 -3.491 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.126 6.377 -1.584 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.205 5.264 -1.569 1.00 0.00 C ATOM 1189 C ILE A 85 -0.858 4.807 -2.974 1.00 0.00 C ATOM 1190 O ILE A 85 -1.710 4.377 -3.742 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.748 4.078 -0.743 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.037 4.497 0.715 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.759 2.926 -0.780 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.044 5.469 1.307 1.00 0.00 C ATOM 0 H ILE A 85 -2.989 6.216 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.294 5.622 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.689 3.754 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.030 4.943 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.062 3.602 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.149 2.093 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.610 2.607 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.193 3.250 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.331 5.703 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.050 5.022 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.034 6.384 0.715 1.00 0.00 H new ATOM 1206 N GLN A 86 0.411 4.920 -3.289 1.00 0.00 N ATOM 1207 CA GLN A 86 0.956 4.502 -4.562 1.00 0.00 C ATOM 1208 C GLN A 86 0.971 2.974 -4.621 1.00 0.00 C ATOM 1209 O GLN A 86 1.249 2.321 -3.627 1.00 0.00 O ATOM 1210 CB GLN A 86 2.365 5.061 -4.646 1.00 0.00 C ATOM 1211 CG GLN A 86 2.649 5.938 -5.852 1.00 0.00 C ATOM 1212 CD GLN A 86 3.993 6.650 -5.744 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.193 7.706 -6.340 1.00 0.00 O ATOM 1214 NE2 GLN A 86 4.906 6.099 -4.950 1.00 0.00 N ATOM 0 H GLN A 86 1.108 5.313 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 86 0.359 4.866 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.562 5.639 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.068 4.228 -4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.635 5.327 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.855 6.678 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.703 5.221 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.809 6.554 -4.819 1.00 0.00 H new ATOM 1223 N THR A 87 0.671 2.407 -5.776 1.00 0.00 N ATOM 1224 CA THR A 87 0.450 0.965 -5.867 1.00 0.00 C ATOM 1225 C THR A 87 1.699 0.157 -6.238 1.00 0.00 C ATOM 1226 O THR A 87 2.358 -0.427 -5.385 1.00 0.00 O ATOM 1227 CB THR A 87 -0.655 0.673 -6.895 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.368 1.356 -8.125 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.000 1.123 -6.372 1.00 0.00 C ATOM 0 H THR A 87 0.574 2.911 -6.657 1.00 0.00 H new ATOM 0 HA THR A 87 0.159 0.647 -4.866 1.00 0.00 H new ATOM 0 HB THR A 87 -0.687 -0.402 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.103 0.704 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.769 0.908 -7.114 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.228 0.591 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.974 2.195 -6.176 1.00 0.00 H new ATOM 1237 N HIS A 88 2.019 0.167 -7.522 1.00 0.00 N ATOM 1238 CA HIS A 88 2.950 -0.796 -8.138 1.00 0.00 C ATOM 1239 C HIS A 88 4.428 -0.540 -7.838 1.00 0.00 C ATOM 1240 O HIS A 88 5.301 -1.054 -8.533 1.00 0.00 O ATOM 1241 CB HIS A 88 2.739 -0.799 -9.645 1.00 0.00 C ATOM 1242 CG HIS A 88 1.464 -1.456 -10.065 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.217 -1.001 -9.683 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.245 -2.557 -10.816 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.709 -1.797 -10.182 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.112 -2.747 -10.871 1.00 0.00 N ATOM 0 H HIS A 88 1.642 0.847 -8.182 1.00 0.00 H new ATOM 0 HA HIS A 88 2.718 -1.764 -7.693 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.746 0.229 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.576 -1.310 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.998 -3.173 -11.285 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.775 -1.688 -10.048 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.584 -3.504 -11.367 1.00 0.00 H new ATOM 1255 N GLN A 89 4.711 0.236 -6.817 1.00 0.00 N ATOM 1256 CA GLN A 89 6.080 0.657 -6.540 1.00 0.00 C ATOM 1257 C GLN A 89 6.776 -0.274 -5.538 1.00 0.00 C ATOM 1258 O GLN A 89 7.481 0.189 -4.644 1.00 0.00 O ATOM 1259 CB GLN A 89 6.124 2.109 -6.062 1.00 0.00 C ATOM 1260 CG GLN A 89 4.773 2.792 -6.107 1.00 0.00 C ATOM 1261 CD GLN A 89 4.360 3.165 -7.518 1.00 0.00 C ATOM 1262 OE1 GLN A 89 5.195 3.480 -8.364 1.00 0.00 O ATOM 1263 NE2 GLN A 89 3.070 3.094 -7.786 1.00 0.00 N ATOM 0 H GLN A 89 4.017 0.593 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 89 6.632 0.591 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.505 2.137 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.827 2.667 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.021 2.133 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.802 3.690 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.411 2.828 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.732 3.305 -8.725 1.00 0.00 H new ATOM 1272 N GLU A 90 6.524 -1.576 -5.649 1.00 0.00 N ATOM 1273 CA GLU A 90 7.153 -2.574 -4.772 1.00 0.00 C ATOM 1274 C GLU A 90 8.668 -2.375 -4.660 1.00 0.00 C ATOM 1275 O GLU A 90 9.246 -2.536 -3.580 1.00 0.00 O ATOM 1276 CB GLU A 90 6.899 -3.985 -5.282 1.00 0.00 C ATOM 1277 CG GLU A 90 7.392 -4.222 -6.701 1.00 0.00 C ATOM 1278 CD GLU A 90 7.420 -5.686 -7.079 1.00 0.00 C ATOM 1279 OE1 GLU A 90 8.205 -6.447 -6.471 1.00 0.00 O ATOM 1280 OE2 GLU A 90 6.661 -6.084 -7.987 1.00 0.00 O ATOM 0 H GLU A 90 5.886 -1.971 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 90 6.702 -2.438 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.386 -4.696 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.829 -4.190 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.749 -3.685 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.394 -3.806 -6.806 1.00 0.00 H new ATOM 1287 N GLU A 91 9.286 -2.019 -5.785 1.00 0.00 N ATOM 1288 CA GLU A 91 10.725 -1.763 -5.880 1.00 0.00 C ATOM 1289 C GLU A 91 11.179 -0.804 -4.782 1.00 0.00 C ATOM 1290 O GLU A 91 12.316 -0.849 -4.324 1.00 0.00 O ATOM 1291 CB GLU A 91 11.035 -1.177 -7.263 1.00 0.00 C ATOM 1292 CG GLU A 91 12.490 -0.792 -7.493 1.00 0.00 C ATOM 1293 CD GLU A 91 13.382 -1.993 -7.704 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.644 -2.731 -6.734 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.817 -2.209 -8.854 1.00 0.00 O ATOM 0 H GLU A 91 8.795 -1.898 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 91 11.267 -2.700 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.744 -1.904 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.414 -0.294 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.556 -0.138 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.851 -0.222 -6.637 1.00 0.00 H new ATOM 1302 N ALA A 92 10.266 0.059 -4.364 1.00 0.00 N ATOM 1303 CA ALA A 92 10.581 1.139 -3.445 1.00 0.00 C ATOM 1304 C ALA A 92 11.013 0.616 -2.075 1.00 0.00 C ATOM 1305 O ALA A 92 11.899 1.178 -1.443 1.00 0.00 O ATOM 1306 CB ALA A 92 9.388 2.062 -3.315 1.00 0.00 C ATOM 0 H ALA A 92 9.288 0.030 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 92 11.425 1.695 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.627 2.871 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.142 2.479 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.534 1.501 -2.935 1.00 0.00 H new ATOM 1312 N LEU A 93 10.388 -0.457 -1.607 1.00 0.00 N ATOM 1313 CA LEU A 93 10.799 -1.064 -0.345 1.00 0.00 C ATOM 1314 C LEU A 93 12.063 -1.889 -0.565 1.00 0.00 C ATOM 1315 O LEU A 93 12.946 -1.933 0.289 1.00 0.00 O ATOM 1316 CB LEU A 93 9.672 -1.931 0.248 1.00 0.00 C ATOM 1317 CG LEU A 93 10.099 -3.276 0.833 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.786 -3.079 2.171 1.00 0.00 C ATOM 1319 CD2 LEU A 93 8.898 -4.200 0.970 1.00 0.00 C ATOM 0 H LEU A 93 9.607 -0.920 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 93 11.011 -0.272 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.174 -1.359 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.933 -2.115 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 93 10.811 -3.742 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.083 -4.047 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.669 -2.454 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.099 -2.593 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.219 -5.154 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.161 -3.743 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.452 -4.365 -0.011 1.00 0.00 H new ATOM 1331 N TYR A 94 12.143 -2.525 -1.726 1.00 0.00 N ATOM 1332 CA TYR A 94 13.268 -3.386 -2.050 1.00 0.00 C ATOM 1333 C TYR A 94 14.549 -2.566 -2.154 1.00 0.00 C ATOM 1334 O TYR A 94 15.565 -2.892 -1.539 1.00 0.00 O ATOM 1335 CB TYR A 94 12.982 -4.137 -3.347 1.00 0.00 C ATOM 1336 CG TYR A 94 14.017 -5.174 -3.702 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.139 -6.342 -2.959 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.866 -4.991 -4.782 1.00 0.00 C ATOM 1339 CE1 TYR A 94 15.080 -7.297 -3.284 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.811 -5.942 -5.114 1.00 0.00 C ATOM 1341 CZ TYR A 94 15.913 -7.092 -4.361 1.00 0.00 C ATOM 1342 OH TYR A 94 16.851 -8.044 -4.688 1.00 0.00 O ATOM 0 H TYR A 94 11.438 -2.459 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 94 13.407 -4.117 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.010 -4.623 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.911 -3.417 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.487 -6.505 -2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.787 -4.091 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.163 -8.200 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.466 -5.786 -5.958 1.00 0.00 H new ATOM 0 HH TYR A 94 17.357 -7.748 -5.473 1.00 0.00 H new ATOM 1352 N GLU A 95 14.488 -1.499 -2.929 1.00 0.00 N ATOM 1353 CA GLU A 95 15.573 -0.535 -2.992 1.00 0.00 C ATOM 1354 C GLU A 95 15.109 0.828 -2.490 1.00 0.00 C ATOM 1355 O GLU A 95 15.418 1.209 -1.359 1.00 0.00 O ATOM 1356 CB GLU A 95 16.129 -0.415 -4.407 1.00 0.00 C ATOM 1357 CG GLU A 95 16.936 -1.618 -4.851 1.00 0.00 C ATOM 1358 CD GLU A 95 17.805 -1.308 -6.049 1.00 0.00 C ATOM 1359 OE1 GLU A 95 18.648 -0.390 -5.949 1.00 0.00 O ATOM 1360 OE2 GLU A 95 17.650 -1.971 -7.095 1.00 0.00 O ATOM 0 H GLU A 95 13.693 -1.276 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 95 16.373 -0.895 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.302 -0.268 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.757 0.474 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.563 -1.958 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.260 -2.437 -5.096 1.00 0.00 H new ATOM 1367 N ASN A 96 14.360 1.556 -3.320 1.00 0.00 N ATOM 1368 CA ASN A 96 13.864 2.880 -2.929 1.00 0.00 C ATOM 1369 C ASN A 96 12.903 3.456 -3.954 1.00 0.00 C ATOM 1370 O ASN A 96 11.935 4.136 -3.615 1.00 0.00 O ATOM 1371 CB ASN A 96 15.030 3.857 -2.727 1.00 0.00 C ATOM 1372 CG ASN A 96 14.596 5.189 -2.147 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.633 5.272 -1.389 1.00 0.00 O ATOM 1374 ND2 ASN A 96 15.312 6.244 -2.501 1.00 0.00 N ATOM 0 H ASN A 96 14.085 1.258 -4.256 1.00 0.00 H new ATOM 0 HA ASN A 96 13.325 2.749 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.767 3.402 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.523 4.028 -3.684 1.00 0.00 H new ATOM 0 HD21 ASN A 96 15.071 7.168 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.105 6.133 -3.133 1.00 0.00 H new ATOM 1381 N LEU A 97 13.189 3.172 -5.211 1.00 0.00 N ATOM 1382 CA LEU A 97 12.516 3.789 -6.362 1.00 0.00 C ATOM 1383 C LEU A 97 12.689 5.302 -6.393 1.00 0.00 C ATOM 1384 O LEU A 97 12.236 5.973 -7.319 1.00 0.00 O ATOM 1385 CB LEU A 97 11.037 3.428 -6.406 1.00 0.00 C ATOM 1386 CG LEU A 97 10.762 2.168 -7.189 1.00 0.00 C ATOM 1387 CD1 LEU A 97 9.301 1.781 -7.076 1.00 0.00 C ATOM 1388 CD2 LEU A 97 11.149 2.349 -8.650 1.00 0.00 C ATOM 0 H LEU A 97 13.906 2.496 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 97 12.999 3.382 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.668 3.304 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.480 4.254 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 97 11.368 1.365 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.121 0.870 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.050 1.609 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.680 2.585 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.943 1.429 -9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.570 3.166 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.212 2.582 -8.719 1.00 0.00 H new ATOM 1400 N TYR A 98 13.352 5.809 -5.369 1.00 0.00 N ATOM 1401 CA TYR A 98 13.613 7.230 -5.198 1.00 0.00 C ATOM 1402 C TYR A 98 12.303 8.024 -5.160 1.00 0.00 C ATOM 1403 O TYR A 98 12.232 9.171 -5.600 1.00 0.00 O ATOM 1404 CB TYR A 98 14.543 7.744 -6.304 1.00 0.00 C ATOM 1405 CG TYR A 98 15.139 9.101 -6.011 1.00 0.00 C ATOM 1406 CD1 TYR A 98 15.917 9.303 -4.879 1.00 0.00 C ATOM 1407 CD2 TYR A 98 14.927 10.176 -6.864 1.00 0.00 C ATOM 1408 CE1 TYR A 98 16.466 10.538 -4.604 1.00 0.00 C ATOM 1409 CE2 TYR A 98 15.473 11.414 -6.595 1.00 0.00 C ATOM 1410 CZ TYR A 98 16.241 11.591 -5.465 1.00 0.00 C ATOM 1411 OH TYR A 98 16.791 12.823 -5.197 1.00 0.00 O ATOM 0 H TYR A 98 13.732 5.234 -4.617 1.00 0.00 H new ATOM 0 HA TYR A 98 14.116 7.375 -4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 98 15.350 7.026 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 98 13.987 7.795 -7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 98 16.095 8.480 -4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 98 14.326 10.041 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 98 17.069 10.679 -3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 98 15.299 12.241 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 98 16.537 13.455 -5.902 1.00 0.00 H new ATOM 1421 N PHE A 99 11.262 7.399 -4.630 1.00 0.00 N ATOM 1422 CA PHE A 99 9.971 8.056 -4.498 1.00 0.00 C ATOM 1423 C PHE A 99 9.798 8.608 -3.092 1.00 0.00 C ATOM 1424 O PHE A 99 9.301 7.919 -2.200 1.00 0.00 O ATOM 1425 CB PHE A 99 8.819 7.099 -4.828 1.00 0.00 C ATOM 1426 CG PHE A 99 8.723 6.710 -6.280 1.00 0.00 C ATOM 1427 CD1 PHE A 99 9.119 7.585 -7.281 1.00 0.00 C ATOM 1428 CD2 PHE A 99 8.218 5.472 -6.643 1.00 0.00 C ATOM 1429 CE1 PHE A 99 9.016 7.230 -8.612 1.00 0.00 C ATOM 1430 CE2 PHE A 99 8.113 5.113 -7.973 1.00 0.00 C ATOM 1431 CZ PHE A 99 8.514 5.992 -8.958 1.00 0.00 C ATOM 0 H PHE A 99 11.286 6.439 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 99 9.945 8.879 -5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.933 6.195 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.880 7.564 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.513 8.555 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.903 4.779 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.328 7.921 -9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.717 4.145 -8.242 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.435 5.712 -9.998 1.00 0.00 H new ATOM 1441 N GLN A 100 10.229 9.842 -2.896 1.00 0.00 N ATOM 1442 CA GLN A 100 10.067 10.503 -1.616 1.00 0.00 C ATOM 1443 C GLN A 100 8.800 11.344 -1.644 1.00 0.00 C ATOM 1444 O GLN A 100 7.745 10.843 -1.207 1.00 0.00 O ATOM 1445 CB GLN A 100 11.283 11.375 -1.293 1.00 0.00 C ATOM 1446 CG GLN A 100 11.251 11.961 0.111 1.00 0.00 C ATOM 1447 CD GLN A 100 12.431 12.870 0.408 1.00 0.00 C ATOM 1448 OE1 GLN A 100 12.890 12.950 1.546 1.00 0.00 O ATOM 1449 NE2 GLN A 100 12.919 13.575 -0.601 1.00 0.00 N ATOM 1450 OXT GLN A 100 8.851 12.484 -2.147 1.00 0.00 O ATOM 0 H GLN A 100 10.694 10.405 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 100 9.984 9.748 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.189 10.780 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.340 12.188 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.326 12.523 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.236 11.148 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.512 13.482 -1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.702 14.211 -0.447 1.00 0.00 H new TER 1459 GLN A 100 HETATM 1460 FE1 FES A 201 1.977 -12.701 -1.206 1.00 0.00 FE HETATM 1461 FE2 FES A 201 0.591 -9.847 -1.405 1.00 0.00 FE HETATM 1462 S1 FES A 201 0.276 -11.829 -2.292 1.00 0.00 S HETATM 1463 S2 FES A 201 2.096 -10.791 -0.122 1.00 0.00 S