USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 56 CYS SG : rot 180:sc= 0.549 USER MOD Set 1.2: A 59 CYS SG : rot 98:sc= 0.691 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.66 K(o=2.6,f=-4.5!) USER MOD Set 2.2: A 25 HIS : no HD1:sc= 0.988 K(o=2.6,f=-5!) USER MOD Set 3.1: A 13 CYS SG : rot -32:sc= -0.454 USER MOD Set 3.2: A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00741) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -173:sc= 0 (180deg=-0.0811) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= 0.945 (180deg=-0.331) USER MOD Single : A 10 CYS SG : rot 21:sc= -3.25! USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0704 (180deg=-0.389) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -21:sc= 0.438 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.474 K(o=-0.47,f=-8.2!) USER MOD Single : A 39 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.37) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0252 (180deg=-0.228) USER MOD Single : A 53 MET CE :methyl -167:sc= -0.244 (180deg=-0.575) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 1.14 (180deg=0.746) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= 0.647 (180deg=-0.0204) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -18.374 -17.665 -8.975 1.00 0.00 N ATOM 2 CA GLN A 1 -19.415 -16.780 -8.398 1.00 0.00 C ATOM 3 C GLN A 1 -18.772 -15.592 -7.698 1.00 0.00 C ATOM 4 O GLN A 1 -17.764 -15.742 -7.009 1.00 0.00 O ATOM 5 CB GLN A 1 -20.289 -17.547 -7.404 1.00 0.00 C ATOM 6 CG GLN A 1 -21.016 -18.735 -8.012 1.00 0.00 C ATOM 7 CD GLN A 1 -21.967 -19.393 -7.038 1.00 0.00 C ATOM 8 OE1 GLN A 1 -23.146 -19.041 -6.965 1.00 0.00 O ATOM 9 NE2 GLN A 1 -21.459 -20.345 -6.276 1.00 0.00 N ATOM 0 H1 GLN A 1 -18.827 -18.405 -9.549 1.00 0.00 H new ATOM 0 H2 GLN A 1 -17.735 -17.104 -9.574 1.00 0.00 H new ATOM 0 H3 GLN A 1 -17.830 -18.107 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 1 -20.042 -16.421 -9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -19.665 -17.897 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -21.023 -16.863 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -21.571 -18.406 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -20.285 -19.468 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -20.477 -20.604 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -22.049 -20.821 -5.593 1.00 0.00 H new ATOM 20 N GLY A 2 -19.348 -14.413 -7.887 1.00 0.00 N ATOM 21 CA GLY A 2 -18.834 -13.223 -7.238 1.00 0.00 C ATOM 22 C GLY A 2 -19.373 -11.961 -7.866 1.00 0.00 C ATOM 23 O GLY A 2 -18.611 -11.083 -8.270 1.00 0.00 O ATOM 0 H GLY A 2 -20.164 -14.259 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -19.098 -13.244 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.745 -13.220 -7.295 1.00 0.00 H new ATOM 27 N HIS A 3 -20.691 -11.870 -7.955 1.00 0.00 N ATOM 28 CA HIS A 3 -21.327 -10.711 -8.557 1.00 0.00 C ATOM 29 C HIS A 3 -21.397 -9.563 -7.557 1.00 0.00 C ATOM 30 O HIS A 3 -22.359 -9.435 -6.802 1.00 0.00 O ATOM 31 CB HIS A 3 -22.728 -11.057 -9.076 1.00 0.00 C ATOM 32 CG HIS A 3 -23.382 -9.946 -9.849 1.00 0.00 C ATOM 33 ND1 HIS A 3 -24.589 -9.392 -9.490 1.00 0.00 N ATOM 34 CD2 HIS A 3 -22.998 -9.305 -10.979 1.00 0.00 C ATOM 35 CE1 HIS A 3 -24.922 -8.460 -10.365 1.00 0.00 C ATOM 36 NE2 HIS A 3 -23.975 -8.390 -11.279 1.00 0.00 N ATOM 0 H HIS A 3 -21.338 -12.583 -7.619 1.00 0.00 H new ATOM 0 HA HIS A 3 -20.721 -10.397 -9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.661 -11.939 -9.713 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -23.363 -11.321 -8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.092 -9.481 -11.539 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -25.818 -7.858 -10.336 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.969 -7.758 -12.080 1.00 0.00 H new ATOM 45 N MET A 4 -20.339 -8.773 -7.522 1.00 0.00 N ATOM 46 CA MET A 4 -20.295 -7.558 -6.722 1.00 0.00 C ATOM 47 C MET A 4 -19.413 -6.552 -7.444 1.00 0.00 C ATOM 48 O MET A 4 -18.223 -6.413 -7.147 1.00 0.00 O ATOM 49 CB MET A 4 -19.753 -7.842 -5.311 1.00 0.00 C ATOM 50 CG MET A 4 -20.067 -6.759 -4.282 1.00 0.00 C ATOM 51 SD MET A 4 -19.230 -5.190 -4.601 1.00 0.00 S ATOM 52 CE MET A 4 -19.778 -4.233 -3.190 1.00 0.00 C ATOM 0 H MET A 4 -19.484 -8.954 -8.048 1.00 0.00 H new ATOM 0 HA MET A 4 -21.302 -7.159 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.165 -8.788 -4.961 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.672 -7.967 -5.369 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.144 -6.589 -4.263 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.784 -7.117 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.347 -3.233 -3.239 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.865 -4.160 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.456 -4.723 -2.271 1.00 0.00 H new ATOM 62 N ILE A 5 -19.983 -5.904 -8.448 1.00 0.00 N ATOM 63 CA ILE A 5 -19.236 -4.966 -9.265 1.00 0.00 C ATOM 64 C ILE A 5 -19.936 -3.617 -9.300 1.00 0.00 C ATOM 65 O ILE A 5 -20.801 -3.363 -10.140 1.00 0.00 O ATOM 66 CB ILE A 5 -19.016 -5.465 -10.721 1.00 0.00 C ATOM 67 CG1 ILE A 5 -18.273 -6.809 -10.753 1.00 0.00 C ATOM 68 CG2 ILE A 5 -18.237 -4.430 -11.526 1.00 0.00 C ATOM 69 CD1 ILE A 5 -19.155 -8.018 -10.516 1.00 0.00 C ATOM 0 H ILE A 5 -20.961 -6.012 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 5 -18.255 -4.872 -8.799 1.00 0.00 H new ATOM 0 HB ILE A 5 -20.000 -5.609 -11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -17.783 -6.916 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -17.487 -6.794 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -18.091 -4.794 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -18.795 -3.494 -11.552 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -17.267 -4.261 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -18.549 -8.923 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -19.625 -7.939 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -19.925 -8.063 -11.286 1.00 0.00 H new ATOM 81 N MET A 6 -19.593 -2.771 -8.348 1.00 0.00 N ATOM 82 CA MET A 6 -20.014 -1.384 -8.386 1.00 0.00 C ATOM 83 C MET A 6 -18.978 -0.611 -9.189 1.00 0.00 C ATOM 84 O MET A 6 -19.280 -0.051 -10.244 1.00 0.00 O ATOM 85 CB MET A 6 -20.157 -0.823 -6.961 1.00 0.00 C ATOM 86 CG MET A 6 -20.784 0.567 -6.888 1.00 0.00 C ATOM 87 SD MET A 6 -19.652 1.879 -7.391 1.00 0.00 S ATOM 88 CE MET A 6 -20.699 3.319 -7.193 1.00 0.00 C ATOM 0 H MET A 6 -19.024 -3.020 -7.539 1.00 0.00 H new ATOM 0 HA MET A 6 -20.992 -1.291 -8.859 1.00 0.00 H new ATOM 0 HB2 MET A 6 -20.762 -1.512 -6.372 1.00 0.00 H new ATOM 0 HB3 MET A 6 -19.171 -0.788 -6.497 1.00 0.00 H new ATOM 0 HG2 MET A 6 -21.669 0.594 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 6 -21.119 0.755 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 6 -20.141 4.215 -7.466 1.00 0.00 H new ATOM 0 HE2 MET A 6 -21.573 3.225 -7.838 1.00 0.00 H new ATOM 0 HE3 MET A 6 -21.021 3.395 -6.154 1.00 0.00 H new ATOM 98 N ALA A 7 -17.744 -0.639 -8.696 1.00 0.00 N ATOM 99 CA ALA A 7 -16.609 -0.053 -9.398 1.00 0.00 C ATOM 100 C ALA A 7 -15.301 -0.589 -8.828 1.00 0.00 C ATOM 101 O ALA A 7 -14.378 -0.922 -9.573 1.00 0.00 O ATOM 102 CB ALA A 7 -16.636 1.465 -9.302 1.00 0.00 C ATOM 0 H ALA A 7 -17.504 -1.067 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.680 -0.332 -10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.779 1.878 -9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.556 1.842 -9.749 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.592 1.764 -8.255 1.00 0.00 H new ATOM 108 N LYS A 8 -15.258 -0.693 -7.497 1.00 0.00 N ATOM 109 CA LYS A 8 -14.053 -1.070 -6.761 1.00 0.00 C ATOM 110 C LYS A 8 -12.996 0.012 -6.909 1.00 0.00 C ATOM 111 O LYS A 8 -12.186 -0.010 -7.834 1.00 0.00 O ATOM 112 CB LYS A 8 -13.487 -2.422 -7.206 1.00 0.00 C ATOM 113 CG LYS A 8 -14.322 -3.624 -6.787 1.00 0.00 C ATOM 114 CD LYS A 8 -13.538 -4.916 -6.970 1.00 0.00 C ATOM 115 CE LYS A 8 -14.338 -6.140 -6.548 1.00 0.00 C ATOM 116 NZ LYS A 8 -15.484 -6.408 -7.457 1.00 0.00 N ATOM 0 H LYS A 8 -16.065 -0.516 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.336 -1.173 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.392 -2.422 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.482 -2.533 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.621 -3.519 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.237 -3.661 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.247 -5.017 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.619 -4.866 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.682 -7.010 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.708 -5.997 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.376 -6.270 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.446 -5.754 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.432 -7.388 -7.802 1.00 0.00 H new ATOM 130 N ARG A 9 -13.023 0.968 -5.997 1.00 0.00 N ATOM 131 CA ARG A 9 -12.145 2.119 -6.074 1.00 0.00 C ATOM 132 C ARG A 9 -11.402 2.318 -4.764 1.00 0.00 C ATOM 133 O ARG A 9 -11.803 1.787 -3.727 1.00 0.00 O ATOM 134 CB ARG A 9 -12.956 3.374 -6.404 1.00 0.00 C ATOM 135 CG ARG A 9 -14.095 3.636 -5.429 1.00 0.00 C ATOM 136 CD ARG A 9 -14.856 4.896 -5.791 1.00 0.00 C ATOM 137 NE ARG A 9 -16.003 5.124 -4.911 1.00 0.00 N ATOM 138 CZ ARG A 9 -16.508 6.327 -4.645 1.00 0.00 C ATOM 139 NH1 ARG A 9 -15.957 7.416 -5.169 1.00 0.00 N ATOM 140 NH2 ARG A 9 -17.566 6.447 -3.858 1.00 0.00 N ATOM 0 H ARG A 9 -13.648 0.968 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.415 1.942 -6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.289 4.236 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.364 3.279 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.777 2.786 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.697 3.728 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.184 5.752 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.201 4.826 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.442 4.313 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.143 7.333 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.348 8.335 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.997 5.616 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.950 7.370 -3.657 1.00 0.00 H new ATOM 154 N CYS A 10 -10.312 3.073 -4.821 1.00 0.00 N ATOM 155 CA CYS A 10 -9.564 3.430 -3.628 1.00 0.00 C ATOM 156 C CYS A 10 -10.442 4.253 -2.704 1.00 0.00 C ATOM 157 O CYS A 10 -11.126 5.177 -3.143 1.00 0.00 O ATOM 158 CB CYS A 10 -8.309 4.226 -3.998 1.00 0.00 C ATOM 159 SG CYS A 10 -7.311 4.736 -2.577 1.00 0.00 S ATOM 0 H CYS A 10 -9.927 3.450 -5.687 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.257 2.516 -3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.692 3.622 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.606 5.113 -4.557 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.596 3.986 -1.555 1.00 0.00 H new ATOM 165 N GLU A 11 -10.402 3.933 -1.426 1.00 0.00 N ATOM 166 CA GLU A 11 -11.251 4.593 -0.445 1.00 0.00 C ATOM 167 C GLU A 11 -10.645 5.924 -0.011 1.00 0.00 C ATOM 168 O GLU A 11 -11.179 6.616 0.856 1.00 0.00 O ATOM 169 CB GLU A 11 -11.460 3.678 0.764 1.00 0.00 C ATOM 170 CG GLU A 11 -12.094 2.345 0.401 1.00 0.00 C ATOM 171 CD GLU A 11 -12.293 1.434 1.594 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.289 0.933 2.146 1.00 0.00 O ATOM 173 OE2 GLU A 11 -13.459 1.193 1.970 1.00 0.00 O ATOM 0 H GLU A 11 -9.788 3.217 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.218 4.798 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.499 3.497 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.091 4.187 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.058 2.526 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.467 1.840 -0.333 1.00 0.00 H new ATOM 180 N VAL A 12 -9.530 6.285 -0.628 1.00 0.00 N ATOM 181 CA VAL A 12 -8.849 7.527 -0.305 1.00 0.00 C ATOM 182 C VAL A 12 -8.985 8.539 -1.440 1.00 0.00 C ATOM 183 O VAL A 12 -9.523 9.627 -1.253 1.00 0.00 O ATOM 184 CB VAL A 12 -7.352 7.279 -0.025 1.00 0.00 C ATOM 185 CG1 VAL A 12 -6.642 8.573 0.355 1.00 0.00 C ATOM 186 CG2 VAL A 12 -7.180 6.234 1.071 1.00 0.00 C ATOM 0 H VAL A 12 -9.078 5.733 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.320 7.930 0.591 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.897 6.902 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.589 8.367 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.729 9.289 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.100 8.989 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.118 6.072 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.658 6.584 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.641 5.298 0.757 1.00 0.00 H new ATOM 196 N CYS A 13 -8.488 8.169 -2.618 1.00 0.00 N ATOM 197 CA CYS A 13 -8.473 9.079 -3.759 1.00 0.00 C ATOM 198 C CYS A 13 -9.673 8.836 -4.680 1.00 0.00 C ATOM 199 O CYS A 13 -10.012 9.679 -5.510 1.00 0.00 O ATOM 200 CB CYS A 13 -7.162 8.914 -4.541 1.00 0.00 C ATOM 201 SG CYS A 13 -6.898 10.168 -5.817 1.00 0.00 S ATOM 0 H CYS A 13 -8.092 7.248 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.542 10.099 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.328 8.943 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.152 7.929 -5.008 1.00 0.00 H new ATOM 0 HG CYS A 13 -8.045 10.538 -6.305 1.00 0.00 H new ATOM 207 N GLY A 14 -10.305 7.678 -4.536 1.00 0.00 N ATOM 208 CA GLY A 14 -11.465 7.360 -5.352 1.00 0.00 C ATOM 209 C GLY A 14 -11.095 6.715 -6.678 1.00 0.00 C ATOM 210 O GLY A 14 -11.972 6.285 -7.428 1.00 0.00 O ATOM 0 H GLY A 14 -10.037 6.953 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.120 6.689 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.030 8.272 -5.542 1.00 0.00 H new ATOM 214 N LYS A 15 -9.799 6.644 -6.967 1.00 0.00 N ATOM 215 CA LYS A 15 -9.321 6.049 -8.213 1.00 0.00 C ATOM 216 C LYS A 15 -9.417 4.532 -8.161 1.00 0.00 C ATOM 217 O LYS A 15 -9.194 3.926 -7.114 1.00 0.00 O ATOM 218 CB LYS A 15 -7.878 6.475 -8.498 1.00 0.00 C ATOM 219 CG LYS A 15 -7.729 7.957 -8.790 1.00 0.00 C ATOM 220 CD LYS A 15 -6.300 8.311 -9.169 1.00 0.00 C ATOM 221 CE LYS A 15 -6.180 9.761 -9.612 1.00 0.00 C ATOM 222 NZ LYS A 15 -6.982 10.036 -10.835 1.00 0.00 N ATOM 0 H LYS A 15 -9.060 6.991 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.958 6.409 -9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.256 6.218 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.501 5.906 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.401 8.238 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.027 8.533 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.643 8.135 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.963 7.656 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.511 10.415 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.133 9.997 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.649 10.916 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.873 9.249 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.985 10.135 -10.578 1.00 0.00 H new ATOM 236 N ALA A 16 -9.751 3.926 -9.290 1.00 0.00 N ATOM 237 CA ALA A 16 -9.896 2.477 -9.370 1.00 0.00 C ATOM 238 C ALA A 16 -8.553 1.811 -9.668 1.00 0.00 C ATOM 239 O ALA A 16 -7.737 2.360 -10.405 1.00 0.00 O ATOM 240 CB ALA A 16 -10.911 2.108 -10.437 1.00 0.00 C ATOM 0 H ALA A 16 -9.928 4.415 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.251 2.116 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.009 1.024 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.876 2.549 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.577 2.486 -11.403 1.00 0.00 H new ATOM 246 N PRO A 17 -8.311 0.619 -9.094 1.00 0.00 N ATOM 247 CA PRO A 17 -7.079 -0.141 -9.315 1.00 0.00 C ATOM 248 C PRO A 17 -7.141 -1.032 -10.556 1.00 0.00 C ATOM 249 O PRO A 17 -6.182 -1.741 -10.863 1.00 0.00 O ATOM 250 CB PRO A 17 -6.999 -0.998 -8.055 1.00 0.00 C ATOM 251 CG PRO A 17 -8.419 -1.274 -7.706 1.00 0.00 C ATOM 252 CD PRO A 17 -9.212 -0.072 -8.154 1.00 0.00 C ATOM 0 HA PRO A 17 -6.219 0.507 -9.486 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.448 -1.921 -8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.486 -0.473 -7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.772 -2.178 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.531 -1.435 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.144 -0.366 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.477 0.568 -7.312 1.00 0.00 H new ATOM 260 N ARG A 18 -8.284 -0.998 -11.247 1.00 0.00 N ATOM 261 CA ARG A 18 -8.514 -1.823 -12.438 1.00 0.00 C ATOM 262 C ARG A 18 -8.401 -3.307 -12.088 1.00 0.00 C ATOM 263 O ARG A 18 -8.470 -3.682 -10.918 1.00 0.00 O ATOM 264 CB ARG A 18 -7.524 -1.463 -13.557 1.00 0.00 C ATOM 265 CG ARG A 18 -7.573 0.001 -13.959 1.00 0.00 C ATOM 266 CD ARG A 18 -6.647 0.293 -15.126 1.00 0.00 C ATOM 267 NE ARG A 18 -7.072 -0.399 -16.340 1.00 0.00 N ATOM 268 CZ ARG A 18 -6.265 -0.689 -17.356 1.00 0.00 C ATOM 269 NH1 ARG A 18 -4.981 -0.356 -17.313 1.00 0.00 N ATOM 270 NH2 ARG A 18 -6.743 -1.314 -18.420 1.00 0.00 N ATOM 0 H ARG A 18 -9.073 -0.401 -10.999 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.523 -1.622 -12.799 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.513 -1.709 -13.231 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.735 -2.079 -14.431 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.594 0.271 -14.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.293 0.622 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.621 1.367 -15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.632 -0.011 -14.870 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.050 -0.678 -16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.606 0.126 -16.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.369 -0.582 -18.097 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.729 -1.572 -18.460 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.125 -1.537 -19.201 1.00 0.00 H new ATOM 284 N SER A 19 -8.271 -4.153 -13.095 1.00 0.00 N ATOM 285 CA SER A 19 -8.104 -5.581 -12.866 1.00 0.00 C ATOM 286 C SER A 19 -6.745 -6.048 -13.386 1.00 0.00 C ATOM 287 O SER A 19 -6.490 -6.027 -14.590 1.00 0.00 O ATOM 288 CB SER A 19 -9.230 -6.357 -13.550 1.00 0.00 C ATOM 289 OG SER A 19 -10.501 -5.826 -13.199 1.00 0.00 O ATOM 0 H SER A 19 -8.278 -3.879 -14.077 1.00 0.00 H new ATOM 0 HA SER A 19 -8.147 -5.771 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.101 -6.315 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.179 -7.407 -13.263 1.00 0.00 H new ATOM 0 HG SER A 19 -11.205 -6.337 -13.650 1.00 0.00 H new ATOM 295 N GLY A 20 -5.875 -6.459 -12.476 1.00 0.00 N ATOM 296 CA GLY A 20 -4.559 -6.921 -12.860 1.00 0.00 C ATOM 297 C GLY A 20 -3.949 -7.818 -11.805 1.00 0.00 C ATOM 298 O GLY A 20 -4.601 -8.139 -10.812 1.00 0.00 O ATOM 0 H GLY A 20 -6.059 -6.480 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.625 -7.462 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.908 -6.064 -13.029 1.00 0.00 H new ATOM 302 N ASN A 21 -2.704 -8.218 -12.011 1.00 0.00 N ATOM 303 CA ASN A 21 -2.009 -9.078 -11.062 1.00 0.00 C ATOM 304 C ASN A 21 -0.515 -8.780 -11.107 1.00 0.00 C ATOM 305 O ASN A 21 -0.020 -8.246 -12.100 1.00 0.00 O ATOM 306 CB ASN A 21 -2.279 -10.553 -11.388 1.00 0.00 C ATOM 307 CG ASN A 21 -1.769 -11.502 -10.317 1.00 0.00 C ATOM 308 OD1 ASN A 21 -0.633 -11.970 -10.374 1.00 0.00 O ATOM 309 ND2 ASN A 21 -2.603 -11.788 -9.331 1.00 0.00 N ATOM 0 H ASN A 21 -2.152 -7.961 -12.829 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.378 -8.880 -10.056 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.351 -10.701 -11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.808 -10.801 -12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.311 -12.417 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.538 -11.380 -9.319 1.00 0.00 H new ATOM 316 N THR A 22 0.199 -9.108 -10.035 1.00 0.00 N ATOM 317 CA THR A 22 1.628 -8.822 -9.956 1.00 0.00 C ATOM 318 C THR A 22 2.447 -9.816 -10.791 1.00 0.00 C ATOM 319 O THR A 22 3.646 -9.627 -10.975 1.00 0.00 O ATOM 320 CB THR A 22 2.127 -8.827 -8.491 1.00 0.00 C ATOM 321 OG1 THR A 22 3.499 -8.417 -8.429 1.00 0.00 O ATOM 322 CG2 THR A 22 1.976 -10.207 -7.862 1.00 0.00 C ATOM 0 H THR A 22 -0.186 -9.570 -9.212 1.00 0.00 H new ATOM 0 HA THR A 22 1.773 -7.823 -10.367 1.00 0.00 H new ATOM 0 HB THR A 22 1.514 -8.122 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.920 -8.548 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.335 -10.179 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.926 -10.499 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.559 -10.932 -8.430 1.00 0.00 H new ATOM 330 N VAL A 23 1.770 -10.882 -11.246 1.00 0.00 N ATOM 331 CA VAL A 23 2.303 -11.905 -12.169 1.00 0.00 C ATOM 332 C VAL A 23 3.435 -12.755 -11.570 1.00 0.00 C ATOM 333 O VAL A 23 3.458 -13.970 -11.772 1.00 0.00 O ATOM 334 CB VAL A 23 2.723 -11.321 -13.554 1.00 0.00 C ATOM 335 CG1 VAL A 23 4.156 -10.806 -13.575 1.00 0.00 C ATOM 336 CG2 VAL A 23 2.518 -12.362 -14.640 1.00 0.00 C ATOM 0 H VAL A 23 0.804 -11.065 -10.974 1.00 0.00 H new ATOM 0 HA VAL A 23 1.460 -12.576 -12.335 1.00 0.00 H new ATOM 0 HB VAL A 23 2.082 -10.460 -13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.387 -10.413 -14.565 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.269 -10.014 -12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.839 -11.622 -13.340 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.814 -11.946 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.126 -13.240 -14.422 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.467 -12.648 -14.676 1.00 0.00 H new ATOM 346 N SER A 24 4.344 -12.139 -10.824 1.00 0.00 N ATOM 347 CA SER A 24 5.477 -12.849 -10.244 1.00 0.00 C ATOM 348 C SER A 24 5.060 -13.611 -8.988 1.00 0.00 C ATOM 349 O SER A 24 4.914 -13.027 -7.910 1.00 0.00 O ATOM 350 CB SER A 24 6.610 -11.866 -9.926 1.00 0.00 C ATOM 351 OG SER A 24 7.794 -12.539 -9.535 1.00 0.00 O ATOM 0 H SER A 24 4.318 -11.143 -10.606 1.00 0.00 H new ATOM 0 HA SER A 24 5.836 -13.575 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.814 -11.250 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.294 -11.192 -9.129 1.00 0.00 H new ATOM 0 HG SER A 24 8.495 -11.882 -9.342 1.00 0.00 H new ATOM 357 N HIS A 25 4.847 -14.914 -9.148 1.00 0.00 N ATOM 358 CA HIS A 25 4.469 -15.797 -8.047 1.00 0.00 C ATOM 359 C HIS A 25 4.328 -17.226 -8.541 1.00 0.00 C ATOM 360 O HIS A 25 3.663 -17.480 -9.544 1.00 0.00 O ATOM 361 CB HIS A 25 3.163 -15.346 -7.366 1.00 0.00 C ATOM 362 CG HIS A 25 1.999 -15.144 -8.297 1.00 0.00 C ATOM 363 ND1 HIS A 25 1.116 -16.145 -8.646 1.00 0.00 N ATOM 364 CD2 HIS A 25 1.569 -14.031 -8.935 1.00 0.00 C ATOM 365 CE1 HIS A 25 0.195 -15.652 -9.456 1.00 0.00 C ATOM 366 NE2 HIS A 25 0.446 -14.373 -9.646 1.00 0.00 N ATOM 0 H HIS A 25 4.932 -15.389 -10.047 1.00 0.00 H new ATOM 0 HA HIS A 25 5.265 -15.746 -7.304 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.886 -16.088 -6.617 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.351 -14.413 -6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.026 -13.053 -8.893 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.625 -16.205 -9.889 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.104 -13.740 -10.227 1.00 0.00 H new ATOM 375 N SER A 26 4.955 -18.155 -7.837 1.00 0.00 N ATOM 376 CA SER A 26 4.889 -19.559 -8.206 1.00 0.00 C ATOM 377 C SER A 26 3.704 -20.238 -7.518 1.00 0.00 C ATOM 378 O SER A 26 2.745 -20.653 -8.171 1.00 0.00 O ATOM 379 CB SER A 26 6.196 -20.263 -7.832 1.00 0.00 C ATOM 380 OG SER A 26 7.312 -19.597 -8.401 1.00 0.00 O ATOM 0 H SER A 26 5.515 -17.962 -7.007 1.00 0.00 H new ATOM 0 HA SER A 26 4.748 -19.630 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.300 -20.293 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.169 -21.296 -8.178 1.00 0.00 H new ATOM 0 HG SER A 26 8.136 -20.063 -8.147 1.00 0.00 H new ATOM 386 N ASP A 27 3.759 -20.320 -6.194 1.00 0.00 N ATOM 387 CA ASP A 27 2.704 -20.967 -5.420 1.00 0.00 C ATOM 388 C ASP A 27 2.665 -20.399 -4.006 1.00 0.00 C ATOM 389 O ASP A 27 3.530 -20.705 -3.186 1.00 0.00 O ATOM 390 CB ASP A 27 2.936 -22.481 -5.368 1.00 0.00 C ATOM 391 CG ASP A 27 1.831 -23.223 -4.641 1.00 0.00 C ATOM 392 OD1 ASP A 27 1.930 -23.398 -3.411 1.00 0.00 O ATOM 393 OD2 ASP A 27 0.868 -23.664 -5.305 1.00 0.00 O ATOM 0 H ASP A 27 4.524 -19.946 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 27 1.748 -20.773 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.018 -22.866 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.887 -22.681 -4.874 1.00 0.00 H new ATOM 398 N LYS A 28 1.683 -19.548 -3.735 1.00 0.00 N ATOM 399 CA LYS A 28 1.533 -18.945 -2.412 1.00 0.00 C ATOM 400 C LYS A 28 0.066 -18.775 -2.037 1.00 0.00 C ATOM 401 O LYS A 28 -0.340 -19.158 -0.938 1.00 0.00 O ATOM 402 CB LYS A 28 2.219 -17.576 -2.342 1.00 0.00 C ATOM 403 CG LYS A 28 3.729 -17.637 -2.184 1.00 0.00 C ATOM 404 CD LYS A 28 4.307 -16.262 -1.878 1.00 0.00 C ATOM 405 CE LYS A 28 5.788 -16.338 -1.553 1.00 0.00 C ATOM 406 NZ LYS A 28 6.332 -15.021 -1.131 1.00 0.00 N ATOM 0 H LYS A 28 0.977 -19.258 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 28 2.008 -19.626 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.983 -17.018 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.801 -17.016 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.986 -18.329 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.177 -18.028 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.155 -15.604 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.772 -15.820 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.948 -17.068 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.334 -16.693 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.346 -15.116 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.202 -14.330 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.829 -14.694 -0.281 1.00 0.00 H new ATOM 420 N LYS A 29 -0.714 -18.193 -2.956 1.00 0.00 N ATOM 421 CA LYS A 29 -2.099 -17.771 -2.691 1.00 0.00 C ATOM 422 C LYS A 29 -2.119 -16.573 -1.740 1.00 0.00 C ATOM 423 O LYS A 29 -2.712 -15.538 -2.046 1.00 0.00 O ATOM 424 CB LYS A 29 -2.944 -18.920 -2.119 1.00 0.00 C ATOM 425 CG LYS A 29 -4.386 -18.535 -1.818 1.00 0.00 C ATOM 426 CD LYS A 29 -5.158 -19.701 -1.219 1.00 0.00 C ATOM 427 CE LYS A 29 -5.302 -20.846 -2.210 1.00 0.00 C ATOM 428 NZ LYS A 29 -5.897 -22.053 -1.582 1.00 0.00 N ATOM 0 H LYS A 29 -0.403 -18.000 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.541 -17.477 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.940 -19.749 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.476 -19.281 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.403 -17.692 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.875 -18.205 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.646 -20.056 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.146 -19.362 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.926 -20.527 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.324 -21.096 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.978 -22.809 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.289 -22.374 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.842 -21.822 -1.213 1.00 0.00 H new ATOM 442 N SER A 30 -1.457 -16.733 -0.598 1.00 0.00 N ATOM 443 CA SER A 30 -1.286 -15.676 0.389 1.00 0.00 C ATOM 444 C SER A 30 -2.602 -15.306 1.062 1.00 0.00 C ATOM 445 O SER A 30 -3.270 -14.347 0.672 1.00 0.00 O ATOM 446 CB SER A 30 -0.634 -14.438 -0.237 1.00 0.00 C ATOM 447 OG SER A 30 0.613 -14.769 -0.826 1.00 0.00 O ATOM 0 H SER A 30 -1.019 -17.614 -0.330 1.00 0.00 H new ATOM 0 HA SER A 30 -0.621 -16.065 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.297 -14.015 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.489 -13.673 0.526 1.00 0.00 H new ATOM 0 HG SER A 30 1.012 -13.966 -1.221 1.00 0.00 H new ATOM 453 N GLU A 31 -2.983 -16.090 2.063 1.00 0.00 N ATOM 454 CA GLU A 31 -4.108 -15.739 2.912 1.00 0.00 C ATOM 455 C GLU A 31 -3.675 -14.623 3.858 1.00 0.00 C ATOM 456 O GLU A 31 -3.284 -14.857 5.004 1.00 0.00 O ATOM 457 CB GLU A 31 -4.615 -16.967 3.681 1.00 0.00 C ATOM 458 CG GLU A 31 -5.806 -16.689 4.592 1.00 0.00 C ATOM 459 CD GLU A 31 -6.982 -16.063 3.863 1.00 0.00 C ATOM 460 OE1 GLU A 31 -7.758 -16.804 3.219 1.00 0.00 O ATOM 461 OE2 GLU A 31 -7.158 -14.831 3.956 1.00 0.00 O ATOM 0 H GLU A 31 -2.529 -16.971 2.304 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.938 -15.385 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.893 -17.740 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.799 -17.368 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.128 -17.622 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.492 -16.026 5.398 1.00 0.00 H new ATOM 468 N ARG A 32 -3.679 -13.415 3.319 1.00 0.00 N ATOM 469 CA ARG A 32 -3.246 -12.223 4.031 1.00 0.00 C ATOM 470 C ARG A 32 -4.173 -11.083 3.639 1.00 0.00 C ATOM 471 O ARG A 32 -3.739 -10.085 3.059 1.00 0.00 O ATOM 472 CB ARG A 32 -1.804 -11.885 3.638 1.00 0.00 C ATOM 473 CG ARG A 32 -1.072 -10.989 4.626 1.00 0.00 C ATOM 474 CD ARG A 32 0.210 -10.429 4.018 1.00 0.00 C ATOM 475 NE ARG A 32 0.998 -11.457 3.332 1.00 0.00 N ATOM 476 CZ ARG A 32 1.770 -11.217 2.266 1.00 0.00 C ATOM 477 NH1 ARG A 32 1.913 -9.977 1.806 1.00 0.00 N ATOM 478 NH2 ARG A 32 2.407 -12.212 1.663 1.00 0.00 N ATOM 0 H ARG A 32 -3.986 -13.232 2.364 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.282 -12.385 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.245 -12.814 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.812 -11.398 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.723 -10.169 4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.834 -11.555 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.041 -9.637 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.814 -9.976 4.804 1.00 0.00 H new ATOM 0 HE ARG A 32 0.955 -12.412 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.433 -9.204 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.503 -9.800 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.309 -13.166 2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.994 -12.024 0.851 1.00 0.00 H new ATOM 492 N TRP A 33 -5.454 -11.257 3.956 1.00 0.00 N ATOM 493 CA TRP A 33 -6.517 -10.413 3.425 1.00 0.00 C ATOM 494 C TRP A 33 -6.533 -10.524 1.906 1.00 0.00 C ATOM 495 O TRP A 33 -5.984 -9.676 1.199 1.00 0.00 O ATOM 496 CB TRP A 33 -6.379 -8.951 3.869 1.00 0.00 C ATOM 497 CG TRP A 33 -6.707 -8.744 5.317 1.00 0.00 C ATOM 498 CD1 TRP A 33 -7.912 -8.379 5.840 1.00 0.00 C ATOM 499 CD2 TRP A 33 -5.818 -8.901 6.425 1.00 0.00 C ATOM 500 NE1 TRP A 33 -7.824 -8.296 7.208 1.00 0.00 N ATOM 501 CE2 TRP A 33 -6.547 -8.611 7.592 1.00 0.00 C ATOM 502 CE3 TRP A 33 -4.473 -9.257 6.539 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -5.973 -8.666 8.859 1.00 0.00 C ATOM 504 CZ3 TRP A 33 -3.904 -9.315 7.796 1.00 0.00 C ATOM 505 CH2 TRP A 33 -4.653 -9.019 8.943 1.00 0.00 C ATOM 0 H TRP A 33 -5.782 -11.987 4.588 1.00 0.00 H new ATOM 0 HA TRP A 33 -7.466 -10.766 3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -5.359 -8.615 3.682 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.036 -8.329 3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -8.804 -8.184 5.264 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -8.586 -8.041 7.836 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -3.888 -9.483 5.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -6.548 -8.438 9.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.865 -9.593 7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.179 -9.070 9.912 1.00 0.00 H new ATOM 516 N PHE A 34 -7.133 -11.606 1.417 1.00 0.00 N ATOM 517 CA PHE A 34 -7.107 -11.932 -0.003 1.00 0.00 C ATOM 518 C PHE A 34 -7.918 -10.927 -0.809 1.00 0.00 C ATOM 519 O PHE A 34 -9.117 -10.741 -0.580 1.00 0.00 O ATOM 520 CB PHE A 34 -7.630 -13.354 -0.236 1.00 0.00 C ATOM 521 CG PHE A 34 -7.454 -13.841 -1.650 1.00 0.00 C ATOM 522 CD1 PHE A 34 -6.250 -14.390 -2.061 1.00 0.00 C ATOM 523 CD2 PHE A 34 -8.491 -13.748 -2.566 1.00 0.00 C ATOM 524 CE1 PHE A 34 -6.085 -14.844 -3.356 1.00 0.00 C ATOM 525 CE2 PHE A 34 -8.330 -14.199 -3.862 1.00 0.00 C ATOM 526 CZ PHE A 34 -7.126 -14.744 -4.260 1.00 0.00 C ATOM 0 H PHE A 34 -7.647 -12.276 1.990 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.073 -11.881 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.115 -14.036 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.689 -13.389 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.431 -14.464 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.434 -13.318 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.144 -15.276 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.147 -14.125 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.998 -15.091 -5.275 1.00 0.00 H new ATOM 536 N ARG A 35 -7.256 -10.289 -1.757 1.00 0.00 N ATOM 537 CA ARG A 35 -7.878 -9.264 -2.578 1.00 0.00 C ATOM 538 C ARG A 35 -7.594 -9.534 -4.049 1.00 0.00 C ATOM 539 O ARG A 35 -6.514 -10.005 -4.399 1.00 0.00 O ATOM 540 CB ARG A 35 -7.364 -7.864 -2.187 1.00 0.00 C ATOM 541 CG ARG A 35 -5.865 -7.653 -2.399 1.00 0.00 C ATOM 542 CD ARG A 35 -5.034 -8.382 -1.353 1.00 0.00 C ATOM 543 NE ARG A 35 -3.600 -8.247 -1.586 1.00 0.00 N ATOM 544 CZ ARG A 35 -2.675 -8.374 -0.636 1.00 0.00 C ATOM 545 NH1 ARG A 35 -3.030 -8.670 0.611 1.00 0.00 N ATOM 546 NH2 ARG A 35 -1.392 -8.200 -0.931 1.00 0.00 N ATOM 0 H ARG A 35 -6.276 -10.465 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.955 -9.293 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.908 -7.117 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.598 -7.686 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.586 -8.004 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.640 -6.587 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.277 -7.992 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.301 -9.439 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.287 -8.043 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.014 -8.801 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.318 -8.766 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.115 -7.969 -1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.684 -8.297 -0.204 1.00 0.00 H new ATOM 560 N PRO A 36 -8.564 -9.254 -4.927 1.00 0.00 N ATOM 561 CA PRO A 36 -8.400 -9.444 -6.364 1.00 0.00 C ATOM 562 C PRO A 36 -7.601 -8.318 -7.010 1.00 0.00 C ATOM 563 O PRO A 36 -6.803 -8.553 -7.918 1.00 0.00 O ATOM 564 CB PRO A 36 -9.840 -9.446 -6.905 1.00 0.00 C ATOM 565 CG PRO A 36 -10.738 -9.340 -5.711 1.00 0.00 C ATOM 566 CD PRO A 36 -9.907 -8.768 -4.601 1.00 0.00 C ATOM 0 HA PRO A 36 -7.848 -10.358 -6.585 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.000 -8.611 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.044 -10.359 -7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.593 -8.699 -5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.133 -10.318 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.951 -7.679 -4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.239 -9.118 -3.624 1.00 0.00 H new ATOM 574 N ASN A 37 -7.817 -7.096 -6.533 1.00 0.00 N ATOM 575 CA ASN A 37 -7.192 -5.921 -7.138 1.00 0.00 C ATOM 576 C ASN A 37 -6.990 -4.796 -6.122 1.00 0.00 C ATOM 577 O ASN A 37 -5.908 -4.212 -6.041 1.00 0.00 O ATOM 578 CB ASN A 37 -8.032 -5.427 -8.330 1.00 0.00 C ATOM 579 CG ASN A 37 -9.450 -5.010 -7.955 1.00 0.00 C ATOM 580 OD1 ASN A 37 -10.041 -5.524 -7.002 1.00 0.00 O ATOM 581 ND2 ASN A 37 -10.014 -4.081 -8.710 1.00 0.00 N ATOM 0 H ASN A 37 -8.417 -6.892 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.206 -6.217 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.525 -4.580 -8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.082 -6.217 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.965 -3.770 -8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.498 -3.676 -9.491 1.00 0.00 H new ATOM 588 N LEU A 38 -8.026 -4.494 -5.351 1.00 0.00 N ATOM 589 CA LEU A 38 -7.960 -3.429 -4.356 1.00 0.00 C ATOM 590 C LEU A 38 -7.076 -3.816 -3.177 1.00 0.00 C ATOM 591 O LEU A 38 -7.419 -4.704 -2.395 1.00 0.00 O ATOM 592 CB LEU A 38 -9.361 -3.090 -3.852 1.00 0.00 C ATOM 593 CG LEU A 38 -10.046 -1.920 -4.556 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.469 -1.754 -4.047 1.00 0.00 C ATOM 595 CD2 LEU A 38 -9.255 -0.640 -4.341 1.00 0.00 C ATOM 0 H LEU A 38 -8.926 -4.973 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.522 -2.556 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.990 -3.974 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.301 -2.866 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.083 -2.131 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.943 -0.916 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.034 -2.665 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.452 -1.561 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.754 0.186 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.192 -0.426 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.250 -0.761 -4.747 1.00 0.00 H new ATOM 607 N GLN A 39 -5.954 -3.127 -3.039 1.00 0.00 N ATOM 608 CA GLN A 39 -5.020 -3.396 -1.962 1.00 0.00 C ATOM 609 C GLN A 39 -5.426 -2.676 -0.689 1.00 0.00 C ATOM 610 O GLN A 39 -5.216 -1.473 -0.552 1.00 0.00 O ATOM 611 CB GLN A 39 -3.611 -2.969 -2.370 1.00 0.00 C ATOM 612 CG GLN A 39 -2.885 -4.001 -3.215 1.00 0.00 C ATOM 613 CD GLN A 39 -2.139 -5.024 -2.374 1.00 0.00 C ATOM 614 OE1 GLN A 39 -1.153 -5.610 -2.821 1.00 0.00 O ATOM 615 NE2 GLN A 39 -2.582 -5.228 -1.140 1.00 0.00 N ATOM 0 H GLN A 39 -5.669 -2.373 -3.665 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.033 -4.468 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.670 -2.033 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.026 -2.770 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.605 -4.515 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.180 -3.495 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.403 -4.724 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.102 -5.888 -0.528 1.00 0.00 H new ATOM 624 N LYS A 40 -6.038 -3.403 0.228 1.00 0.00 N ATOM 625 CA LYS A 40 -6.299 -2.859 1.548 1.00 0.00 C ATOM 626 C LYS A 40 -5.009 -2.853 2.338 1.00 0.00 C ATOM 627 O LYS A 40 -4.471 -3.907 2.678 1.00 0.00 O ATOM 628 CB LYS A 40 -7.384 -3.646 2.290 1.00 0.00 C ATOM 629 CG LYS A 40 -7.472 -3.300 3.773 1.00 0.00 C ATOM 630 CD LYS A 40 -8.813 -3.684 4.379 1.00 0.00 C ATOM 631 CE LYS A 40 -9.906 -2.718 3.950 1.00 0.00 C ATOM 632 NZ LYS A 40 -11.211 -3.022 4.591 1.00 0.00 N ATOM 0 H LYS A 40 -6.360 -4.360 0.086 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.672 -1.841 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.349 -3.452 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.186 -4.713 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.674 -3.811 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.310 -2.230 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.077 -4.696 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.735 -3.690 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.608 -1.700 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.018 -2.758 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.924 -2.337 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.510 -3.983 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.113 -2.959 5.624 1.00 0.00 H new ATOM 646 N VAL A 41 -4.498 -1.664 2.587 1.00 0.00 N ATOM 647 CA VAL A 41 -3.242 -1.512 3.291 1.00 0.00 C ATOM 648 C VAL A 41 -3.428 -0.679 4.545 1.00 0.00 C ATOM 649 O VAL A 41 -4.402 0.066 4.676 1.00 0.00 O ATOM 650 CB VAL A 41 -2.156 -0.865 2.402 1.00 0.00 C ATOM 651 CG1 VAL A 41 -1.798 -1.781 1.240 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.611 0.493 1.890 1.00 0.00 C ATOM 0 H VAL A 41 -4.936 -0.785 2.310 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.908 -2.513 3.563 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.265 -0.717 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.032 -1.307 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.420 -2.728 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.686 -1.965 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.829 0.928 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.520 0.374 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.810 1.152 2.735 1.00 0.00 H new ATOM 662 N ARG A 42 -2.499 -0.824 5.465 1.00 0.00 N ATOM 663 CA ARG A 42 -2.517 -0.072 6.702 1.00 0.00 C ATOM 664 C ARG A 42 -1.810 1.264 6.493 1.00 0.00 C ATOM 665 O ARG A 42 -0.622 1.305 6.168 1.00 0.00 O ATOM 666 CB ARG A 42 -1.832 -0.892 7.798 1.00 0.00 C ATOM 667 CG ARG A 42 -1.731 -0.202 9.147 1.00 0.00 C ATOM 668 CD ARG A 42 -1.013 -1.093 10.148 1.00 0.00 C ATOM 669 NE ARG A 42 -0.843 -0.455 11.452 1.00 0.00 N ATOM 670 CZ ARG A 42 0.088 -0.812 12.334 1.00 0.00 C ATOM 671 NH1 ARG A 42 0.937 -1.795 12.047 1.00 0.00 N ATOM 672 NH2 ARG A 42 0.168 -0.191 13.506 1.00 0.00 N ATOM 0 H ARG A 42 -1.711 -1.465 5.377 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.544 0.128 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.377 -1.828 7.925 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.828 -1.151 7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.195 0.741 9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.729 0.038 9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.574 -2.019 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.035 -1.364 9.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.474 0.307 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.875 -2.277 11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.650 -2.067 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.484 0.560 13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.882 -0.466 14.181 1.00 0.00 H new ATOM 686 N VAL A 43 -2.545 2.350 6.657 1.00 0.00 N ATOM 687 CA VAL A 43 -2.002 3.682 6.447 1.00 0.00 C ATOM 688 C VAL A 43 -2.177 4.537 7.690 1.00 0.00 C ATOM 689 O VAL A 43 -3.042 4.267 8.527 1.00 0.00 O ATOM 690 CB VAL A 43 -2.665 4.394 5.245 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.318 3.689 3.943 1.00 0.00 C ATOM 692 CG2 VAL A 43 -4.175 4.476 5.423 1.00 0.00 C ATOM 0 H VAL A 43 -3.526 2.335 6.937 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.941 3.558 6.232 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.274 5.410 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.795 4.207 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.237 3.695 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.673 2.659 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.616 4.981 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.587 3.470 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.405 5.036 6.330 1.00 0.00 H new ATOM 702 N VAL A 44 -1.353 5.561 7.811 1.00 0.00 N ATOM 703 CA VAL A 44 -1.460 6.483 8.926 1.00 0.00 C ATOM 704 C VAL A 44 -2.249 7.719 8.498 1.00 0.00 C ATOM 705 O VAL A 44 -2.110 8.197 7.371 1.00 0.00 O ATOM 706 CB VAL A 44 -0.070 6.892 9.475 1.00 0.00 C ATOM 707 CG1 VAL A 44 0.728 7.675 8.443 1.00 0.00 C ATOM 708 CG2 VAL A 44 -0.215 7.686 10.765 1.00 0.00 C ATOM 0 H VAL A 44 -0.604 5.775 7.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.988 5.975 9.733 1.00 0.00 H new ATOM 0 HB VAL A 44 0.483 5.979 9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.697 7.946 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.875 7.061 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.184 8.580 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.772 7.964 11.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.798 8.587 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.724 7.077 11.512 1.00 0.00 H new ATOM 718 N LEU A 45 -3.106 8.195 9.379 1.00 0.00 N ATOM 719 CA LEU A 45 -3.878 9.393 9.125 1.00 0.00 C ATOM 720 C LEU A 45 -3.074 10.618 9.537 1.00 0.00 C ATOM 721 O LEU A 45 -2.217 10.530 10.415 1.00 0.00 O ATOM 722 CB LEU A 45 -5.200 9.335 9.898 1.00 0.00 C ATOM 723 CG LEU A 45 -6.162 8.228 9.456 1.00 0.00 C ATOM 724 CD1 LEU A 45 -7.459 8.298 10.246 1.00 0.00 C ATOM 725 CD2 LEU A 45 -6.443 8.322 7.961 1.00 0.00 C ATOM 0 H LEU A 45 -3.286 7.764 10.286 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.101 9.461 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.978 9.201 10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.705 10.296 9.797 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.688 7.267 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.129 7.503 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.245 8.176 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.934 9.265 10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.128 7.526 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.892 9.289 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.509 8.218 7.408 1.00 0.00 H new ATOM 737 N PRO A 46 -3.339 11.779 8.914 1.00 0.00 N ATOM 738 CA PRO A 46 -2.621 13.028 9.211 1.00 0.00 C ATOM 739 C PRO A 46 -2.679 13.404 10.693 1.00 0.00 C ATOM 740 O PRO A 46 -1.790 14.084 11.209 1.00 0.00 O ATOM 741 CB PRO A 46 -3.348 14.082 8.365 1.00 0.00 C ATOM 742 CG PRO A 46 -4.631 13.444 7.947 1.00 0.00 C ATOM 743 CD PRO A 46 -4.350 11.975 7.865 1.00 0.00 C ATOM 0 HA PRO A 46 -1.559 12.939 8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.531 14.989 8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.752 14.369 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.423 13.651 8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.965 13.832 6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.245 11.381 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.974 11.689 6.883 1.00 0.00 H new ATOM 751 N ASP A 47 -3.723 12.949 11.376 1.00 0.00 N ATOM 752 CA ASP A 47 -3.907 13.244 12.794 1.00 0.00 C ATOM 753 C ASP A 47 -3.015 12.361 13.664 1.00 0.00 C ATOM 754 O ASP A 47 -2.704 12.707 14.804 1.00 0.00 O ATOM 755 CB ASP A 47 -5.371 13.052 13.189 1.00 0.00 C ATOM 756 CG ASP A 47 -5.614 13.335 14.657 1.00 0.00 C ATOM 757 OD1 ASP A 47 -5.577 14.521 15.051 1.00 0.00 O ATOM 758 OD2 ASP A 47 -5.850 12.378 15.422 1.00 0.00 O ATOM 0 H ASP A 47 -4.459 12.372 10.969 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.623 14.283 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.997 13.710 12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.674 12.030 12.964 1.00 0.00 H new ATOM 763 N GLY A 48 -2.591 11.231 13.122 1.00 0.00 N ATOM 764 CA GLY A 48 -1.774 10.309 13.884 1.00 0.00 C ATOM 765 C GLY A 48 -2.495 9.013 14.176 1.00 0.00 C ATOM 766 O GLY A 48 -1.943 8.106 14.797 1.00 0.00 O ATOM 0 H GLY A 48 -2.797 10.935 12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.858 10.097 13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.479 10.778 14.823 1.00 0.00 H new ATOM 770 N THR A 49 -3.743 8.925 13.740 1.00 0.00 N ATOM 771 CA THR A 49 -4.516 7.712 13.893 1.00 0.00 C ATOM 772 C THR A 49 -4.148 6.732 12.784 1.00 0.00 C ATOM 773 O THR A 49 -3.612 7.129 11.754 1.00 0.00 O ATOM 774 CB THR A 49 -6.020 8.020 13.837 1.00 0.00 C ATOM 775 OG1 THR A 49 -6.276 9.298 14.440 1.00 0.00 O ATOM 776 CG2 THR A 49 -6.820 6.953 14.564 1.00 0.00 C ATOM 0 H THR A 49 -4.239 9.686 13.276 1.00 0.00 H new ATOM 0 HA THR A 49 -4.289 7.270 14.863 1.00 0.00 H new ATOM 0 HB THR A 49 -6.327 8.035 12.791 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.236 9.492 14.401 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.882 7.194 14.510 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.644 5.984 14.096 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.510 6.914 15.608 1.00 0.00 H new ATOM 784 N ILE A 50 -4.419 5.459 12.995 1.00 0.00 N ATOM 785 CA ILE A 50 -4.052 4.434 12.024 1.00 0.00 C ATOM 786 C ILE A 50 -5.284 3.663 11.560 1.00 0.00 C ATOM 787 O ILE A 50 -6.109 3.251 12.373 1.00 0.00 O ATOM 788 CB ILE A 50 -3.024 3.444 12.619 1.00 0.00 C ATOM 789 CG1 ILE A 50 -1.818 4.204 13.185 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.574 2.449 11.555 1.00 0.00 C ATOM 791 CD1 ILE A 50 -0.840 3.322 13.929 1.00 0.00 C ATOM 0 H ILE A 50 -4.891 5.105 13.827 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.601 4.941 11.171 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.498 2.894 13.432 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.296 4.701 12.367 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.174 4.985 13.857 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.850 1.757 11.986 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.437 1.891 11.191 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.113 2.986 10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.014 3.928 14.301 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.346 2.845 14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.455 2.557 13.255 1.00 0.00 H new ATOM 803 N LYS A 51 -5.407 3.478 10.251 1.00 0.00 N ATOM 804 CA LYS A 51 -6.520 2.729 9.680 1.00 0.00 C ATOM 805 C LYS A 51 -6.041 1.852 8.532 1.00 0.00 C ATOM 806 O LYS A 51 -4.939 2.033 8.014 1.00 0.00 O ATOM 807 CB LYS A 51 -7.624 3.668 9.185 1.00 0.00 C ATOM 808 CG LYS A 51 -8.507 4.230 10.290 1.00 0.00 C ATOM 809 CD LYS A 51 -9.589 5.140 9.730 1.00 0.00 C ATOM 810 CE LYS A 51 -10.559 5.588 10.812 1.00 0.00 C ATOM 811 NZ LYS A 51 -11.351 4.453 11.355 1.00 0.00 N ATOM 0 H LYS A 51 -4.746 3.838 9.562 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.930 2.097 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.166 4.496 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.250 3.131 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.969 3.410 10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.894 4.786 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.128 6.014 9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.135 4.617 8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.005 6.063 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.235 6.340 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.171 4.821 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.681 3.853 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.756 3.890 11.996 1.00 0.00 H new ATOM 825 N ARG A 52 -6.874 0.900 8.144 1.00 0.00 N ATOM 826 CA ARG A 52 -6.570 0.020 7.028 1.00 0.00 C ATOM 827 C ARG A 52 -7.666 0.150 5.978 1.00 0.00 C ATOM 828 O ARG A 52 -8.831 -0.154 6.244 1.00 0.00 O ATOM 829 CB ARG A 52 -6.470 -1.429 7.498 1.00 0.00 C ATOM 830 CG ARG A 52 -5.602 -1.615 8.727 1.00 0.00 C ATOM 831 CD ARG A 52 -5.600 -3.063 9.166 1.00 0.00 C ATOM 832 NE ARG A 52 -5.116 -3.223 10.535 1.00 0.00 N ATOM 833 CZ ARG A 52 -5.172 -4.365 11.218 1.00 0.00 C ATOM 834 NH1 ARG A 52 -5.682 -5.457 10.659 1.00 0.00 N ATOM 835 NH2 ARG A 52 -4.713 -4.412 12.463 1.00 0.00 N ATOM 0 H ARG A 52 -7.773 0.716 8.590 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.610 0.307 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.472 -1.802 7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.070 -2.038 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.583 -1.294 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.970 -0.985 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.610 -3.465 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.973 -3.645 8.490 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.710 -2.409 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.033 -5.424 9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.722 -6.329 11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.319 -3.575 12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.754 -5.285 12.989 1.00 0.00 H new ATOM 849 N MET A 53 -7.297 0.605 4.794 1.00 0.00 N ATOM 850 CA MET A 53 -8.284 0.903 3.759 1.00 0.00 C ATOM 851 C MET A 53 -7.821 0.440 2.386 1.00 0.00 C ATOM 852 O MET A 53 -6.646 0.133 2.184 1.00 0.00 O ATOM 853 CB MET A 53 -8.595 2.404 3.716 1.00 0.00 C ATOM 854 CG MET A 53 -9.380 2.909 4.919 1.00 0.00 C ATOM 855 SD MET A 53 -9.807 4.656 4.795 1.00 0.00 S ATOM 856 CE MET A 53 -8.175 5.399 4.726 1.00 0.00 C ATOM 0 H MET A 53 -6.329 0.777 4.522 1.00 0.00 H new ATOM 0 HA MET A 53 -9.190 0.355 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.658 2.957 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.160 2.622 2.809 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.293 2.323 5.022 1.00 0.00 H new ATOM 0 HG3 MET A 53 -8.793 2.747 5.823 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.258 6.475 4.880 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.546 4.969 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.728 5.205 3.751 1.00 0.00 H new ATOM 866 N ARG A 54 -8.762 0.393 1.449 1.00 0.00 N ATOM 867 CA ARG A 54 -8.484 -0.035 0.082 1.00 0.00 C ATOM 868 C ARG A 54 -7.786 1.070 -0.697 1.00 0.00 C ATOM 869 O ARG A 54 -8.325 2.170 -0.864 1.00 0.00 O ATOM 870 CB ARG A 54 -9.781 -0.418 -0.636 1.00 0.00 C ATOM 871 CG ARG A 54 -10.555 -1.540 0.036 1.00 0.00 C ATOM 872 CD ARG A 54 -9.829 -2.870 -0.074 1.00 0.00 C ATOM 873 NE ARG A 54 -10.531 -3.929 0.647 1.00 0.00 N ATOM 874 CZ ARG A 54 -10.362 -5.229 0.426 1.00 0.00 C ATOM 875 NH1 ARG A 54 -9.557 -5.652 -0.541 1.00 0.00 N ATOM 876 NH2 ARG A 54 -11.009 -6.118 1.166 1.00 0.00 N ATOM 0 H ARG A 54 -9.735 0.649 1.614 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.829 -0.905 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.421 0.462 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.544 -0.716 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.710 -1.296 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.541 -1.625 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.733 -3.146 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.819 -2.767 0.323 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.196 -3.652 1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.061 -4.977 -1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.435 -6.652 -0.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.637 -5.805 1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.879 -7.115 0.996 1.00 0.00 H new ATOM 890 N VAL A 55 -6.587 0.785 -1.167 1.00 0.00 N ATOM 891 CA VAL A 55 -5.846 1.729 -1.982 1.00 0.00 C ATOM 892 C VAL A 55 -5.419 1.058 -3.277 1.00 0.00 C ATOM 893 O VAL A 55 -5.055 -0.118 -3.288 1.00 0.00 O ATOM 894 CB VAL A 55 -4.599 2.272 -1.242 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.912 3.350 -2.065 1.00 0.00 C ATOM 896 CG2 VAL A 55 -4.974 2.808 0.133 1.00 0.00 C ATOM 0 H VAL A 55 -6.103 -0.097 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.501 2.573 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.901 1.446 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.039 3.718 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.599 2.933 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.605 4.173 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.081 3.184 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.696 3.617 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.413 2.007 0.728 1.00 0.00 H new ATOM 906 N CYS A 56 -5.505 1.786 -4.377 1.00 0.00 N ATOM 907 CA CYS A 56 -5.074 1.258 -5.661 1.00 0.00 C ATOM 908 C CYS A 56 -3.552 1.291 -5.767 1.00 0.00 C ATOM 909 O CYS A 56 -2.906 2.195 -5.231 1.00 0.00 O ATOM 910 CB CYS A 56 -5.712 2.044 -6.808 1.00 0.00 C ATOM 911 SG CYS A 56 -5.428 3.826 -6.738 1.00 0.00 S ATOM 0 H CYS A 56 -5.867 2.739 -4.408 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.402 0.221 -5.735 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.325 1.663 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.786 1.859 -6.806 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.006 4.398 -7.752 1.00 0.00 H new ATOM 917 N THR A 57 -2.994 0.298 -6.448 1.00 0.00 N ATOM 918 CA THR A 57 -1.548 0.192 -6.637 1.00 0.00 C ATOM 919 C THR A 57 -0.972 1.466 -7.263 1.00 0.00 C ATOM 920 O THR A 57 0.170 1.842 -6.991 1.00 0.00 O ATOM 921 CB THR A 57 -1.192 -1.042 -7.505 1.00 0.00 C ATOM 922 OG1 THR A 57 0.232 -1.186 -7.623 1.00 0.00 O ATOM 923 CG2 THR A 57 -1.821 -0.943 -8.890 1.00 0.00 C ATOM 0 H THR A 57 -3.526 -0.455 -6.884 1.00 0.00 H new ATOM 0 HA THR A 57 -1.098 0.065 -5.652 1.00 0.00 H new ATOM 0 HB THR A 57 -1.596 -1.923 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.437 -1.971 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.553 -1.823 -9.475 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.905 -0.887 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.455 -0.048 -9.393 1.00 0.00 H new ATOM 931 N SER A 58 -1.780 2.140 -8.078 1.00 0.00 N ATOM 932 CA SER A 58 -1.376 3.389 -8.705 1.00 0.00 C ATOM 933 C SER A 58 -1.065 4.445 -7.644 1.00 0.00 C ATOM 934 O SER A 58 -0.029 5.110 -7.697 1.00 0.00 O ATOM 935 CB SER A 58 -2.497 3.871 -9.623 1.00 0.00 C ATOM 936 OG SER A 58 -3.059 2.781 -10.331 1.00 0.00 O ATOM 0 H SER A 58 -2.724 1.837 -8.319 1.00 0.00 H new ATOM 0 HA SER A 58 -0.472 3.224 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.269 4.368 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.108 4.608 -10.326 1.00 0.00 H new ATOM 0 HG SER A 58 -3.777 3.105 -10.914 1.00 0.00 H new ATOM 942 N CYS A 59 -1.962 4.583 -6.669 1.00 0.00 N ATOM 943 CA CYS A 59 -1.768 5.513 -5.570 1.00 0.00 C ATOM 944 C CYS A 59 -0.688 5.010 -4.617 1.00 0.00 C ATOM 945 O CYS A 59 0.047 5.805 -4.031 1.00 0.00 O ATOM 946 CB CYS A 59 -3.085 5.728 -4.823 1.00 0.00 C ATOM 947 SG CYS A 59 -4.258 6.791 -5.695 1.00 0.00 S ATOM 0 H CYS A 59 -2.834 4.056 -6.623 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.438 6.467 -5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.552 4.759 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.871 6.164 -3.847 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.124 6.055 -6.326 1.00 0.00 H new ATOM 953 N LEU A 60 -0.608 3.690 -4.461 1.00 0.00 N ATOM 954 CA LEU A 60 0.397 3.073 -3.600 1.00 0.00 C ATOM 955 C LEU A 60 1.811 3.416 -4.062 1.00 0.00 C ATOM 956 O LEU A 60 2.625 3.911 -3.282 1.00 0.00 O ATOM 957 CB LEU A 60 0.225 1.550 -3.573 1.00 0.00 C ATOM 958 CG LEU A 60 -0.993 1.030 -2.802 1.00 0.00 C ATOM 959 CD1 LEU A 60 -1.051 -0.486 -2.858 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.949 1.507 -1.357 1.00 0.00 C ATOM 0 H LEU A 60 -1.230 3.026 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 60 0.253 3.471 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.161 1.192 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.122 1.110 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.893 1.427 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.922 -0.837 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.125 -0.809 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.147 -0.901 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.821 1.129 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.042 1.137 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.953 2.597 -1.333 1.00 0.00 H new ATOM 972 N LYS A 61 2.089 3.162 -5.333 1.00 0.00 N ATOM 973 CA LYS A 61 3.424 3.371 -5.877 1.00 0.00 C ATOM 974 C LYS A 61 3.740 4.853 -6.033 1.00 0.00 C ATOM 975 O LYS A 61 4.817 5.304 -5.647 1.00 0.00 O ATOM 976 CB LYS A 61 3.583 2.652 -7.218 1.00 0.00 C ATOM 977 CG LYS A 61 3.595 1.136 -7.099 1.00 0.00 C ATOM 978 CD LYS A 61 3.840 0.477 -8.446 1.00 0.00 C ATOM 979 CE LYS A 61 3.955 -1.033 -8.322 1.00 0.00 C ATOM 980 NZ LYS A 61 5.097 -1.434 -7.460 1.00 0.00 N ATOM 0 H LYS A 61 1.408 2.811 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 61 4.134 2.949 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.769 2.950 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.511 2.978 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.370 0.831 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.643 0.794 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.025 0.725 -9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.754 0.876 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.030 -1.435 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.077 -1.470 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.278 -2.452 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.945 -0.898 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.869 -1.233 -6.466 1.00 0.00 H new ATOM 994 N SER A 62 2.799 5.613 -6.581 1.00 0.00 N ATOM 995 CA SER A 62 3.020 7.034 -6.818 1.00 0.00 C ATOM 996 C SER A 62 3.082 7.806 -5.500 1.00 0.00 C ATOM 997 O SER A 62 3.714 8.861 -5.419 1.00 0.00 O ATOM 998 CB SER A 62 1.921 7.604 -7.715 1.00 0.00 C ATOM 999 OG SER A 62 2.224 8.928 -8.122 1.00 0.00 O ATOM 0 H SER A 62 1.882 5.272 -6.868 1.00 0.00 H new ATOM 0 HA SER A 62 3.979 7.146 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.800 6.970 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.971 7.594 -7.181 1.00 0.00 H new ATOM 0 HG SER A 62 1.505 9.267 -8.696 1.00 0.00 H new ATOM 1005 N GLY A 63 2.423 7.283 -4.475 1.00 0.00 N ATOM 1006 CA GLY A 63 2.468 7.910 -3.171 1.00 0.00 C ATOM 1007 C GLY A 63 1.564 9.122 -3.072 1.00 0.00 C ATOM 1008 O GLY A 63 1.984 10.182 -2.614 1.00 0.00 O ATOM 0 H GLY A 63 1.858 6.435 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.178 7.183 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.493 8.208 -2.951 1.00 0.00 H new ATOM 1012 N LYS A 64 0.321 8.973 -3.509 1.00 0.00 N ATOM 1013 CA LYS A 64 -0.648 10.052 -3.396 1.00 0.00 C ATOM 1014 C LYS A 64 -1.338 9.983 -2.035 1.00 0.00 C ATOM 1015 O LYS A 64 -1.763 10.997 -1.484 1.00 0.00 O ATOM 1016 CB LYS A 64 -1.675 9.991 -4.539 1.00 0.00 C ATOM 1017 CG LYS A 64 -2.567 11.227 -4.639 1.00 0.00 C ATOM 1018 CD LYS A 64 -3.834 11.100 -3.796 1.00 0.00 C ATOM 1019 CE LYS A 64 -4.404 12.463 -3.415 1.00 0.00 C ATOM 1020 NZ LYS A 64 -4.742 13.295 -4.598 1.00 0.00 N ATOM 0 H LYS A 64 -0.037 8.122 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.125 11.005 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.146 9.860 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.304 9.112 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.006 12.104 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.842 11.390 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.584 10.535 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.613 10.533 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.298 12.321 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.681 12.995 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.156 14.195 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.879 13.484 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.428 12.789 -5.194 1.00 0.00 H new ATOM 1034 N VAL A 65 -1.432 8.776 -1.492 1.00 0.00 N ATOM 1035 CA VAL A 65 -2.003 8.574 -0.169 1.00 0.00 C ATOM 1036 C VAL A 65 -0.990 8.956 0.903 1.00 0.00 C ATOM 1037 O VAL A 65 0.177 9.213 0.595 1.00 0.00 O ATOM 1038 CB VAL A 65 -2.458 7.114 0.037 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -3.579 6.768 -0.929 1.00 0.00 C ATOM 1040 CG2 VAL A 65 -1.289 6.149 -0.130 1.00 0.00 C ATOM 0 H VAL A 65 -1.119 7.920 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.881 9.215 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.833 7.015 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.889 5.735 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.426 7.432 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.227 6.889 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.637 5.127 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.876 6.248 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.518 6.381 0.604 1.00 0.00 H new ATOM 1050 N LYS A 66 -1.429 8.998 2.155 1.00 0.00 N ATOM 1051 CA LYS A 66 -0.545 9.381 3.245 1.00 0.00 C ATOM 1052 C LYS A 66 0.509 8.305 3.485 1.00 0.00 C ATOM 1053 O LYS A 66 1.689 8.613 3.646 1.00 0.00 O ATOM 1054 CB LYS A 66 -1.338 9.645 4.524 1.00 0.00 C ATOM 1055 CG LYS A 66 -0.542 10.422 5.560 1.00 0.00 C ATOM 1056 CD LYS A 66 -0.186 11.811 5.046 1.00 0.00 C ATOM 1057 CE LYS A 66 0.819 12.506 5.945 1.00 0.00 C ATOM 1058 NZ LYS A 66 1.121 13.881 5.467 1.00 0.00 N ATOM 0 H LYS A 66 -2.383 8.774 2.438 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.040 10.304 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.243 10.200 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.654 8.694 4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.121 10.508 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.369 9.877 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.222 11.732 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.090 12.415 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.429 12.551 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.739 11.923 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.811 14.326 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.517 13.835 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.247 14.444 5.455 1.00 0.00 H new ATOM 1072 N LYS A 67 0.061 7.045 3.499 1.00 0.00 N ATOM 1073 CA LYS A 67 0.949 5.882 3.624 1.00 0.00 C ATOM 1074 C LYS A 67 1.536 5.781 5.037 1.00 0.00 C ATOM 1075 O LYS A 67 1.967 6.772 5.616 1.00 0.00 O ATOM 1076 CB LYS A 67 2.064 5.964 2.560 1.00 0.00 C ATOM 1077 CG LYS A 67 2.952 4.731 2.444 1.00 0.00 C ATOM 1078 CD LYS A 67 4.041 4.954 1.399 1.00 0.00 C ATOM 1079 CE LYS A 67 4.878 3.704 1.158 1.00 0.00 C ATOM 1080 NZ LYS A 67 5.945 3.941 0.142 1.00 0.00 N ATOM 0 H LYS A 67 -0.927 6.802 3.424 1.00 0.00 H new ATOM 0 HA LYS A 67 0.367 4.976 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.603 6.151 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.694 6.824 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.406 4.510 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.349 3.865 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.582 5.267 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.691 5.767 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.333 3.384 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.232 2.892 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.790 3.317 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.915 4.933 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.875 3.738 0.561 1.00 0.00 H new ATOM 1094 N TYR A 68 1.534 4.573 5.597 1.00 0.00 N ATOM 1095 CA TYR A 68 2.091 4.351 6.935 1.00 0.00 C ATOM 1096 C TYR A 68 3.612 4.429 6.885 1.00 0.00 C ATOM 1097 O TYR A 68 4.284 4.570 7.907 1.00 0.00 O ATOM 1098 CB TYR A 68 1.635 2.995 7.486 1.00 0.00 C ATOM 1099 CG TYR A 68 1.971 2.769 8.946 1.00 0.00 C ATOM 1100 CD1 TYR A 68 1.317 3.475 9.946 1.00 0.00 C ATOM 1101 CD2 TYR A 68 2.932 1.837 9.325 1.00 0.00 C ATOM 1102 CE1 TYR A 68 1.615 3.268 11.281 1.00 0.00 C ATOM 1103 CE2 TYR A 68 3.237 1.625 10.656 1.00 0.00 C ATOM 1104 CZ TYR A 68 2.574 2.340 11.631 1.00 0.00 C ATOM 1105 OH TYR A 68 2.867 2.129 12.961 1.00 0.00 O ATOM 0 H TYR A 68 1.157 3.737 5.151 1.00 0.00 H new ATOM 0 HA TYR A 68 1.725 5.130 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.556 2.908 7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.093 2.203 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.562 4.199 9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.449 1.269 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.099 3.830 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.991 0.903 10.931 1.00 0.00 H new ATOM 0 HH TYR A 68 3.563 1.443 13.038 1.00 0.00 H new ATOM 1115 N VAL A 69 4.122 4.355 5.667 1.00 0.00 N ATOM 1116 CA VAL A 69 5.547 4.474 5.377 1.00 0.00 C ATOM 1117 C VAL A 69 6.377 3.434 6.127 1.00 0.00 C ATOM 1118 O VAL A 69 6.972 3.714 7.172 1.00 0.00 O ATOM 1119 CB VAL A 69 6.093 5.890 5.681 1.00 0.00 C ATOM 1120 CG1 VAL A 69 7.544 6.019 5.236 1.00 0.00 C ATOM 1121 CG2 VAL A 69 5.234 6.953 5.009 1.00 0.00 C ATOM 0 H VAL A 69 3.550 4.208 4.835 1.00 0.00 H new ATOM 0 HA VAL A 69 5.644 4.290 4.307 1.00 0.00 H new ATOM 0 HB VAL A 69 6.051 6.043 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.905 7.023 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.154 5.287 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.613 5.840 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.635 7.941 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.240 6.797 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.212 6.883 5.380 1.00 0.00 H new ATOM 1131 N GLY A 70 6.372 2.218 5.612 1.00 0.00 N ATOM 1132 CA GLY A 70 7.325 1.231 6.060 1.00 0.00 C ATOM 1133 C GLY A 70 8.550 1.282 5.181 1.00 0.00 C ATOM 1134 O GLY A 70 9.671 1.482 5.650 1.00 0.00 O ATOM 0 H GLY A 70 5.725 1.897 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.600 1.420 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.879 0.237 6.024 1.00 0.00 H new ATOM 1138 N GLN A 71 8.316 1.119 3.892 1.00 0.00 N ATOM 1139 CA GLN A 71 9.334 1.349 2.885 1.00 0.00 C ATOM 1140 C GLN A 71 9.110 2.724 2.267 1.00 0.00 C ATOM 1141 O GLN A 71 7.963 3.137 2.071 1.00 0.00 O ATOM 1142 CB GLN A 71 9.268 0.269 1.802 1.00 0.00 C ATOM 1143 CG GLN A 71 10.307 0.434 0.708 1.00 0.00 C ATOM 1144 CD GLN A 71 10.170 -0.610 -0.379 1.00 0.00 C ATOM 1145 OE1 GLN A 71 9.465 -0.406 -1.368 1.00 0.00 O ATOM 1146 NE2 GLN A 71 10.836 -1.736 -0.196 1.00 0.00 N ATOM 0 H GLN A 71 7.416 0.824 3.514 1.00 0.00 H new ATOM 0 HA GLN A 71 10.320 1.307 3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.397 -0.708 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.275 0.279 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.213 1.427 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.304 0.371 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.408 -1.860 0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.778 -2.481 -0.890 1.00 0.00 H new ATOM 1155 N VAL A 72 10.187 3.440 1.982 1.00 0.00 N ATOM 1156 CA VAL A 72 10.080 4.769 1.400 1.00 0.00 C ATOM 1157 C VAL A 72 9.932 4.707 -0.125 1.00 0.00 C ATOM 1158 O VAL A 72 8.833 4.889 -0.649 1.00 0.00 O ATOM 1159 CB VAL A 72 11.275 5.672 1.794 1.00 0.00 C ATOM 1160 CG1 VAL A 72 11.076 6.226 3.197 1.00 0.00 C ATOM 1161 CG2 VAL A 72 12.599 4.915 1.724 1.00 0.00 C ATOM 0 H VAL A 72 11.143 3.124 2.144 1.00 0.00 H new ATOM 0 HA VAL A 72 9.175 5.217 1.811 1.00 0.00 H new ATOM 0 HB VAL A 72 11.315 6.494 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.923 6.859 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.159 6.815 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.003 5.402 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.414 5.581 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.570 4.066 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.760 4.556 0.707 1.00 0.00 H new ATOM 1171 N SER A 73 11.025 4.426 -0.823 1.00 0.00 N ATOM 1172 CA SER A 73 11.027 4.386 -2.277 1.00 0.00 C ATOM 1173 C SER A 73 10.941 2.947 -2.782 1.00 0.00 C ATOM 1174 O SER A 73 11.309 2.009 -2.071 1.00 0.00 O ATOM 1175 CB SER A 73 12.295 5.067 -2.798 1.00 0.00 C ATOM 1176 OG SER A 73 13.437 4.615 -2.083 1.00 0.00 O ATOM 0 H SER A 73 11.930 4.221 -0.399 1.00 0.00 H new ATOM 0 HA SER A 73 10.152 4.919 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.417 4.855 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.201 6.148 -2.697 1.00 0.00 H new ATOM 0 HG SER A 73 14.238 5.060 -2.431 1.00 0.00 H new ATOM 1182 N GLU A 74 10.453 2.782 -4.008 1.00 0.00 N ATOM 1183 CA GLU A 74 10.303 1.458 -4.604 1.00 0.00 C ATOM 1184 C GLU A 74 11.659 0.903 -5.022 1.00 0.00 C ATOM 1185 O GLU A 74 12.432 1.576 -5.713 1.00 0.00 O ATOM 1186 CB GLU A 74 9.373 1.512 -5.822 1.00 0.00 C ATOM 1187 CG GLU A 74 9.202 0.167 -6.516 1.00 0.00 C ATOM 1188 CD GLU A 74 8.476 0.274 -7.840 1.00 0.00 C ATOM 1189 OE1 GLU A 74 8.947 1.020 -8.721 1.00 0.00 O ATOM 1190 OE2 GLU A 74 7.431 -0.387 -8.011 1.00 0.00 O ATOM 0 H GLU A 74 10.154 3.550 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 74 9.864 0.801 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.395 1.876 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.766 2.234 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.183 -0.278 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.652 -0.507 -5.860 1.00 0.00 H new ATOM 1197 N VAL A 75 11.951 -0.318 -4.593 1.00 0.00 N ATOM 1198 CA VAL A 75 13.174 -1.001 -4.996 1.00 0.00 C ATOM 1199 C VAL A 75 13.146 -1.277 -6.496 1.00 0.00 C ATOM 1200 O VAL A 75 12.190 -1.860 -7.014 1.00 0.00 O ATOM 1201 CB VAL A 75 13.369 -2.328 -4.227 1.00 0.00 C ATOM 1202 CG1 VAL A 75 14.681 -3.000 -4.625 1.00 0.00 C ATOM 1203 CG2 VAL A 75 13.327 -2.089 -2.724 1.00 0.00 C ATOM 0 H VAL A 75 11.356 -0.857 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 75 14.012 -0.347 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 75 12.550 -2.996 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.795 -3.931 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 75 14.671 -3.213 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 75 15.514 -2.336 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.466 -3.035 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.122 -1.399 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.362 -1.662 -2.450 1.00 0.00 H new ATOM 1213 N GLY A 76 14.188 -0.847 -7.185 1.00 0.00 N ATOM 1214 CA GLY A 76 14.229 -0.962 -8.628 1.00 0.00 C ATOM 1215 C GLY A 76 14.755 0.307 -9.257 1.00 0.00 C ATOM 1216 O GLY A 76 15.323 0.293 -10.349 1.00 0.00 O ATOM 0 H GLY A 76 15.014 -0.417 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.862 -1.802 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.230 -1.174 -9.008 1.00 0.00 H new ATOM 1220 N SER A 77 14.557 1.409 -8.558 1.00 0.00 N ATOM 1221 CA SER A 77 15.092 2.690 -8.974 1.00 0.00 C ATOM 1222 C SER A 77 15.840 3.317 -7.806 1.00 0.00 C ATOM 1223 O SER A 77 15.301 4.256 -7.186 1.00 0.00 O ATOM 1224 CB SER A 77 13.963 3.612 -9.439 1.00 0.00 C ATOM 1225 OG SER A 77 13.123 2.953 -10.373 1.00 0.00 O ATOM 1226 OXT SER A 77 16.937 2.822 -7.471 1.00 0.00 O ATOM 0 H SER A 77 14.023 1.441 -7.690 1.00 0.00 H new ATOM 0 HA SER A 77 15.777 2.545 -9.809 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.375 3.935 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.384 4.509 -9.893 1.00 0.00 H new ATOM 0 HG SER A 77 12.408 3.561 -10.655 1.00 0.00 H new TER 1232 SER A 77