USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ 169:sc= 0.0258 (180deg=-0.196) USER MOD Single : A 6 THR OG1 : rot 131:sc= -1.5 USER MOD Single : A 10 THR OG1 : rot -56:sc= 0.119 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 18 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-0.49) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= 0.305 (180deg=-0.000582) USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.136 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.626 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.433 USER MOD Single : A 55 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.1!) USER MOD Single : A 58 SER OG : rot 170:sc= -3.89! USER MOD Single : A 59 THR OG1 : rot -89:sc= 1.26 USER MOD Single : A 61 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.3!) USER MOD Single : A 63 ASN : amide:sc= -3.72 K(o=-3.7,f=-1.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= -8.7! C(o=-8.7!,f=-12!) USER MOD Single : B 189 TYR OH : rot 107:sc= -1.6! USER MOD Single : B 190 TYR OH : rot 180:sc= -1.63 USER MOD Single : B 191 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.551 9.797 6.374 1.00 0.00 N ATOM 2 CA ILE A 1 3.924 11.117 6.101 1.00 0.00 C ATOM 3 C ILE A 1 2.993 11.054 4.892 1.00 0.00 C ATOM 4 O ILE A 1 1.854 11.516 4.954 1.00 0.00 O ATOM 5 CB ILE A 1 4.991 12.209 5.866 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.326 13.572 5.654 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.871 11.852 4.678 1.00 0.00 C ATOM 8 CD1 ILE A 1 5.311 14.698 5.423 1.00 0.00 C ATOM 0 H1 ILE A 1 5.311 9.912 7.075 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.834 9.142 6.746 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.948 9.412 5.493 1.00 0.00 H new ATOM 0 HA ILE A 1 3.340 11.375 6.984 1.00 0.00 H new ATOM 0 HB ILE A 1 5.622 12.269 6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.652 13.509 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.715 13.808 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 1 6.616 12.634 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.373 10.904 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 1 5.255 11.762 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 1 4.768 15.633 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 1 5.969 14.788 6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 1 5.906 14.485 4.535 1.00 0.00 H new ATOM 22 N ARG A 2 3.478 10.482 3.792 1.00 0.00 N ATOM 23 CA ARG A 2 2.675 10.369 2.579 1.00 0.00 C ATOM 24 C ARG A 2 3.418 9.602 1.489 1.00 0.00 C ATOM 25 O ARG A 2 3.304 9.924 0.306 1.00 0.00 O ATOM 26 CB ARG A 2 2.291 11.759 2.066 1.00 0.00 C ATOM 27 CG ARG A 2 1.343 11.730 0.876 1.00 0.00 C ATOM 28 CD ARG A 2 0.083 12.539 1.140 1.00 0.00 C ATOM 29 NE ARG A 2 -0.405 13.201 -0.067 1.00 0.00 N ATOM 30 CZ ARG A 2 -0.985 12.562 -1.080 1.00 0.00 C ATOM 31 NH1 ARG A 2 -1.154 11.246 -1.034 1.00 0.00 N ATOM 32 NH2 ARG A 2 -1.398 13.239 -2.143 1.00 0.00 N ATOM 0 H ARG A 2 4.417 10.092 3.717 1.00 0.00 H new ATOM 0 HA ARG A 2 1.771 9.814 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.826 12.320 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.197 12.296 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.851 12.125 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.072 10.698 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.694 11.883 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.286 13.287 1.907 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.295 14.213 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.839 10.719 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.599 10.761 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.271 14.250 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.842 12.748 -2.919 1.00 0.00 H new ATOM 46 N CYS A 3 4.173 8.582 1.887 1.00 0.00 N ATOM 47 CA CYS A 3 4.921 7.775 0.929 1.00 0.00 C ATOM 48 C CYS A 3 3.969 6.972 0.051 1.00 0.00 C ATOM 49 O CYS A 3 3.792 5.771 0.250 1.00 0.00 O ATOM 50 CB CYS A 3 5.880 6.827 1.649 1.00 0.00 C ATOM 51 SG CYS A 3 7.320 7.650 2.403 1.00 0.00 S ATOM 0 H CYS A 3 4.283 8.296 2.860 1.00 0.00 H new ATOM 0 HA CYS A 3 5.502 8.451 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.332 6.295 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.234 6.079 0.940 1.00 0.00 H new ATOM 56 N PHE A 4 3.351 7.653 -0.910 1.00 0.00 N ATOM 57 CA PHE A 4 2.403 7.023 -1.825 1.00 0.00 C ATOM 58 C PHE A 4 1.076 6.763 -1.120 1.00 0.00 C ATOM 59 O PHE A 4 0.044 7.323 -1.491 1.00 0.00 O ATOM 60 CB PHE A 4 2.958 5.705 -2.385 1.00 0.00 C ATOM 61 CG PHE A 4 4.039 5.865 -3.423 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.717 6.011 -4.765 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.379 5.836 -3.063 1.00 0.00 C ATOM 64 CE1 PHE A 4 4.707 6.122 -5.724 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.372 5.953 -4.018 1.00 0.00 C ATOM 66 CZ PHE A 4 6.036 6.093 -5.350 1.00 0.00 C ATOM 0 H PHE A 4 3.491 8.650 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 4 2.242 7.709 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.352 5.113 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.136 5.137 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.680 6.038 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.650 5.721 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.441 6.231 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.411 5.935 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.811 6.180 -6.097 1.00 0.00 H new ATOM 76 N ILE A 5 1.111 5.907 -0.103 1.00 0.00 N ATOM 77 CA ILE A 5 -0.089 5.563 0.657 1.00 0.00 C ATOM 78 C ILE A 5 0.266 5.087 2.073 1.00 0.00 C ATOM 79 O ILE A 5 1.347 5.385 2.581 1.00 0.00 O ATOM 80 CB ILE A 5 -0.916 4.470 -0.067 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.265 3.093 0.091 1.00 0.00 C ATOM 82 CG2 ILE A 5 -1.081 4.808 -1.542 1.00 0.00 C ATOM 83 CD1 ILE A 5 1.229 3.101 -0.136 1.00 0.00 C ATOM 0 H ILE A 5 1.959 5.437 0.215 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.691 6.468 0.732 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.902 4.438 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.470 2.716 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.727 2.399 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.664 4.028 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.597 5.763 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.100 4.876 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.622 2.092 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.441 3.447 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.703 3.769 0.583 1.00 0.00 H new ATOM 95 N THR A 6 -0.650 4.349 2.703 1.00 0.00 N ATOM 96 CA THR A 6 -0.431 3.837 4.056 1.00 0.00 C ATOM 97 C THR A 6 -0.213 2.321 4.040 1.00 0.00 C ATOM 98 O THR A 6 -0.503 1.656 3.046 1.00 0.00 O ATOM 99 CB THR A 6 -1.618 4.197 4.968 1.00 0.00 C ATOM 100 OG1 THR A 6 -1.992 3.096 5.781 1.00 0.00 O ATOM 101 CG2 THR A 6 -2.855 4.641 4.214 1.00 0.00 C ATOM 0 H THR A 6 -1.550 4.093 2.298 1.00 0.00 H new ATOM 0 HA THR A 6 0.469 4.307 4.452 1.00 0.00 H new ATOM 0 HB THR A 6 -1.258 5.032 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.072 3.389 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.648 4.877 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.622 5.526 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.186 3.839 3.554 1.00 0.00 H new ATOM 109 N PRO A 7 0.307 1.753 5.147 1.00 0.00 N ATOM 110 CA PRO A 7 0.567 0.312 5.254 1.00 0.00 C ATOM 111 C PRO A 7 -0.666 -0.532 4.924 1.00 0.00 C ATOM 112 O PRO A 7 -0.806 -1.022 3.803 1.00 0.00 O ATOM 113 CB PRO A 7 0.990 0.119 6.720 1.00 0.00 C ATOM 114 CG PRO A 7 0.597 1.380 7.414 1.00 0.00 C ATOM 115 CD PRO A 7 0.689 2.461 6.378 1.00 0.00 C ATOM 0 HA PRO A 7 1.325 -0.014 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.493 -0.744 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.063 -0.056 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.414 1.307 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.259 1.587 8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.016 3.290 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.695 2.876 6.312 1.00 0.00 H new ATOM 123 N ASP A 8 -1.561 -0.697 5.899 1.00 0.00 N ATOM 124 CA ASP A 8 -2.778 -1.479 5.692 1.00 0.00 C ATOM 125 C ASP A 8 -3.605 -0.884 4.557 1.00 0.00 C ATOM 126 O ASP A 8 -3.583 -1.382 3.431 1.00 0.00 O ATOM 127 CB ASP A 8 -3.607 -1.528 6.977 1.00 0.00 C ATOM 128 CG ASP A 8 -3.359 -2.791 7.778 1.00 0.00 C ATOM 129 OD1 ASP A 8 -3.532 -3.893 7.216 1.00 0.00 O ATOM 130 OD2 ASP A 8 -2.993 -2.679 8.966 1.00 0.00 O ATOM 0 H ASP A 8 -1.466 -0.302 6.834 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.492 -2.496 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.371 -0.659 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.666 -1.463 6.726 1.00 0.00 H new ATOM 135 N ILE A 9 -4.315 0.199 4.855 1.00 0.00 N ATOM 136 CA ILE A 9 -5.128 0.883 3.853 1.00 0.00 C ATOM 137 C ILE A 9 -4.213 1.399 2.735 1.00 0.00 C ATOM 138 O ILE A 9 -3.105 0.894 2.558 1.00 0.00 O ATOM 139 CB ILE A 9 -5.905 2.074 4.467 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.330 1.765 5.906 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.126 2.410 3.622 1.00 0.00 C ATOM 142 CD1 ILE A 9 -5.570 2.561 6.945 1.00 0.00 C ATOM 0 H ILE A 9 -4.345 0.623 5.782 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.855 0.173 3.459 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.240 2.937 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.396 1.967 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.187 0.702 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.659 3.249 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.809 2.678 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.786 1.544 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.923 2.291 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.506 2.340 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.733 3.626 6.779 1.00 0.00 H new ATOM 154 N THR A 10 -4.656 2.413 2.000 1.00 0.00 N ATOM 155 CA THR A 10 -3.849 2.990 0.935 1.00 0.00 C ATOM 156 C THR A 10 -4.273 4.435 0.686 1.00 0.00 C ATOM 157 O THR A 10 -4.203 4.939 -0.435 1.00 0.00 O ATOM 158 CB THR A 10 -3.963 2.153 -0.341 1.00 0.00 C ATOM 159 OG1 THR A 10 -3.504 2.876 -1.469 1.00 0.00 O ATOM 160 CG2 THR A 10 -5.370 1.688 -0.630 1.00 0.00 C ATOM 0 H THR A 10 -5.569 2.851 2.123 1.00 0.00 H new ATOM 0 HA THR A 10 -2.803 2.986 1.241 1.00 0.00 H new ATOM 0 HB THR A 10 -3.340 1.277 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.004 3.715 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.378 1.101 -1.548 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.727 1.074 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.022 2.553 -0.747 1.00 0.00 H new ATOM 168 N SER A 11 -4.709 5.095 1.755 1.00 0.00 N ATOM 169 CA SER A 11 -5.145 6.484 1.687 1.00 0.00 C ATOM 170 C SER A 11 -4.809 7.215 2.986 1.00 0.00 C ATOM 171 O SER A 11 -4.335 8.350 2.967 1.00 0.00 O ATOM 172 CB SER A 11 -6.650 6.553 1.419 1.00 0.00 C ATOM 173 OG SER A 11 -6.948 7.520 0.427 1.00 0.00 O ATOM 0 H SER A 11 -4.769 4.684 2.687 1.00 0.00 H new ATOM 0 HA SER A 11 -4.617 6.972 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.011 5.576 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.176 6.800 2.341 1.00 0.00 H new ATOM 0 HG SER A 11 -7.916 7.543 0.273 1.00 0.00 H new ATOM 179 N LYS A 12 -5.059 6.550 4.112 1.00 0.00 N ATOM 180 CA LYS A 12 -4.789 7.117 5.425 1.00 0.00 C ATOM 181 C LYS A 12 -3.322 7.524 5.560 1.00 0.00 C ATOM 182 O LYS A 12 -2.602 7.627 4.567 1.00 0.00 O ATOM 183 CB LYS A 12 -5.148 6.096 6.503 1.00 0.00 C ATOM 184 CG LYS A 12 -5.815 6.701 7.724 1.00 0.00 C ATOM 185 CD LYS A 12 -5.275 6.087 9.002 1.00 0.00 C ATOM 186 CE LYS A 12 -6.342 6.006 10.083 1.00 0.00 C ATOM 187 NZ LYS A 12 -6.480 4.625 10.624 1.00 0.00 N ATOM 0 H LYS A 12 -5.452 5.609 4.137 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.399 8.012 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.812 5.346 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.241 5.578 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.649 7.778 7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.892 6.545 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.893 5.088 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.435 6.680 9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.090 6.690 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.298 6.333 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.217 4.612 11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.745 3.976 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.575 4.322 11.037 1.00 0.00 H new ATOM 201 N ASP A 13 -2.886 7.750 6.797 1.00 0.00 N ATOM 202 CA ASP A 13 -1.506 8.141 7.064 1.00 0.00 C ATOM 203 C ASP A 13 -0.662 6.928 7.442 1.00 0.00 C ATOM 204 O ASP A 13 -1.191 5.843 7.685 1.00 0.00 O ATOM 205 CB ASP A 13 -1.456 9.180 8.186 1.00 0.00 C ATOM 206 CG ASP A 13 -2.313 10.396 7.889 1.00 0.00 C ATOM 207 OD1 ASP A 13 -2.297 10.866 6.732 1.00 0.00 O ATOM 208 OD2 ASP A 13 -3.000 10.878 8.815 1.00 0.00 O ATOM 0 H ASP A 13 -3.469 7.669 7.630 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.096 8.579 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.791 8.722 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.424 9.495 8.339 1.00 0.00 H new ATOM 213 N CYS A 14 0.653 7.117 7.490 1.00 0.00 N ATOM 214 CA CYS A 14 1.569 6.037 7.839 1.00 0.00 C ATOM 215 C CYS A 14 2.797 6.578 8.570 1.00 0.00 C ATOM 216 O CYS A 14 3.611 7.292 7.984 1.00 0.00 O ATOM 217 CB CYS A 14 2.002 5.285 6.580 1.00 0.00 C ATOM 218 SG CYS A 14 2.847 6.326 5.346 1.00 0.00 S ATOM 0 H CYS A 14 1.108 8.008 7.292 1.00 0.00 H new ATOM 0 HA CYS A 14 1.046 5.350 8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.666 4.469 6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.123 4.834 6.119 1.00 0.00 H new ATOM 223 N PRO A 15 2.949 6.249 9.866 1.00 0.00 N ATOM 224 CA PRO A 15 4.072 6.702 10.671 1.00 0.00 C ATOM 225 C PRO A 15 5.215 5.694 10.683 1.00 0.00 C ATOM 226 O PRO A 15 5.271 4.797 9.841 1.00 0.00 O ATOM 227 CB PRO A 15 3.438 6.818 12.054 1.00 0.00 C ATOM 228 CG PRO A 15 2.401 5.738 12.094 1.00 0.00 C ATOM 229 CD PRO A 15 2.039 5.409 10.661 1.00 0.00 C ATOM 0 HA PRO A 15 4.522 7.623 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.180 6.683 12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.991 7.801 12.203 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.785 4.855 12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.522 6.070 12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.182 4.350 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.995 5.639 10.449 1.00 0.00 H new ATOM 237 N ASN A 16 6.123 5.841 11.643 1.00 0.00 N ATOM 238 CA ASN A 16 7.261 4.936 11.763 1.00 0.00 C ATOM 239 C ASN A 16 8.238 5.128 10.609 1.00 0.00 C ATOM 240 O ASN A 16 7.834 5.236 9.451 1.00 0.00 O ATOM 241 CB ASN A 16 6.780 3.483 11.805 1.00 0.00 C ATOM 242 CG ASN A 16 7.859 2.532 12.284 1.00 0.00 C ATOM 243 OD1 ASN A 16 8.602 2.837 13.217 1.00 0.00 O ATOM 244 ND2 ASN A 16 7.950 1.371 11.646 1.00 0.00 N ATOM 0 H ASN A 16 6.093 6.577 12.348 1.00 0.00 H new ATOM 0 HA ASN A 16 7.780 5.168 12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.915 3.408 12.464 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.450 3.183 10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.657 0.690 11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.313 1.160 10.878 1.00 0.00 H new ATOM 251 N GLY A 17 9.527 5.168 10.933 1.00 0.00 N ATOM 252 CA GLY A 17 10.544 5.346 9.913 1.00 0.00 C ATOM 253 C GLY A 17 10.373 6.641 9.144 1.00 0.00 C ATOM 254 O GLY A 17 9.329 7.288 9.228 1.00 0.00 O ATOM 0 H GLY A 17 9.885 5.080 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.529 5.332 10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.508 4.507 9.218 1.00 0.00 H new ATOM 258 N HIS A 18 11.402 7.019 8.392 1.00 0.00 N ATOM 259 CA HIS A 18 11.363 8.245 7.605 1.00 0.00 C ATOM 260 C HIS A 18 11.838 7.993 6.179 1.00 0.00 C ATOM 261 O HIS A 18 12.473 8.851 5.566 1.00 0.00 O ATOM 262 CB HIS A 18 12.229 9.325 8.258 1.00 0.00 C ATOM 263 CG HIS A 18 12.070 10.678 7.636 1.00 0.00 C ATOM 264 ND1 HIS A 18 12.932 11.726 7.885 1.00 0.00 N ATOM 265 CD2 HIS A 18 11.142 11.154 6.771 1.00 0.00 C ATOM 266 CE1 HIS A 18 12.542 12.787 7.201 1.00 0.00 C ATOM 267 NE2 HIS A 18 11.459 12.466 6.517 1.00 0.00 N ATOM 0 H HIS A 18 12.273 6.494 8.312 1.00 0.00 H new ATOM 0 HA HIS A 18 10.329 8.589 7.570 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.978 9.389 9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 18 13.276 9.027 8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.309 10.604 6.358 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.026 13.752 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.941 13.092 5.900 1.00 0.00 H new ATOM 276 N VAL A 19 11.524 6.814 5.652 1.00 0.00 N ATOM 277 CA VAL A 19 11.920 6.458 4.294 1.00 0.00 C ATOM 278 C VAL A 19 10.764 5.820 3.546 1.00 0.00 C ATOM 279 O VAL A 19 10.022 5.014 4.105 1.00 0.00 O ATOM 280 CB VAL A 19 13.119 5.480 4.265 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.105 5.882 3.179 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.811 5.417 5.621 1.00 0.00 C ATOM 0 H VAL A 19 10.998 6.091 6.143 1.00 0.00 H new ATOM 0 HA VAL A 19 12.218 7.389 3.811 1.00 0.00 H new ATOM 0 HB VAL A 19 12.737 4.484 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.942 5.184 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.607 5.861 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.473 6.889 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.649 4.722 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.177 6.408 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.102 5.076 6.376 1.00 0.00 H new ATOM 292 N CYS A 20 10.626 6.162 2.273 1.00 0.00 N ATOM 293 CA CYS A 20 9.570 5.589 1.462 1.00 0.00 C ATOM 294 C CYS A 20 10.018 4.225 0.964 1.00 0.00 C ATOM 295 O CYS A 20 10.537 4.083 -0.146 1.00 0.00 O ATOM 296 CB CYS A 20 9.217 6.516 0.300 1.00 0.00 C ATOM 297 SG CYS A 20 8.500 8.114 0.817 1.00 0.00 S ATOM 0 H CYS A 20 11.227 6.827 1.786 1.00 0.00 H new ATOM 0 HA CYS A 20 8.669 5.470 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.116 6.705 -0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.510 6.007 -0.356 1.00 0.00 H new ATOM 302 N TYR A 21 9.850 3.233 1.829 1.00 0.00 N ATOM 303 CA TYR A 21 10.263 1.872 1.530 1.00 0.00 C ATOM 304 C TYR A 21 9.181 1.076 0.813 1.00 0.00 C ATOM 305 O TYR A 21 8.281 0.526 1.440 1.00 0.00 O ATOM 306 CB TYR A 21 10.718 1.163 2.814 1.00 0.00 C ATOM 307 CG TYR A 21 9.604 0.612 3.683 1.00 0.00 C ATOM 308 CD1 TYR A 21 8.474 1.365 3.987 1.00 0.00 C ATOM 309 CD2 TYR A 21 9.695 -0.669 4.207 1.00 0.00 C ATOM 310 CE1 TYR A 21 7.470 0.850 4.788 1.00 0.00 C ATOM 311 CE2 TYR A 21 8.696 -1.189 5.006 1.00 0.00 C ATOM 312 CZ TYR A 21 7.587 -0.426 5.294 1.00 0.00 C ATOM 313 OH TYR A 21 6.590 -0.940 6.091 1.00 0.00 O ATOM 0 H TYR A 21 9.427 3.349 2.750 1.00 0.00 H new ATOM 0 HA TYR A 21 11.106 1.930 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.382 0.343 2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.305 1.864 3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.379 2.366 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.564 -1.271 3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.598 1.446 5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.784 -2.189 5.403 1.00 0.00 H new ATOM 0 HH TYR A 21 6.826 -1.851 6.364 1.00 0.00 H new ATOM 323 N THR A 22 9.298 0.998 -0.512 1.00 0.00 N ATOM 324 CA THR A 22 8.352 0.243 -1.319 1.00 0.00 C ATOM 325 C THR A 22 8.433 -1.223 -0.923 1.00 0.00 C ATOM 326 O THR A 22 9.005 -2.052 -1.628 1.00 0.00 O ATOM 327 CB THR A 22 8.661 0.449 -2.809 1.00 0.00 C ATOM 328 OG1 THR A 22 8.093 1.660 -3.272 1.00 0.00 O ATOM 329 CG2 THR A 22 8.162 -0.658 -3.715 1.00 0.00 C ATOM 0 H THR A 22 10.040 1.450 -1.046 1.00 0.00 H new ATOM 0 HA THR A 22 7.334 0.593 -1.145 1.00 0.00 H new ATOM 0 HB THR A 22 9.750 0.460 -2.862 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.301 1.776 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.424 -0.429 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.623 -1.602 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.079 -0.741 -3.626 1.00 0.00 H new ATOM 337 N LYS A 23 7.885 -1.512 0.244 1.00 0.00 N ATOM 338 CA LYS A 23 7.912 -2.852 0.802 1.00 0.00 C ATOM 339 C LYS A 23 6.890 -3.776 0.151 1.00 0.00 C ATOM 340 O LYS A 23 5.694 -3.487 0.131 1.00 0.00 O ATOM 341 CB LYS A 23 7.668 -2.793 2.313 1.00 0.00 C ATOM 342 CG LYS A 23 7.521 -4.161 2.966 1.00 0.00 C ATOM 343 CD LYS A 23 8.441 -4.312 4.166 1.00 0.00 C ATOM 344 CE LYS A 23 8.874 -5.757 4.356 1.00 0.00 C ATOM 345 NZ LYS A 23 9.717 -5.929 5.572 1.00 0.00 N ATOM 0 H LYS A 23 7.410 -0.826 0.830 1.00 0.00 H new ATOM 0 HA LYS A 23 8.900 -3.265 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.495 -2.263 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.766 -2.211 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.487 -4.306 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.744 -4.939 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.320 -3.682 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.931 -3.963 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.992 -6.393 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.430 -6.088 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.411 -6.777 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.713 -6.035 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.617 -5.095 6.185 1.00 0.00 H new ATOM 359 N THR A 24 7.373 -4.913 -0.334 1.00 0.00 N ATOM 360 CA THR A 24 6.516 -5.917 -0.935 1.00 0.00 C ATOM 361 C THR A 24 6.901 -7.282 -0.385 1.00 0.00 C ATOM 362 O THR A 24 7.484 -8.122 -1.077 1.00 0.00 O ATOM 363 CB THR A 24 6.588 -5.887 -2.467 1.00 0.00 C ATOM 364 OG1 THR A 24 5.564 -6.694 -3.027 1.00 0.00 O ATOM 365 CG2 THR A 24 7.909 -6.363 -3.025 1.00 0.00 C ATOM 0 H THR A 24 8.362 -5.160 -0.321 1.00 0.00 H new ATOM 0 HA THR A 24 5.480 -5.701 -0.676 1.00 0.00 H new ATOM 0 HB THR A 24 6.465 -4.839 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.798 -6.926 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.883 -6.313 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.712 -5.728 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.086 -7.392 -2.713 1.00 0.00 H new ATOM 373 N TRP A 25 6.574 -7.469 0.888 1.00 0.00 N ATOM 374 CA TRP A 25 6.864 -8.705 1.604 1.00 0.00 C ATOM 375 C TRP A 25 5.589 -9.525 1.748 1.00 0.00 C ATOM 376 O TRP A 25 5.164 -9.854 2.856 1.00 0.00 O ATOM 377 CB TRP A 25 7.450 -8.389 2.987 1.00 0.00 C ATOM 378 CG TRP A 25 7.613 -9.593 3.870 1.00 0.00 C ATOM 379 CD1 TRP A 25 7.664 -10.900 3.478 1.00 0.00 C ATOM 380 CD2 TRP A 25 7.739 -9.597 5.298 1.00 0.00 C ATOM 381 NE1 TRP A 25 7.818 -11.716 4.573 1.00 0.00 N ATOM 382 CE2 TRP A 25 7.866 -10.940 5.702 1.00 0.00 C ATOM 383 CE3 TRP A 25 7.759 -8.596 6.274 1.00 0.00 C ATOM 384 CZ2 TRP A 25 8.011 -11.306 7.038 1.00 0.00 C ATOM 385 CZ3 TRP A 25 7.902 -8.961 7.600 1.00 0.00 C ATOM 386 CH2 TRP A 25 8.026 -10.305 7.971 1.00 0.00 C ATOM 0 H TRP A 25 6.099 -6.766 1.454 1.00 0.00 H new ATOM 0 HA TRP A 25 7.597 -9.282 1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.421 -7.911 2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.804 -7.668 3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.594 -11.243 2.456 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.886 -12.733 4.549 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.664 -7.556 5.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.108 -12.342 7.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 7.918 -8.196 8.362 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.136 -10.557 9.015 1.00 0.00 H new ATOM 397 N CYS A 26 4.975 -9.836 0.618 1.00 0.00 N ATOM 398 CA CYS A 26 3.740 -10.600 0.613 1.00 0.00 C ATOM 399 C CYS A 26 3.995 -12.090 0.841 1.00 0.00 C ATOM 400 O CYS A 26 3.056 -12.886 0.864 1.00 0.00 O ATOM 401 CB CYS A 26 2.999 -10.381 -0.704 1.00 0.00 C ATOM 402 SG CYS A 26 3.933 -10.906 -2.176 1.00 0.00 S ATOM 0 H CYS A 26 5.312 -9.571 -0.307 1.00 0.00 H new ATOM 0 HA CYS A 26 3.122 -10.245 1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.055 -10.925 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.754 -9.323 -0.800 1.00 0.00 H new ATOM 407 N ASP A 27 5.262 -12.469 1.027 1.00 0.00 N ATOM 408 CA ASP A 27 5.603 -13.868 1.272 1.00 0.00 C ATOM 409 C ASP A 27 5.100 -14.771 0.146 1.00 0.00 C ATOM 410 O ASP A 27 4.751 -14.298 -0.935 1.00 0.00 O ATOM 411 CB ASP A 27 4.998 -14.317 2.604 1.00 0.00 C ATOM 412 CG ASP A 27 6.013 -14.995 3.503 1.00 0.00 C ATOM 413 OD1 ASP A 27 6.927 -14.301 3.996 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.894 -16.220 3.714 1.00 0.00 O ATOM 0 H ASP A 27 6.059 -11.833 1.013 1.00 0.00 H new ATOM 0 HA ASP A 27 6.689 -13.951 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.581 -13.452 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.172 -15.002 2.412 1.00 0.00 H new ATOM 419 N ALA A 28 5.061 -16.077 0.415 1.00 0.00 N ATOM 420 CA ALA A 28 4.596 -17.052 -0.566 1.00 0.00 C ATOM 421 C ALA A 28 3.201 -16.694 -1.069 1.00 0.00 C ATOM 422 O ALA A 28 3.036 -16.263 -2.209 1.00 0.00 O ATOM 423 CB ALA A 28 4.601 -18.449 0.036 1.00 0.00 C ATOM 0 H ALA A 28 5.347 -16.482 1.306 1.00 0.00 H new ATOM 0 HA ALA A 28 5.278 -17.034 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.252 -19.166 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.614 -18.709 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.941 -18.474 0.903 1.00 0.00 H new ATOM 429 N PHE A 29 2.201 -16.865 -0.206 1.00 0.00 N ATOM 430 CA PHE A 29 0.822 -16.542 -0.566 1.00 0.00 C ATOM 431 C PHE A 29 0.666 -15.034 -0.719 1.00 0.00 C ATOM 432 O PHE A 29 0.019 -14.374 0.093 1.00 0.00 O ATOM 433 CB PHE A 29 -0.166 -17.074 0.480 1.00 0.00 C ATOM 434 CG PHE A 29 0.355 -17.048 1.891 1.00 0.00 C ATOM 435 CD1 PHE A 29 0.277 -15.893 2.652 1.00 0.00 C ATOM 436 CD2 PHE A 29 0.920 -18.181 2.453 1.00 0.00 C ATOM 437 CE1 PHE A 29 0.754 -15.869 3.949 1.00 0.00 C ATOM 438 CE2 PHE A 29 1.399 -18.163 3.749 1.00 0.00 C ATOM 439 CZ PHE A 29 1.316 -17.006 4.498 1.00 0.00 C ATOM 0 H PHE A 29 2.319 -17.223 0.742 1.00 0.00 H new ATOM 0 HA PHE A 29 0.596 -17.026 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.081 -16.484 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.433 -18.099 0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.161 -15.002 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.987 -19.089 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.688 -14.963 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.838 -19.053 4.176 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.690 -16.990 5.511 1.00 0.00 H new ATOM 449 N CYS A 30 1.286 -14.499 -1.764 1.00 0.00 N ATOM 450 CA CYS A 30 1.254 -13.069 -2.042 1.00 0.00 C ATOM 451 C CYS A 30 -0.170 -12.516 -2.037 1.00 0.00 C ATOM 452 O CYS A 30 -0.416 -11.414 -1.547 1.00 0.00 O ATOM 453 CB CYS A 30 1.909 -12.792 -3.397 1.00 0.00 C ATOM 454 SG CYS A 30 2.506 -11.085 -3.606 1.00 0.00 S ATOM 0 H CYS A 30 1.823 -15.042 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 30 1.807 -12.566 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.747 -13.476 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.190 -13.012 -4.186 1.00 0.00 H new ATOM 459 N SER A 31 -1.100 -13.282 -2.599 1.00 0.00 N ATOM 460 CA SER A 31 -2.501 -12.871 -2.680 1.00 0.00 C ATOM 461 C SER A 31 -3.000 -12.267 -1.365 1.00 0.00 C ATOM 462 O SER A 31 -2.999 -12.927 -0.326 1.00 0.00 O ATOM 463 CB SER A 31 -3.377 -14.064 -3.067 1.00 0.00 C ATOM 464 OG SER A 31 -3.301 -14.323 -4.458 1.00 0.00 O ATOM 0 H SER A 31 -0.909 -14.197 -3.008 1.00 0.00 H new ATOM 0 HA SER A 31 -2.570 -12.099 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.060 -14.947 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.412 -13.865 -2.787 1.00 0.00 H new ATOM 0 HG SER A 31 -3.868 -15.091 -4.679 1.00 0.00 H new ATOM 470 N ILE A 32 -3.435 -11.011 -1.430 1.00 0.00 N ATOM 471 CA ILE A 32 -3.953 -10.308 -0.259 1.00 0.00 C ATOM 472 C ILE A 32 -5.294 -9.643 -0.588 1.00 0.00 C ATOM 473 O ILE A 32 -5.936 -9.993 -1.579 1.00 0.00 O ATOM 474 CB ILE A 32 -2.937 -9.256 0.263 1.00 0.00 C ATOM 475 CG1 ILE A 32 -3.053 -9.105 1.783 1.00 0.00 C ATOM 476 CG2 ILE A 32 -3.129 -7.909 -0.426 1.00 0.00 C ATOM 477 CD1 ILE A 32 -1.943 -9.795 2.546 1.00 0.00 C ATOM 0 H ILE A 32 -3.439 -10.457 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.109 -11.041 0.532 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.935 -9.612 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.052 -8.045 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.012 -9.509 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.402 -7.195 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.985 -8.026 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.137 -7.542 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.090 -9.646 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.957 -10.862 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.982 -9.375 2.250 1.00 0.00 H new ATOM 489 N ARG A 33 -5.715 -8.688 0.237 1.00 0.00 N ATOM 490 CA ARG A 33 -6.976 -7.990 0.012 1.00 0.00 C ATOM 491 C ARG A 33 -6.987 -7.309 -1.354 1.00 0.00 C ATOM 492 O ARG A 33 -7.934 -7.459 -2.126 1.00 0.00 O ATOM 493 CB ARG A 33 -7.215 -6.954 1.113 1.00 0.00 C ATOM 494 CG ARG A 33 -7.091 -7.518 2.519 1.00 0.00 C ATOM 495 CD ARG A 33 -8.120 -8.608 2.774 1.00 0.00 C ATOM 496 NE ARG A 33 -7.676 -9.909 2.280 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.493 -10.936 2.058 1.00 0.00 C ATOM 498 NH1 ARG A 33 -9.795 -10.818 2.285 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.006 -12.084 1.608 1.00 0.00 N ATOM 0 H ARG A 33 -5.203 -8.381 1.064 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.778 -8.728 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.501 -6.139 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.210 -6.527 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.089 -7.921 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.220 -6.717 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.319 -8.675 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.060 -8.339 2.292 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.681 -10.038 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.174 -9.937 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.416 -11.608 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.006 -12.180 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.631 -12.872 1.438 1.00 0.00 H new ATOM 513 N GLY A 34 -5.927 -6.560 -1.646 1.00 0.00 N ATOM 514 CA GLY A 34 -5.835 -5.867 -2.920 1.00 0.00 C ATOM 515 C GLY A 34 -4.589 -5.008 -3.028 1.00 0.00 C ATOM 516 O GLY A 34 -4.664 -3.837 -3.396 1.00 0.00 O ATOM 0 H GLY A 34 -5.131 -6.421 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.839 -6.598 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.717 -5.240 -3.053 1.00 0.00 H new ATOM 520 N LYS A 35 -3.441 -5.592 -2.708 1.00 0.00 N ATOM 521 CA LYS A 35 -2.171 -4.877 -2.768 1.00 0.00 C ATOM 522 C LYS A 35 -1.573 -4.942 -4.169 1.00 0.00 C ATOM 523 O LYS A 35 -1.407 -6.024 -4.734 1.00 0.00 O ATOM 524 CB LYS A 35 -1.187 -5.463 -1.752 1.00 0.00 C ATOM 525 CG LYS A 35 0.167 -4.768 -1.744 1.00 0.00 C ATOM 526 CD LYS A 35 0.483 -4.168 -0.383 1.00 0.00 C ATOM 527 CE LYS A 35 1.531 -4.982 0.360 1.00 0.00 C ATOM 528 NZ LYS A 35 1.982 -4.302 1.605 1.00 0.00 N ATOM 0 H LYS A 35 -3.363 -6.562 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.359 -3.831 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.625 -5.399 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.041 -6.521 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.944 -5.482 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.177 -3.982 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.839 -3.145 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.428 -4.117 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.121 -5.961 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.388 -5.152 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.696 -4.889 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.397 -3.379 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.169 -4.163 2.238 1.00 0.00 H new ATOM 542 N ARG A 36 -1.249 -3.779 -4.724 1.00 0.00 N ATOM 543 CA ARG A 36 -0.666 -3.707 -6.059 1.00 0.00 C ATOM 544 C ARG A 36 0.858 -3.643 -5.992 1.00 0.00 C ATOM 545 O ARG A 36 1.539 -3.923 -6.978 1.00 0.00 O ATOM 546 CB ARG A 36 -1.208 -2.493 -6.815 1.00 0.00 C ATOM 547 CG ARG A 36 -1.677 -2.819 -8.223 1.00 0.00 C ATOM 548 CD ARG A 36 -0.586 -3.500 -9.034 1.00 0.00 C ATOM 549 NE ARG A 36 0.451 -2.562 -9.457 1.00 0.00 N ATOM 550 CZ ARG A 36 0.356 -1.787 -10.535 1.00 0.00 C ATOM 551 NH1 ARG A 36 -0.732 -1.822 -11.294 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.351 -0.971 -10.853 1.00 0.00 N ATOM 0 H ARG A 36 -1.380 -2.875 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.947 -4.613 -6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.039 -2.066 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.431 -1.730 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.553 -3.466 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.986 -1.902 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.135 -4.294 -8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.028 -3.971 -9.912 1.00 0.00 H new ATOM 0 HE ARG A 36 1.298 -2.497 -8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.502 -2.446 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.798 -1.225 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.189 -0.937 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.279 -0.377 -11.679 1.00 0.00 H new ATOM 566 N VAL A 37 1.386 -3.272 -4.826 1.00 0.00 N ATOM 567 CA VAL A 37 2.830 -3.171 -4.625 1.00 0.00 C ATOM 568 C VAL A 37 3.387 -1.891 -5.237 1.00 0.00 C ATOM 569 O VAL A 37 2.746 -1.272 -6.086 1.00 0.00 O ATOM 570 CB VAL A 37 3.577 -4.381 -5.225 1.00 0.00 C ATOM 571 CG1 VAL A 37 5.045 -4.349 -4.835 1.00 0.00 C ATOM 572 CG2 VAL A 37 2.927 -5.682 -4.782 1.00 0.00 C ATOM 0 H VAL A 37 0.832 -3.036 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 37 2.991 -3.156 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 37 3.514 -4.322 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.555 -5.210 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.501 -3.432 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.134 -4.382 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.467 -6.524 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.957 -5.752 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.891 -5.704 -5.119 1.00 0.00 H new ATOM 582 N ASP A 38 4.589 -1.509 -4.793 1.00 0.00 N ATOM 583 CA ASP A 38 5.276 -0.304 -5.276 1.00 0.00 C ATOM 584 C ASP A 38 4.980 0.900 -4.383 1.00 0.00 C ATOM 585 O ASP A 38 4.597 1.965 -4.868 1.00 0.00 O ATOM 586 CB ASP A 38 4.903 0.018 -6.730 1.00 0.00 C ATOM 587 CG ASP A 38 5.011 -1.193 -7.637 1.00 0.00 C ATOM 588 OD1 ASP A 38 6.047 -1.889 -7.576 1.00 0.00 O ATOM 589 OD2 ASP A 38 4.062 -1.445 -8.409 1.00 0.00 O ATOM 0 H ASP A 38 5.114 -2.026 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 38 6.345 -0.514 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.884 0.404 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.555 0.807 -7.103 1.00 0.00 H new ATOM 594 N LEU A 39 5.163 0.726 -3.074 1.00 0.00 N ATOM 595 CA LEU A 39 4.917 1.806 -2.117 1.00 0.00 C ATOM 596 C LEU A 39 5.163 1.344 -0.680 1.00 0.00 C ATOM 597 O LEU A 39 5.098 0.152 -0.380 1.00 0.00 O ATOM 598 CB LEU A 39 3.486 2.328 -2.259 1.00 0.00 C ATOM 599 CG LEU A 39 2.442 1.275 -2.640 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.350 0.197 -1.569 1.00 0.00 C ATOM 601 CD2 LEU A 39 1.084 1.924 -2.870 1.00 0.00 C ATOM 0 H LEU A 39 5.479 -0.148 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 39 5.616 2.612 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.188 2.787 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.477 3.115 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 39 2.756 0.803 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.603 -0.541 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.319 -0.291 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.063 0.650 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.356 1.159 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.762 2.426 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.161 2.652 -3.677 1.00 0.00 H new ATOM 613 N GLY A 40 5.454 2.299 0.204 1.00 0.00 N ATOM 614 CA GLY A 40 5.716 1.975 1.601 1.00 0.00 C ATOM 615 C GLY A 40 6.406 3.105 2.349 1.00 0.00 C ATOM 616 O GLY A 40 7.198 3.848 1.770 1.00 0.00 O ATOM 0 H GLY A 40 5.513 3.292 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.775 1.739 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.336 1.080 1.651 1.00 0.00 H new ATOM 620 N CYS A 41 6.102 3.232 3.642 1.00 0.00 N ATOM 621 CA CYS A 41 6.696 4.279 4.477 1.00 0.00 C ATOM 622 C CYS A 41 7.218 3.707 5.797 1.00 0.00 C ATOM 623 O CYS A 41 6.447 3.489 6.732 1.00 0.00 O ATOM 624 CB CYS A 41 5.677 5.390 4.770 1.00 0.00 C ATOM 625 SG CYS A 41 3.961 5.003 4.284 1.00 0.00 S ATOM 0 H CYS A 41 5.448 2.623 4.134 1.00 0.00 H new ATOM 0 HA CYS A 41 7.534 4.699 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.697 5.609 5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.990 6.297 4.253 1.00 0.00 H new ATOM 630 N ALA A 42 8.533 3.478 5.864 1.00 0.00 N ATOM 631 CA ALA A 42 9.183 2.939 7.065 1.00 0.00 C ATOM 632 C ALA A 42 10.481 2.223 6.704 1.00 0.00 C ATOM 633 O ALA A 42 10.855 2.149 5.535 1.00 0.00 O ATOM 634 CB ALA A 42 8.260 1.986 7.819 1.00 0.00 C ATOM 0 H ALA A 42 9.175 3.659 5.092 1.00 0.00 H new ATOM 0 HA ALA A 42 9.412 3.783 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.773 1.606 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.358 2.518 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.988 1.153 7.170 1.00 0.00 H new ATOM 640 N ALA A 43 11.160 1.689 7.718 1.00 0.00 N ATOM 641 CA ALA A 43 12.415 0.964 7.517 1.00 0.00 C ATOM 642 C ALA A 43 13.345 1.687 6.544 1.00 0.00 C ATOM 643 O ALA A 43 13.130 2.851 6.210 1.00 0.00 O ATOM 644 CB ALA A 43 12.131 -0.446 7.021 1.00 0.00 C ATOM 0 H ALA A 43 10.861 1.745 8.692 1.00 0.00 H new ATOM 0 HA ALA A 43 12.923 0.915 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.072 -0.977 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.526 -0.976 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.591 -0.397 6.075 1.00 0.00 H new ATOM 650 N THR A 44 14.380 0.980 6.093 1.00 0.00 N ATOM 651 CA THR A 44 15.346 1.542 5.157 1.00 0.00 C ATOM 652 C THR A 44 15.608 0.570 4.001 1.00 0.00 C ATOM 653 O THR A 44 14.880 0.573 3.009 1.00 0.00 O ATOM 654 CB THR A 44 16.649 1.885 5.887 1.00 0.00 C ATOM 655 OG1 THR A 44 16.431 2.902 6.848 1.00 0.00 O ATOM 656 CG2 THR A 44 17.752 2.357 4.963 1.00 0.00 C ATOM 0 H THR A 44 14.569 0.015 6.363 1.00 0.00 H new ATOM 0 HA THR A 44 14.933 2.459 4.737 1.00 0.00 H new ATOM 0 HB THR A 44 16.967 0.955 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.274 3.106 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.644 2.582 5.547 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.980 1.575 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.427 3.255 4.437 1.00 0.00 H new ATOM 664 N CYS A 45 16.641 -0.263 4.132 1.00 0.00 N ATOM 665 CA CYS A 45 16.974 -1.230 3.093 1.00 0.00 C ATOM 666 C CYS A 45 17.722 -2.441 3.669 1.00 0.00 C ATOM 667 O CYS A 45 18.735 -2.869 3.115 1.00 0.00 O ATOM 668 CB CYS A 45 17.819 -0.554 2.006 1.00 0.00 C ATOM 669 SG CYS A 45 17.220 -0.836 0.306 1.00 0.00 S ATOM 0 H CYS A 45 17.257 -0.286 4.944 1.00 0.00 H new ATOM 0 HA CYS A 45 16.043 -1.593 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 45 17.844 0.519 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.845 -0.915 2.082 1.00 0.00 H new ATOM 674 N PRO A 46 17.238 -3.015 4.792 1.00 0.00 N ATOM 675 CA PRO A 46 17.871 -4.173 5.423 1.00 0.00 C ATOM 676 C PRO A 46 17.333 -5.496 4.884 1.00 0.00 C ATOM 677 O PRO A 46 16.985 -6.394 5.651 1.00 0.00 O ATOM 678 CB PRO A 46 17.471 -3.996 6.881 1.00 0.00 C ATOM 679 CG PRO A 46 16.101 -3.406 6.817 1.00 0.00 C ATOM 680 CD PRO A 46 16.037 -2.591 5.544 1.00 0.00 C ATOM 0 HA PRO A 46 18.946 -4.215 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.470 -4.948 7.412 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.163 -3.339 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.342 -4.189 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.909 -2.779 7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.123 -2.793 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.053 -1.521 5.753 1.00 0.00 H new ATOM 688 N THR A 47 17.262 -5.606 3.560 1.00 0.00 N ATOM 689 CA THR A 47 16.763 -6.802 2.898 1.00 0.00 C ATOM 690 C THR A 47 16.501 -6.482 1.428 1.00 0.00 C ATOM 691 O THR A 47 17.441 -6.395 0.640 1.00 0.00 O ATOM 692 CB THR A 47 15.495 -7.331 3.588 1.00 0.00 C ATOM 693 OG1 THR A 47 14.748 -8.152 2.707 1.00 0.00 O ATOM 694 CG2 THR A 47 14.572 -6.238 4.089 1.00 0.00 C ATOM 0 H THR A 47 17.549 -4.867 2.918 1.00 0.00 H new ATOM 0 HA THR A 47 17.513 -7.590 2.966 1.00 0.00 H new ATOM 0 HB THR A 47 15.857 -7.895 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.946 -8.480 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.700 -6.688 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.101 -5.619 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.251 -5.620 3.250 1.00 0.00 H new ATOM 702 N VAL A 48 15.238 -6.276 1.054 1.00 0.00 N ATOM 703 CA VAL A 48 14.916 -5.945 -0.327 1.00 0.00 C ATOM 704 C VAL A 48 15.312 -7.081 -1.250 1.00 0.00 C ATOM 705 O VAL A 48 15.707 -6.862 -2.395 1.00 0.00 O ATOM 706 CB VAL A 48 15.666 -4.680 -0.770 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.121 -4.171 -2.093 1.00 0.00 C ATOM 708 CG2 VAL A 48 15.593 -3.606 0.307 1.00 0.00 C ATOM 0 H VAL A 48 14.435 -6.332 1.680 1.00 0.00 H new ATOM 0 HA VAL A 48 13.841 -5.776 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 48 16.716 -4.934 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.665 -3.274 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.243 -4.939 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.063 -3.934 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.131 -2.719 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.550 -3.349 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.046 -3.980 1.225 1.00 0.00 H new ATOM 718 N LYS A 49 15.235 -8.293 -0.732 1.00 0.00 N ATOM 719 CA LYS A 49 15.626 -9.467 -1.496 1.00 0.00 C ATOM 720 C LYS A 49 14.612 -10.590 -1.407 1.00 0.00 C ATOM 721 O LYS A 49 13.479 -10.402 -0.964 1.00 0.00 O ATOM 722 CB LYS A 49 16.977 -9.963 -0.997 1.00 0.00 C ATOM 723 CG LYS A 49 18.007 -8.868 -0.961 1.00 0.00 C ATOM 724 CD LYS A 49 18.249 -8.318 -2.352 1.00 0.00 C ATOM 725 CE LYS A 49 19.731 -8.207 -2.670 1.00 0.00 C ATOM 726 NZ LYS A 49 19.966 -7.589 -4.005 1.00 0.00 N ATOM 0 H LYS A 49 14.906 -8.492 0.213 1.00 0.00 H new ATOM 0 HA LYS A 49 15.685 -9.169 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.861 -10.383 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.328 -10.768 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.672 -8.068 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.940 -9.252 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.768 -8.964 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.785 -7.336 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.224 -7.611 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.184 -9.198 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.989 -7.531 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.517 -8.171 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.556 -6.633 -4.022 1.00 0.00 H new ATOM 740 N THR A 50 15.052 -11.765 -1.839 1.00 0.00 N ATOM 741 CA THR A 50 14.213 -12.965 -1.830 1.00 0.00 C ATOM 742 C THR A 50 12.786 -12.632 -2.286 1.00 0.00 C ATOM 743 O THR A 50 12.602 -11.900 -3.259 1.00 0.00 O ATOM 744 CB THR A 50 14.214 -13.589 -0.430 1.00 0.00 C ATOM 745 OG1 THR A 50 13.404 -14.751 -0.396 1.00 0.00 O ATOM 746 CG2 THR A 50 13.714 -12.649 0.646 1.00 0.00 C ATOM 0 H THR A 50 15.992 -11.917 -2.204 1.00 0.00 H new ATOM 0 HA THR A 50 14.623 -13.690 -2.533 1.00 0.00 H new ATOM 0 HB THR A 50 15.257 -13.829 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.420 -15.135 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.741 -13.154 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.350 -11.765 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.690 -12.350 0.421 1.00 0.00 H new ATOM 754 N GLY A 51 11.780 -13.149 -1.580 1.00 0.00 N ATOM 755 CA GLY A 51 10.404 -12.861 -1.941 1.00 0.00 C ATOM 756 C GLY A 51 9.927 -11.531 -1.381 1.00 0.00 C ATOM 757 O GLY A 51 8.737 -11.221 -1.429 1.00 0.00 O ATOM 0 H GLY A 51 11.894 -13.758 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.310 -12.850 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.760 -13.660 -1.573 1.00 0.00 H new ATOM 761 N VAL A 52 10.861 -10.745 -0.846 1.00 0.00 N ATOM 762 CA VAL A 52 10.541 -9.446 -0.271 1.00 0.00 C ATOM 763 C VAL A 52 11.293 -8.330 -0.993 1.00 0.00 C ATOM 764 O VAL A 52 12.499 -8.164 -0.813 1.00 0.00 O ATOM 765 CB VAL A 52 10.897 -9.405 1.225 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.547 -8.054 1.824 1.00 0.00 C ATOM 767 CG2 VAL A 52 10.193 -10.531 1.963 1.00 0.00 C ATOM 0 H VAL A 52 11.850 -10.990 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 52 9.468 -9.293 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 52 11.972 -9.547 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.807 -8.047 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.104 -7.272 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.478 -7.872 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.453 -10.491 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.114 -10.422 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.506 -11.489 1.548 1.00 0.00 H new ATOM 777 N ASP A 53 10.576 -7.569 -1.810 1.00 0.00 N ATOM 778 CA ASP A 53 11.185 -6.469 -2.560 1.00 0.00 C ATOM 779 C ASP A 53 10.855 -5.115 -1.930 1.00 0.00 C ATOM 780 O ASP A 53 9.696 -4.705 -1.888 1.00 0.00 O ATOM 781 CB ASP A 53 10.715 -6.498 -4.017 1.00 0.00 C ATOM 782 CG ASP A 53 11.845 -6.795 -4.984 1.00 0.00 C ATOM 783 OD1 ASP A 53 12.960 -6.274 -4.772 1.00 0.00 O ATOM 784 OD2 ASP A 53 11.614 -7.549 -5.953 1.00 0.00 O ATOM 0 H ASP A 53 9.576 -7.689 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 53 12.266 -6.602 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.936 -7.253 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.267 -5.537 -4.270 1.00 0.00 H new ATOM 789 N ILE A 54 11.876 -4.416 -1.443 1.00 0.00 N ATOM 790 CA ILE A 54 11.670 -3.113 -0.821 1.00 0.00 C ATOM 791 C ILE A 54 12.405 -2.006 -1.562 1.00 0.00 C ATOM 792 O ILE A 54 13.528 -1.654 -1.205 1.00 0.00 O ATOM 793 CB ILE A 54 12.129 -3.099 0.653 1.00 0.00 C ATOM 794 CG1 ILE A 54 11.452 -4.229 1.437 1.00 0.00 C ATOM 795 CG2 ILE A 54 11.838 -1.742 1.288 1.00 0.00 C ATOM 796 CD1 ILE A 54 11.531 -4.061 2.940 1.00 0.00 C ATOM 0 H ILE A 54 12.847 -4.727 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 54 10.596 -2.930 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 54 13.206 -3.265 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.404 -4.287 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.914 -5.177 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.167 -1.748 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.372 -0.963 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.767 -1.544 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.031 -4.898 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.576 -4.034 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.043 -3.130 3.228 1.00 0.00 H new ATOM 808 N GLN A 55 11.757 -1.431 -2.569 1.00 0.00 N ATOM 809 CA GLN A 55 12.359 -0.333 -3.318 1.00 0.00 C ATOM 810 C GLN A 55 12.561 0.848 -2.378 1.00 0.00 C ATOM 811 O GLN A 55 11.748 1.770 -2.323 1.00 0.00 O ATOM 812 CB GLN A 55 11.482 0.062 -4.510 1.00 0.00 C ATOM 813 CG GLN A 55 12.229 0.090 -5.834 1.00 0.00 C ATOM 814 CD GLN A 55 11.459 -0.582 -6.955 1.00 0.00 C ATOM 815 OE1 GLN A 55 10.591 -1.421 -6.712 1.00 0.00 O ATOM 816 NE2 GLN A 55 11.773 -0.216 -8.193 1.00 0.00 N ATOM 0 H GLN A 55 10.825 -1.702 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 55 13.323 -0.651 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.651 -0.639 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.053 1.047 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.434 1.125 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.193 -0.405 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.499 0.483 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.288 -0.634 -8.987 1.00 0.00 H new ATOM 825 N CYS A 56 13.636 0.773 -1.607 1.00 0.00 N ATOM 826 CA CYS A 56 13.958 1.786 -0.615 1.00 0.00 C ATOM 827 C CYS A 56 14.432 3.098 -1.246 1.00 0.00 C ATOM 828 O CYS A 56 15.517 3.170 -1.823 1.00 0.00 O ATOM 829 CB CYS A 56 14.996 1.225 0.363 1.00 0.00 C ATOM 830 SG CYS A 56 16.666 1.012 -0.334 1.00 0.00 S ATOM 0 H CYS A 56 14.309 0.008 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 56 13.046 2.031 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.059 1.890 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.645 0.260 0.730 1.00 0.00 H new ATOM 835 N CYS A 57 13.601 4.139 -1.122 1.00 0.00 N ATOM 836 CA CYS A 57 13.918 5.453 -1.662 1.00 0.00 C ATOM 837 C CYS A 57 13.684 6.530 -0.603 1.00 0.00 C ATOM 838 O CYS A 57 12.627 6.574 0.035 1.00 0.00 O ATOM 839 CB CYS A 57 13.063 5.742 -2.900 1.00 0.00 C ATOM 840 SG CYS A 57 11.273 5.826 -2.566 1.00 0.00 S ATOM 0 H CYS A 57 12.699 4.089 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 57 14.969 5.464 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.385 6.687 -3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.247 4.967 -3.644 1.00 0.00 H new ATOM 845 N SER A 58 14.675 7.395 -0.416 1.00 0.00 N ATOM 846 CA SER A 58 14.576 8.467 0.565 1.00 0.00 C ATOM 847 C SER A 58 14.821 9.821 -0.095 1.00 0.00 C ATOM 848 O SER A 58 15.938 10.340 -0.073 1.00 0.00 O ATOM 849 CB SER A 58 15.582 8.244 1.695 1.00 0.00 C ATOM 850 OG SER A 58 15.016 8.570 2.953 1.00 0.00 O ATOM 0 H SER A 58 15.555 7.374 -0.931 1.00 0.00 H new ATOM 0 HA SER A 58 13.569 8.461 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.906 7.203 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.469 8.854 1.522 1.00 0.00 H new ATOM 0 HG SER A 58 15.614 8.270 3.669 1.00 0.00 H new ATOM 856 N THR A 59 13.773 10.387 -0.686 1.00 0.00 N ATOM 857 CA THR A 59 13.881 11.681 -1.356 1.00 0.00 C ATOM 858 C THR A 59 13.287 12.791 -0.494 1.00 0.00 C ATOM 859 O THR A 59 13.946 13.792 -0.214 1.00 0.00 O ATOM 860 CB THR A 59 13.185 11.644 -2.727 1.00 0.00 C ATOM 861 OG1 THR A 59 12.871 12.956 -3.167 1.00 0.00 O ATOM 862 CG2 THR A 59 11.900 10.833 -2.748 1.00 0.00 C ATOM 0 H THR A 59 12.842 9.972 -0.715 1.00 0.00 H new ATOM 0 HA THR A 59 14.940 11.892 -1.509 1.00 0.00 H new ATOM 0 HB THR A 59 13.902 11.160 -3.390 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.985 13.209 -2.835 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.471 10.857 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.116 9.801 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.190 11.258 -2.039 1.00 0.00 H new ATOM 870 N ASP A 60 12.036 12.599 -0.084 1.00 0.00 N ATOM 871 CA ASP A 60 11.315 13.565 0.746 1.00 0.00 C ATOM 872 C ASP A 60 9.817 13.336 0.610 1.00 0.00 C ATOM 873 O ASP A 60 9.056 13.508 1.562 1.00 0.00 O ATOM 874 CB ASP A 60 11.652 15.008 0.348 1.00 0.00 C ATOM 875 CG ASP A 60 11.708 15.199 -1.156 1.00 0.00 C ATOM 876 OD1 ASP A 60 11.153 14.350 -1.883 1.00 0.00 O ATOM 877 OD2 ASP A 60 12.310 16.197 -1.606 1.00 0.00 O ATOM 0 H ASP A 60 11.491 11.769 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 60 11.623 13.418 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.905 15.681 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.612 15.286 0.782 1.00 0.00 H new ATOM 882 N ASN A 61 9.409 12.938 -0.590 1.00 0.00 N ATOM 883 CA ASN A 61 8.009 12.668 -0.882 1.00 0.00 C ATOM 884 C ASN A 61 7.894 11.592 -1.958 1.00 0.00 C ATOM 885 O ASN A 61 7.184 11.762 -2.949 1.00 0.00 O ATOM 886 CB ASN A 61 7.306 13.950 -1.337 1.00 0.00 C ATOM 887 CG ASN A 61 7.899 14.515 -2.613 1.00 0.00 C ATOM 888 OD1 ASN A 61 8.978 14.108 -3.043 1.00 0.00 O ATOM 889 ND2 ASN A 61 7.195 15.460 -3.225 1.00 0.00 N ATOM 0 H ASN A 61 10.036 12.795 -1.382 1.00 0.00 H new ATOM 0 HA ASN A 61 7.525 12.308 0.026 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.247 13.744 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.373 14.698 -0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.544 15.879 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.305 15.767 -2.833 1.00 0.00 H new ATOM 896 N CYS A 62 8.605 10.483 -1.754 1.00 0.00 N ATOM 897 CA CYS A 62 8.593 9.372 -2.698 1.00 0.00 C ATOM 898 C CYS A 62 7.173 8.901 -2.949 1.00 0.00 C ATOM 899 O CYS A 62 6.655 8.033 -2.248 1.00 0.00 O ATOM 900 CB CYS A 62 9.454 8.216 -2.179 1.00 0.00 C ATOM 901 SG CYS A 62 10.699 7.606 -3.361 1.00 0.00 S ATOM 0 H CYS A 62 9.199 10.333 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 62 9.013 9.720 -3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.962 8.539 -1.270 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.800 7.389 -1.902 1.00 0.00 H new ATOM 906 N ASN A 63 6.555 9.498 -3.952 1.00 0.00 N ATOM 907 CA ASN A 63 5.190 9.173 -4.320 1.00 0.00 C ATOM 908 C ASN A 63 4.752 9.919 -5.584 1.00 0.00 C ATOM 909 O ASN A 63 3.674 10.512 -5.620 1.00 0.00 O ATOM 910 CB ASN A 63 4.262 9.498 -3.154 1.00 0.00 C ATOM 911 CG ASN A 63 4.159 10.986 -2.871 1.00 0.00 C ATOM 912 OD1 ASN A 63 3.435 11.713 -3.550 1.00 0.00 O ATOM 913 ND2 ASN A 63 4.880 11.445 -1.855 1.00 0.00 N ATOM 0 H ASN A 63 6.984 10.219 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 63 5.136 8.107 -4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.268 9.105 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.620 8.988 -2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.846 12.435 -1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.468 10.808 -1.318 1.00 0.00 H new ATOM 920 N PRO A 64 5.578 9.892 -6.651 1.00 0.00 N ATOM 921 CA PRO A 64 5.252 10.565 -7.913 1.00 0.00 C ATOM 922 C PRO A 64 4.174 9.825 -8.697 1.00 0.00 C ATOM 923 O PRO A 64 4.379 8.693 -9.134 1.00 0.00 O ATOM 924 CB PRO A 64 6.577 10.538 -8.675 1.00 0.00 C ATOM 925 CG PRO A 64 7.272 9.324 -8.166 1.00 0.00 C ATOM 926 CD PRO A 64 6.882 9.201 -6.718 1.00 0.00 C ATOM 0 HA PRO A 64 4.854 11.567 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.415 10.481 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.162 11.439 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.973 8.439 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.353 9.419 -8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.800 8.158 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.618 9.668 -6.063 1.00 0.00 H new ATOM 934 N PHE A 65 3.025 10.469 -8.870 1.00 0.00 N ATOM 935 CA PHE A 65 1.917 9.865 -9.600 1.00 0.00 C ATOM 936 C PHE A 65 1.467 8.573 -8.922 1.00 0.00 C ATOM 937 O PHE A 65 2.046 7.511 -9.152 1.00 0.00 O ATOM 938 CB PHE A 65 2.329 9.577 -11.045 1.00 0.00 C ATOM 939 CG PHE A 65 2.649 10.813 -11.837 1.00 0.00 C ATOM 940 CD1 PHE A 65 1.642 11.530 -12.464 1.00 0.00 C ATOM 941 CD2 PHE A 65 3.956 11.258 -11.953 1.00 0.00 C ATOM 942 CE1 PHE A 65 1.934 12.667 -13.193 1.00 0.00 C ATOM 943 CE2 PHE A 65 4.254 12.394 -12.681 1.00 0.00 C ATOM 944 CZ PHE A 65 3.241 13.100 -13.302 1.00 0.00 C ATOM 0 H PHE A 65 2.837 11.407 -8.516 1.00 0.00 H new ATOM 0 HA PHE A 65 1.084 10.568 -9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.200 8.922 -11.042 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.525 9.035 -11.542 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.618 11.196 -12.382 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.751 10.711 -11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.141 13.217 -13.677 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.277 12.730 -12.765 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.471 13.988 -13.871 1.00 0.00 H new ATOM 954 N PRO A 66 0.426 8.641 -8.073 1.00 0.00 N ATOM 955 CA PRO A 66 -0.087 7.464 -7.366 1.00 0.00 C ATOM 956 C PRO A 66 -0.553 6.374 -8.324 1.00 0.00 C ATOM 957 O PRO A 66 -1.577 6.516 -8.992 1.00 0.00 O ATOM 958 CB PRO A 66 -1.270 8.006 -6.552 1.00 0.00 C ATOM 959 CG PRO A 66 -1.615 9.312 -7.182 1.00 0.00 C ATOM 960 CD PRO A 66 -0.330 9.858 -7.733 1.00 0.00 C ATOM 0 HA PRO A 66 0.682 6.997 -6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.116 7.319 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.000 8.134 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.354 9.181 -7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.048 9.995 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.500 10.486 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.197 10.469 -7.000 1.00 0.00 H new ATOM 968 N THR A 67 0.207 5.286 -8.387 1.00 0.00 N ATOM 969 CA THR A 67 -0.125 4.171 -9.264 1.00 0.00 C ATOM 970 C THR A 67 -1.058 3.190 -8.562 1.00 0.00 C ATOM 971 O THR A 67 -0.632 2.421 -7.700 1.00 0.00 O ATOM 972 CB THR A 67 1.148 3.451 -9.713 1.00 0.00 C ATOM 973 OG1 THR A 67 2.250 4.341 -9.726 1.00 0.00 O ATOM 974 CG2 THR A 67 1.036 2.840 -11.091 1.00 0.00 C ATOM 0 H THR A 67 1.058 5.153 -7.840 1.00 0.00 H new ATOM 0 HA THR A 67 -0.636 4.569 -10.141 1.00 0.00 H new ATOM 0 HB THR A 67 1.296 2.650 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.055 3.861 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.973 2.345 -11.347 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.226 2.110 -11.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.828 3.623 -11.820 1.00 0.00 H new ATOM 982 N ARG A 68 -2.334 3.223 -8.934 1.00 0.00 N ATOM 983 CA ARG A 68 -3.328 2.336 -8.336 1.00 0.00 C ATOM 984 C ARG A 68 -4.162 1.649 -9.415 1.00 0.00 C ATOM 985 O ARG A 68 -3.800 1.655 -10.592 1.00 0.00 O ATOM 986 CB ARG A 68 -4.245 3.111 -7.382 1.00 0.00 C ATOM 987 CG ARG A 68 -3.671 4.438 -6.907 1.00 0.00 C ATOM 988 CD ARG A 68 -4.034 5.570 -7.854 1.00 0.00 C ATOM 989 NE ARG A 68 -5.470 5.626 -8.115 1.00 0.00 N ATOM 990 CZ ARG A 68 -6.352 6.196 -7.297 1.00 0.00 C ATOM 991 NH1 ARG A 68 -5.949 6.761 -6.165 1.00 0.00 N ATOM 992 NH2 ARG A 68 -7.640 6.202 -7.611 1.00 0.00 N ATOM 0 H ARG A 68 -2.704 3.853 -9.646 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.795 1.574 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.196 3.297 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.457 2.488 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.047 4.662 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.587 4.360 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.706 6.518 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.499 5.441 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.818 5.203 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.959 6.760 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.629 7.196 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.955 5.770 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.316 6.639 -6.984 1.00 0.00 H new ATOM 1006 N LYS A 69 -5.280 1.056 -9.005 1.00 0.00 N ATOM 1007 CA LYS A 69 -6.164 0.363 -9.935 1.00 0.00 C ATOM 1008 C LYS A 69 -6.685 1.317 -11.003 1.00 0.00 C ATOM 1009 O LYS A 69 -6.546 2.535 -10.884 1.00 0.00 O ATOM 1010 CB LYS A 69 -7.338 -0.273 -9.185 1.00 0.00 C ATOM 1011 CG LYS A 69 -7.946 0.626 -8.121 1.00 0.00 C ATOM 1012 CD LYS A 69 -9.293 0.101 -7.651 1.00 0.00 C ATOM 1013 CE LYS A 69 -9.163 -1.270 -7.006 1.00 0.00 C ATOM 1014 NZ LYS A 69 -10.174 -1.478 -5.932 1.00 0.00 N ATOM 0 H LYS A 69 -5.594 1.042 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.588 -0.423 -10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.112 -0.544 -9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.000 -1.197 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.266 0.698 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.066 1.633 -8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.728 0.800 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.977 0.043 -8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.278 -2.042 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.162 -1.381 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.051 -2.424 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.048 -0.758 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.130 -1.398 -6.334 1.00 0.00 H new ATOM 1028 N ARG A 70 -7.286 0.756 -12.046 1.00 0.00 N ATOM 1029 CA ARG A 70 -7.828 1.557 -13.136 1.00 0.00 C ATOM 1030 C ARG A 70 -9.162 0.992 -13.617 1.00 0.00 C ATOM 1031 O ARG A 70 -9.429 -0.201 -13.473 1.00 0.00 O ATOM 1032 CB ARG A 70 -6.836 1.612 -14.299 1.00 0.00 C ATOM 1033 CG ARG A 70 -5.460 2.121 -13.901 1.00 0.00 C ATOM 1034 CD ARG A 70 -4.892 3.070 -14.944 1.00 0.00 C ATOM 1035 NE ARG A 70 -4.686 2.410 -16.231 1.00 0.00 N ATOM 1036 CZ ARG A 70 -3.998 2.945 -17.236 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -3.448 4.147 -17.107 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -3.858 2.278 -18.373 1.00 0.00 N ATOM 0 H ARG A 70 -7.410 -0.250 -12.159 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.995 2.567 -12.762 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.735 0.615 -14.727 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.240 2.255 -15.080 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.524 2.631 -12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.783 1.277 -13.769 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.570 3.914 -15.074 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.944 3.474 -14.588 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.094 1.485 -16.367 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.552 4.664 -16.234 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.921 4.553 -17.881 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.278 1.354 -18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.330 2.688 -19.143 1.00 0.00 H new ATOM 1052 N PRO A 71 -10.021 1.848 -14.197 1.00 0.00 N ATOM 1053 CA PRO A 71 -11.334 1.429 -14.701 1.00 0.00 C ATOM 1054 C PRO A 71 -11.222 0.506 -15.909 1.00 0.00 C ATOM 1055 O PRO A 71 -10.489 0.858 -16.857 1.00 0.00 O ATOM 1056 CB PRO A 71 -12.003 2.748 -15.096 1.00 0.00 C ATOM 1057 CG PRO A 71 -10.875 3.685 -15.357 1.00 0.00 C ATOM 1058 CD PRO A 71 -9.781 3.287 -14.408 1.00 0.00 C ATOM 1059 OXT PRO A 71 -11.868 -0.563 -15.897 1.00 0.00 O ATOM 0 HA PRO A 71 -11.892 0.860 -13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.628 2.625 -15.981 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.648 3.118 -14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.540 3.614 -16.392 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.179 4.718 -15.191 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.794 3.472 -14.832 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.836 3.845 -13.473 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -27.806 -7.339 1.182 1.00 0.00 N ATOM 1069 CA TYR B 181 -27.622 -6.014 0.531 1.00 0.00 C ATOM 1070 C TYR B 181 -26.705 -5.117 1.356 1.00 0.00 C ATOM 1071 O TYR B 181 -26.518 -5.338 2.552 1.00 0.00 O ATOM 1072 CB TYR B 181 -28.993 -5.350 0.355 1.00 0.00 C ATOM 1073 CG TYR B 181 -30.000 -5.717 1.424 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -29.896 -5.202 2.711 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -31.054 -6.577 1.145 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -30.815 -5.536 3.688 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -31.977 -6.915 2.117 1.00 0.00 C ATOM 1078 CZ TYR B 181 -31.853 -6.392 3.386 1.00 0.00 C ATOM 1079 OH TYR B 181 -32.770 -6.726 4.356 1.00 0.00 O ATOM 0 HA TYR B 181 -27.153 -6.161 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -28.863 -4.268 0.350 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -29.396 -5.627 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -29.085 -4.531 2.951 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -31.154 -6.989 0.152 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -30.720 -5.128 4.684 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -32.791 -7.585 1.883 1.00 0.00 H new ATOM 0 HH TYR B 181 -33.437 -7.337 3.979 1.00 0.00 H new ATOM 1091 N ARG B 182 -26.135 -4.104 0.708 1.00 0.00 N ATOM 1092 CA ARG B 182 -25.232 -3.167 1.376 1.00 0.00 C ATOM 1093 C ARG B 182 -23.867 -3.802 1.627 1.00 0.00 C ATOM 1094 O ARG B 182 -22.847 -3.309 1.147 1.00 0.00 O ATOM 1095 CB ARG B 182 -25.837 -2.680 2.697 1.00 0.00 C ATOM 1096 CG ARG B 182 -25.697 -1.181 2.913 1.00 0.00 C ATOM 1097 CD ARG B 182 -25.976 -0.796 4.356 1.00 0.00 C ATOM 1098 NE ARG B 182 -24.746 -0.625 5.125 1.00 0.00 N ATOM 1099 CZ ARG B 182 -24.714 -0.470 6.447 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -25.840 -0.464 7.149 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -23.552 -0.322 7.068 1.00 0.00 N ATOM 0 H ARG B 182 -26.282 -3.910 -0.282 1.00 0.00 H new ATOM 0 HA ARG B 182 -25.095 -2.311 0.716 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -26.894 -2.946 2.723 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -25.356 -3.204 3.523 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -24.690 -0.866 2.640 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -26.386 -0.652 2.255 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -26.550 0.130 4.379 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -26.592 -1.564 4.823 1.00 0.00 H new ATOM 0 HE ARG B 182 -23.860 -0.624 4.620 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -26.736 -0.579 6.676 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -25.809 -0.345 8.162 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -22.684 -0.327 6.533 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -23.526 -0.203 8.081 1.00 0.00 H new ATOM 1115 N GLY B 183 -23.853 -4.898 2.382 1.00 0.00 N ATOM 1116 CA GLY B 183 -22.605 -5.580 2.683 1.00 0.00 C ATOM 1117 C GLY B 183 -21.740 -5.791 1.454 1.00 0.00 C ATOM 1118 O GLY B 183 -21.927 -6.755 0.711 1.00 0.00 O ATOM 0 H GLY B 183 -24.684 -5.326 2.791 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -22.048 -5.000 3.419 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -22.824 -6.546 3.138 1.00 0.00 H new ATOM 1122 N TRP B 184 -20.793 -4.883 1.240 1.00 0.00 N ATOM 1123 CA TRP B 184 -19.895 -4.968 0.093 1.00 0.00 C ATOM 1124 C TRP B 184 -18.484 -4.522 0.466 1.00 0.00 C ATOM 1125 O TRP B 184 -17.500 -5.135 0.053 1.00 0.00 O ATOM 1126 CB TRP B 184 -20.424 -4.108 -1.057 1.00 0.00 C ATOM 1127 CG TRP B 184 -21.360 -4.843 -1.966 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -22.637 -4.484 -2.291 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -21.094 -6.062 -2.668 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -23.181 -5.406 -3.152 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -22.253 -6.385 -3.399 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -19.988 -6.913 -2.750 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -22.337 -7.520 -4.200 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -20.072 -8.040 -3.545 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -21.239 -8.335 -4.262 1.00 0.00 C ATOM 0 H TRP B 184 -20.627 -4.079 1.846 1.00 0.00 H new ATOM 0 HA TRP B 184 -19.853 -6.010 -0.225 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -20.937 -3.239 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -19.582 -3.735 -1.639 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -23.145 -3.604 -1.925 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -24.122 -5.368 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -19.084 -6.693 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -23.236 -7.749 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -19.224 -8.705 -3.615 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -21.273 -9.223 -4.876 1.00 0.00 H new ATOM 1146 N LYS B 185 -18.393 -3.448 1.243 1.00 0.00 N ATOM 1147 CA LYS B 185 -17.103 -2.917 1.666 1.00 0.00 C ATOM 1148 C LYS B 185 -16.516 -3.733 2.816 1.00 0.00 C ATOM 1149 O LYS B 185 -16.488 -3.281 3.961 1.00 0.00 O ATOM 1150 CB LYS B 185 -17.246 -1.450 2.080 1.00 0.00 C ATOM 1151 CG LYS B 185 -16.636 -0.478 1.083 1.00 0.00 C ATOM 1152 CD LYS B 185 -17.602 0.643 0.734 1.00 0.00 C ATOM 1153 CE LYS B 185 -18.465 0.279 -0.464 1.00 0.00 C ATOM 1154 NZ LYS B 185 -19.158 1.469 -1.030 1.00 0.00 N ATOM 0 H LYS B 185 -19.198 -2.928 1.593 1.00 0.00 H new ATOM 0 HA LYS B 185 -16.418 -2.986 0.821 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -18.304 -1.217 2.203 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -16.773 -1.307 3.051 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -15.721 -0.055 1.499 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -16.356 -1.014 0.176 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -18.239 0.856 1.592 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -17.043 1.553 0.518 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -17.844 -0.179 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -19.204 -0.465 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -19.736 1.179 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -19.771 1.892 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -18.452 2.168 -1.338 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.037 -4.932 2.501 1.00 0.00 N ATOM 1169 CA HIS B 186 -15.439 -5.802 3.508 1.00 0.00 C ATOM 1170 C HIS B 186 -13.930 -5.879 3.338 1.00 0.00 C ATOM 1171 O HIS B 186 -13.220 -6.336 4.233 1.00 0.00 O ATOM 1172 CB HIS B 186 -16.049 -7.205 3.450 1.00 0.00 C ATOM 1173 CG HIS B 186 -16.185 -7.754 2.063 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -17.217 -7.410 1.215 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -15.419 -8.639 1.381 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -17.081 -8.060 0.073 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -15.999 -8.811 0.148 1.00 0.00 N ATOM 0 H HIS B 186 -16.051 -5.323 1.559 1.00 0.00 H new ATOM 0 HA HIS B 186 -15.653 -5.370 4.486 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -15.431 -7.883 4.039 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -17.033 -7.182 3.919 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -14.521 -9.119 1.740 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -17.743 -7.989 -0.777 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -15.649 -9.421 -0.591 1.00 0.00 H new ATOM 1186 N TRP B 187 -13.439 -5.432 2.190 1.00 0.00 N ATOM 1187 CA TRP B 187 -12.014 -5.460 1.930 1.00 0.00 C ATOM 1188 C TRP B 187 -11.641 -4.497 0.797 1.00 0.00 C ATOM 1189 O TRP B 187 -11.526 -4.886 -0.363 1.00 0.00 O ATOM 1190 CB TRP B 187 -11.588 -6.907 1.645 1.00 0.00 C ATOM 1191 CG TRP B 187 -11.558 -7.291 0.192 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -10.474 -7.724 -0.516 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -12.658 -7.277 -0.728 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -10.830 -7.979 -1.818 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -12.165 -7.712 -1.974 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -14.010 -6.939 -0.621 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -12.976 -7.817 -3.101 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -14.814 -7.044 -1.741 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -14.295 -7.480 -2.966 1.00 0.00 C ATOM 0 H TRP B 187 -14.004 -5.049 1.432 1.00 0.00 H new ATOM 0 HA TRP B 187 -11.469 -5.112 2.808 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -10.596 -7.067 2.067 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -12.269 -7.579 2.168 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -9.480 -7.848 -0.111 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -10.203 -8.313 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -14.419 -6.602 0.320 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -12.578 -8.152 -4.047 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -15.860 -6.785 -1.670 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -14.949 -7.552 -3.822 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.463 -3.226 1.141 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.117 -2.222 0.145 1.00 0.00 C ATOM 1212 C VAL B 188 -9.711 -2.450 -0.411 1.00 0.00 C ATOM 1213 O VAL B 188 -9.524 -3.276 -1.304 1.00 0.00 O ATOM 1214 CB VAL B 188 -11.241 -0.791 0.700 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.049 0.225 -0.416 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -12.585 -0.600 1.388 1.00 0.00 C ATOM 0 H VAL B 188 -11.552 -2.870 2.093 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.835 -2.330 -0.668 1.00 0.00 H new ATOM 0 HB VAL B 188 -10.459 -0.634 1.442 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.139 1.233 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.060 0.099 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.810 0.073 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -12.655 0.417 1.774 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.388 -0.772 0.672 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -12.676 -1.308 2.212 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.721 -1.720 0.105 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.354 -1.865 -0.367 1.00 0.00 C ATOM 1228 C TYR B 189 -7.251 -1.488 -1.832 1.00 0.00 C ATOM 1229 O TYR B 189 -8.232 -1.571 -2.572 1.00 0.00 O ATOM 1230 CB TYR B 189 -6.863 -3.300 -0.176 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.455 -3.367 0.353 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.368 -3.054 -0.453 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -5.219 -3.721 1.669 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.080 -3.093 0.047 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -3.937 -3.767 2.177 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.871 -3.450 1.364 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.593 -3.488 1.870 1.00 0.00 O ATOM 0 H TYR B 189 -8.844 -1.028 0.845 1.00 0.00 H new ATOM 0 HA TYR B 189 -6.727 -1.194 0.220 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -7.530 -3.819 0.512 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -6.914 -3.827 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -4.531 -2.777 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -6.053 -3.966 2.310 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.243 -2.846 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.770 -4.050 3.206 1.00 0.00 H new ATOM 0 HH TYR B 189 -1.454 -2.722 2.466 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.058 -1.077 -2.253 1.00 0.00 N ATOM 1248 CA TYR B 190 -5.832 -0.697 -3.642 1.00 0.00 C ATOM 1249 C TYR B 190 -6.406 0.691 -3.943 1.00 0.00 C ATOM 1250 O TYR B 190 -6.258 1.205 -5.050 1.00 0.00 O ATOM 1251 CB TYR B 190 -6.457 -1.746 -4.556 1.00 0.00 C ATOM 1252 CG TYR B 190 -5.791 -1.881 -5.911 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.825 -0.974 -6.336 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -6.132 -2.921 -6.766 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -4.221 -1.102 -7.572 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -5.531 -3.055 -8.003 1.00 0.00 C ATOM 1257 CZ TYR B 190 -4.577 -2.144 -8.401 1.00 0.00 C ATOM 1258 OH TYR B 190 -3.976 -2.274 -9.632 1.00 0.00 O ATOM 0 H TYR B 190 -5.236 -0.999 -1.654 1.00 0.00 H new ATOM 0 HA TYR B 190 -4.758 -0.649 -3.822 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -6.426 -2.712 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.508 -1.499 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.543 -0.157 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.880 -3.637 -6.459 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -3.473 -0.389 -7.887 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -5.808 -3.870 -8.655 1.00 0.00 H new ATOM 0 HH TYR B 190 -4.338 -3.060 -10.091 1.00 0.00 H new ATOM 1268 N THR B 191 -7.049 1.285 -2.940 1.00 0.00 N ATOM 1269 CA THR B 191 -7.642 2.616 -3.054 1.00 0.00 C ATOM 1270 C THR B 191 -8.690 2.694 -4.160 1.00 0.00 C ATOM 1271 O THR B 191 -8.632 1.964 -5.150 1.00 0.00 O ATOM 1272 CB THR B 191 -6.555 3.681 -3.268 1.00 0.00 C ATOM 1273 OG1 THR B 191 -7.039 4.962 -2.908 1.00 0.00 O ATOM 1274 CG2 THR B 191 -6.040 3.777 -4.692 1.00 0.00 C ATOM 0 H THR B 191 -7.174 0.856 -2.023 1.00 0.00 H new ATOM 0 HA THR B 191 -8.153 2.816 -2.112 1.00 0.00 H new ATOM 0 HB THR B 191 -5.729 3.361 -2.633 1.00 0.00 H new ATOM 0 HG1 THR B 191 -6.335 5.629 -3.048 1.00 0.00 H new ATOM 0 HG21 THR B 191 -5.277 4.553 -4.751 1.00 0.00 H new ATOM 0 HG22 THR B 191 -5.609 2.821 -4.988 1.00 0.00 H new ATOM 0 HG23 THR B 191 -6.864 4.027 -5.361 1.00 0.00 H new ATOM 1282 N CYS B 192 -9.639 3.605 -3.977 1.00 0.00 N ATOM 1283 CA CYS B 192 -10.710 3.826 -4.941 1.00 0.00 C ATOM 1284 C CYS B 192 -11.683 4.844 -4.424 1.00 0.00 C ATOM 1285 O CYS B 192 -12.132 5.733 -5.148 1.00 0.00 O ATOM 1286 CB CYS B 192 -11.513 2.536 -5.218 1.00 0.00 C ATOM 1287 SG CYS B 192 -13.048 2.312 -4.199 1.00 0.00 S ATOM 0 H CYS B 192 -9.688 4.210 -3.157 1.00 0.00 H new ATOM 0 HA CYS B 192 -10.229 4.168 -5.857 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -11.793 2.523 -6.271 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -10.860 1.680 -5.051 1.00 0.00 H new ATOM 1292 N CYS B 193 -12.094 4.624 -3.190 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.118 5.433 -2.603 1.00 0.00 C ATOM 1294 C CYS B 193 -13.085 5.353 -1.071 1.00 0.00 C ATOM 1295 O CYS B 193 -12.857 6.362 -0.404 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.463 4.949 -3.178 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.326 3.856 -4.674 1.00 0.00 S ATOM 0 H CYS B 193 -11.728 3.890 -2.584 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.965 6.485 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -15.001 4.409 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -15.066 5.820 -3.436 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.301 4.156 -0.480 1.00 0.00 N ATOM 1303 CA PRO B 194 -13.284 3.969 0.962 1.00 0.00 C ATOM 1304 C PRO B 194 -11.948 3.417 1.455 1.00 0.00 C ATOM 1305 O PRO B 194 -11.356 2.553 0.815 1.00 0.00 O ATOM 1306 CB PRO B 194 -14.380 2.929 1.146 1.00 0.00 C ATOM 1307 CG PRO B 194 -14.299 2.072 -0.082 1.00 0.00 C ATOM 1308 CD PRO B 194 -13.582 2.877 -1.149 1.00 0.00 C ATOM 0 HA PRO B 194 -13.429 4.896 1.517 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -14.221 2.342 2.050 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -15.360 3.398 1.238 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -13.760 1.148 0.129 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -15.296 1.789 -0.419 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -12.666 2.385 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -14.203 3.014 -2.034 1.00 0.00 H new ATOM 1316 N ASP B 195 -11.480 3.913 2.593 1.00 0.00 N ATOM 1317 CA ASP B 195 -10.216 3.450 3.159 1.00 0.00 C ATOM 1318 C ASP B 195 -10.443 2.274 4.106 1.00 0.00 C ATOM 1319 O ASP B 195 -11.254 2.365 5.023 1.00 0.00 O ATOM 1320 CB ASP B 195 -9.517 4.592 3.900 1.00 0.00 C ATOM 1321 CG ASP B 195 -10.428 5.275 4.901 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -11.201 6.165 4.489 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -10.371 4.918 6.097 1.00 0.00 O ATOM 0 H ASP B 195 -11.952 4.632 3.141 1.00 0.00 H new ATOM 0 HA ASP B 195 -9.579 3.115 2.340 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -8.640 4.203 4.418 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -9.161 5.326 3.177 1.00 0.00 H new ATOM 1328 N THR B 196 -9.730 1.170 3.868 1.00 0.00 N ATOM 1329 CA THR B 196 -9.848 -0.029 4.702 1.00 0.00 C ATOM 1330 C THR B 196 -8.836 -0.050 5.855 1.00 0.00 C ATOM 1331 O THR B 196 -7.754 -0.616 5.717 1.00 0.00 O ATOM 1332 CB THR B 196 -9.697 -1.295 3.855 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.769 -2.451 4.669 1.00 0.00 O ATOM 1334 CG2 THR B 196 -8.396 -1.361 3.083 1.00 0.00 C ATOM 0 H THR B 196 -9.063 1.082 3.102 1.00 0.00 H new ATOM 0 HA THR B 196 -10.845 -0.002 5.143 1.00 0.00 H new ATOM 0 HB THR B 196 -10.518 -1.257 3.139 1.00 0.00 H new ATOM 0 HG1 THR B 196 -9.672 -3.251 4.111 1.00 0.00 H new ATOM 0 HG21 THR B 196 -8.361 -2.286 2.507 1.00 0.00 H new ATOM 0 HG22 THR B 196 -8.331 -0.509 2.406 1.00 0.00 H new ATOM 0 HG23 THR B 196 -7.558 -1.336 3.780 1.00 0.00 H new ATOM 1342 N PRO B 197 -9.174 0.546 7.017 1.00 0.00 N ATOM 1343 CA PRO B 197 -8.285 0.565 8.181 1.00 0.00 C ATOM 1344 C PRO B 197 -8.400 -0.705 9.018 1.00 0.00 C ATOM 1345 O PRO B 197 -7.433 -1.143 9.641 1.00 0.00 O ATOM 1346 CB PRO B 197 -8.806 1.761 8.967 1.00 0.00 C ATOM 1347 CG PRO B 197 -10.274 1.735 8.717 1.00 0.00 C ATOM 1348 CD PRO B 197 -10.446 1.238 7.303 1.00 0.00 C ATOM 0 HA PRO B 197 -7.233 0.627 7.904 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -8.579 1.672 10.029 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -8.358 2.693 8.622 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -10.779 1.078 9.426 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -10.708 2.728 8.837 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -11.297 0.563 7.217 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -10.620 2.060 6.608 1.00 0.00 H new ATOM 1356 N TYR B 198 -9.595 -1.286 9.031 1.00 0.00 N ATOM 1357 CA TYR B 198 -9.852 -2.502 9.795 1.00 0.00 C ATOM 1358 C TYR B 198 -9.369 -3.734 9.035 1.00 0.00 C ATOM 1359 O TYR B 198 -8.507 -3.578 8.144 1.00 0.00 O ATOM 1360 CB TYR B 198 -11.348 -2.635 10.107 1.00 0.00 C ATOM 1361 CG TYR B 198 -12.086 -1.312 10.164 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -12.057 -0.527 11.310 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -12.809 -0.851 9.071 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -12.729 0.680 11.364 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -13.482 0.355 9.117 1.00 0.00 C ATOM 1366 CZ TYR B 198 -13.439 1.116 10.265 1.00 0.00 C ATOM 1367 OH TYR B 198 -14.110 2.317 10.315 1.00 0.00 O ATOM 0 H TYR B 198 -10.404 -0.933 8.519 1.00 0.00 H new ATOM 0 HA TYR B 198 -9.299 -2.433 10.732 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -11.812 -3.266 9.349 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -11.465 -3.146 11.062 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -11.501 -0.865 12.172 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -12.846 -1.445 8.170 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -12.698 1.279 12.262 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -14.039 0.699 8.258 1.00 0.00 H new ATOM 0 HH TYR B 198 -14.558 2.477 9.458 1.00 0.00 H new TER 1377 TYR B 198