USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot 61:sc= 1.92 USER MOD Set 1.2: A 29 SER OG : rot -112:sc= 1.31 USER MOD Single : A 1 MET CE :methyl -146:sc= -1.75! (180deg=-4.89!) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.27 (180deg=0.908) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.513 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.784 K(o=0.87,f=-2.9!) USER MOD Single : A 22 GLN : amide:sc= 0.835 K(o=0.83,f=-6.7!) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= 1.19 (180deg=1.15) USER MOD Single : A 25 GLN : amide:sc= 0.554 K(o=0.55,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.992! C(o=-0.99!,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -175:sc= 0.875 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 161:sc= -0.137 (180deg=-0.648) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 54 SER OG : rot 180:sc= -0.139 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 64 HIS : no HE2:sc= 1.06 K(o=1.1,f=-6.2!) USER MOD Single : A 65 HIS : no HD1:sc= -0.0561 K(o=-0.056,f=-2.4!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.01) USER MOD Single : A 67 HIS : no HD1:sc=-0.00709 X(o=-0.0071,f=-0.0071) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.410 21.052 -9.051 1.00 0.00 N ATOM 2 CA MET A 1 5.385 19.760 -8.331 1.00 0.00 C ATOM 3 C MET A 1 4.226 18.912 -8.830 1.00 0.00 C ATOM 4 O MET A 1 3.088 19.062 -8.383 1.00 0.00 O ATOM 5 CB MET A 1 5.263 19.985 -6.816 1.00 0.00 C ATOM 6 CG MET A 1 5.237 18.706 -5.978 1.00 0.00 C ATOM 7 SD MET A 1 6.866 17.953 -5.734 1.00 0.00 S ATOM 8 CE MET A 1 7.223 17.277 -7.357 1.00 0.00 C ATOM 0 H1 MET A 1 6.383 21.419 -9.072 1.00 0.00 H new ATOM 0 H2 MET A 1 5.071 20.914 -10.024 1.00 0.00 H new ATOM 0 H3 MET A 1 4.794 21.733 -8.563 1.00 0.00 H new ATOM 0 HA MET A 1 6.321 19.236 -8.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.099 20.602 -6.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.352 20.550 -6.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.802 18.931 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.581 17.981 -6.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.791 16.353 -7.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.289 17.069 -7.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.806 17.997 -7.931 1.00 0.00 H new ATOM 20 N GLU A 2 4.512 18.037 -9.778 1.00 0.00 N ATOM 21 CA GLU A 2 3.475 17.242 -10.406 1.00 0.00 C ATOM 22 C GLU A 2 3.377 15.879 -9.742 1.00 0.00 C ATOM 23 O GLU A 2 4.164 14.978 -10.023 1.00 0.00 O ATOM 24 CB GLU A 2 3.737 17.090 -11.906 1.00 0.00 C ATOM 25 CG GLU A 2 3.661 18.398 -12.686 1.00 0.00 C ATOM 26 CD GLU A 2 4.807 19.346 -12.388 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.904 19.147 -12.946 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.618 20.296 -11.597 1.00 0.00 O ATOM 0 H GLU A 2 5.453 17.860 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 2 2.524 17.760 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.724 16.651 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.013 16.389 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.652 18.176 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.719 18.895 -12.456 1.00 0.00 H new ATOM 35 N LYS A 3 2.425 15.748 -8.831 1.00 0.00 N ATOM 36 CA LYS A 3 2.198 14.499 -8.134 1.00 0.00 C ATOM 37 C LYS A 3 0.711 14.197 -8.063 1.00 0.00 C ATOM 38 O LYS A 3 -0.115 15.112 -8.027 1.00 0.00 O ATOM 39 CB LYS A 3 2.809 14.527 -6.732 1.00 0.00 C ATOM 40 CG LYS A 3 4.323 14.422 -6.740 1.00 0.00 C ATOM 41 CD LYS A 3 4.879 14.193 -5.347 1.00 0.00 C ATOM 42 CE LYS A 3 6.371 13.918 -5.395 1.00 0.00 C ATOM 43 NZ LYS A 3 6.918 13.563 -4.062 1.00 0.00 N ATOM 0 H LYS A 3 1.794 16.501 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 3 2.690 13.705 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.518 15.452 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.397 13.705 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.627 13.603 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.749 15.335 -7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.687 15.068 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.366 13.352 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.567 13.105 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.889 14.798 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.939 13.384 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.755 14.348 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.443 12.708 -3.708 1.00 0.00 H new ATOM 57 N LYS A 4 0.394 12.908 -8.033 1.00 0.00 N ATOM 58 CA LYS A 4 -0.981 12.422 -8.103 1.00 0.00 C ATOM 59 C LYS A 4 -1.659 12.869 -9.395 1.00 0.00 C ATOM 60 O LYS A 4 -2.375 13.869 -9.433 1.00 0.00 O ATOM 61 CB LYS A 4 -1.803 12.853 -6.895 1.00 0.00 C ATOM 62 CG LYS A 4 -3.161 12.183 -6.866 1.00 0.00 C ATOM 63 CD LYS A 4 -3.913 12.452 -5.583 1.00 0.00 C ATOM 64 CE LYS A 4 -4.238 13.928 -5.407 1.00 0.00 C ATOM 65 NZ LYS A 4 -5.179 14.146 -4.278 1.00 0.00 N ATOM 0 H LYS A 4 1.088 12.164 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.931 11.333 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.260 12.611 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.933 13.935 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.754 12.534 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.034 11.108 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.838 11.875 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.318 12.109 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.319 14.486 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.674 14.318 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.380 15.162 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.065 13.633 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.751 13.796 -3.397 1.00 0.00 H new ATOM 79 N PHE A 5 -1.383 12.134 -10.455 1.00 0.00 N ATOM 80 CA PHE A 5 -2.028 12.350 -11.743 1.00 0.00 C ATOM 81 C PHE A 5 -2.160 11.016 -12.449 1.00 0.00 C ATOM 82 O PHE A 5 -3.244 10.628 -12.886 1.00 0.00 O ATOM 83 CB PHE A 5 -1.212 13.333 -12.587 1.00 0.00 C ATOM 84 CG PHE A 5 -1.791 13.614 -13.944 1.00 0.00 C ATOM 85 CD1 PHE A 5 -2.808 14.539 -14.099 1.00 0.00 C ATOM 86 CD2 PHE A 5 -1.310 12.955 -15.066 1.00 0.00 C ATOM 87 CE1 PHE A 5 -3.338 14.802 -15.347 1.00 0.00 C ATOM 88 CE2 PHE A 5 -1.837 13.214 -16.314 1.00 0.00 C ATOM 89 CZ PHE A 5 -2.851 14.137 -16.456 1.00 0.00 C ATOM 0 H PHE A 5 -0.707 11.370 -10.451 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.018 12.781 -11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.121 14.273 -12.042 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.204 12.938 -12.710 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.192 15.061 -13.235 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.515 12.232 -14.961 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.132 15.526 -15.456 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.455 12.694 -17.180 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.264 14.340 -17.433 1.00 0.00 H new ATOM 99 N LEU A 6 -1.042 10.314 -12.548 1.00 0.00 N ATOM 100 CA LEU A 6 -1.033 8.950 -13.055 1.00 0.00 C ATOM 101 C LEU A 6 -1.069 7.958 -11.896 1.00 0.00 C ATOM 102 O LEU A 6 -0.977 6.748 -12.091 1.00 0.00 O ATOM 103 CB LEU A 6 0.190 8.722 -13.957 1.00 0.00 C ATOM 104 CG LEU A 6 1.523 9.266 -13.436 1.00 0.00 C ATOM 105 CD1 LEU A 6 2.093 8.392 -12.329 1.00 0.00 C ATOM 106 CD2 LEU A 6 2.520 9.395 -14.576 1.00 0.00 C ATOM 0 H LEU A 6 -0.123 10.669 -12.282 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.924 8.788 -13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.298 7.650 -14.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.010 9.176 -14.927 1.00 0.00 H new ATOM 0 HG LEU A 6 1.336 10.253 -13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.039 8.811 -11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.390 8.354 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.259 7.384 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.464 9.783 -14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.686 8.416 -15.026 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.126 10.078 -15.328 1.00 0.00 H new ATOM 118 N ASP A 7 -1.212 8.495 -10.689 1.00 0.00 N ATOM 119 CA ASP A 7 -1.275 7.680 -9.485 1.00 0.00 C ATOM 120 C ASP A 7 -2.727 7.412 -9.110 1.00 0.00 C ATOM 121 O ASP A 7 -3.301 6.415 -9.542 1.00 0.00 O ATOM 122 CB ASP A 7 -0.551 8.387 -8.331 1.00 0.00 C ATOM 123 CG ASP A 7 -0.621 7.615 -7.027 1.00 0.00 C ATOM 124 OD1 ASP A 7 0.168 6.672 -6.855 1.00 0.00 O ATOM 125 OD2 ASP A 7 -1.449 7.969 -6.159 1.00 0.00 O ATOM 0 H ASP A 7 -1.287 9.498 -10.520 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.781 6.728 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.494 8.537 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.988 9.375 -8.186 1.00 0.00 H new ATOM 130 N ILE A 8 -3.311 8.336 -8.332 1.00 0.00 N ATOM 131 CA ILE A 8 -4.729 8.300 -7.937 1.00 0.00 C ATOM 132 C ILE A 8 -5.202 6.894 -7.543 1.00 0.00 C ATOM 133 O ILE A 8 -6.346 6.510 -7.803 1.00 0.00 O ATOM 134 CB ILE A 8 -5.671 8.923 -9.006 1.00 0.00 C ATOM 135 CG1 ILE A 8 -5.390 8.388 -10.414 1.00 0.00 C ATOM 136 CG2 ILE A 8 -5.544 10.440 -8.982 1.00 0.00 C ATOM 137 CD1 ILE A 8 -6.340 8.919 -11.467 1.00 0.00 C ATOM 0 H ILE A 8 -2.807 9.139 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.792 8.925 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.691 8.635 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.369 8.647 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.450 7.300 -10.398 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.206 10.872 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.821 10.813 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.514 10.722 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.080 8.497 -12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.361 8.637 -11.211 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.263 10.005 -11.511 1.00 0.00 H new ATOM 149 N LEU A 9 -4.322 6.145 -6.884 1.00 0.00 N ATOM 150 CA LEU A 9 -4.633 4.787 -6.462 1.00 0.00 C ATOM 151 C LEU A 9 -5.273 4.801 -5.082 1.00 0.00 C ATOM 152 O LEU A 9 -4.693 5.316 -4.123 1.00 0.00 O ATOM 153 CB LEU A 9 -3.368 3.928 -6.441 1.00 0.00 C ATOM 154 CG LEU A 9 -2.669 3.766 -7.794 1.00 0.00 C ATOM 155 CD1 LEU A 9 -1.359 3.013 -7.640 1.00 0.00 C ATOM 156 CD2 LEU A 9 -3.579 3.056 -8.786 1.00 0.00 C ATOM 0 H LEU A 9 -3.385 6.459 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.335 4.356 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.662 4.366 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.626 2.939 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.446 4.760 -8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.881 2.911 -8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.700 3.563 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.554 2.024 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.064 2.951 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.836 2.069 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.489 3.639 -8.927 1.00 0.00 H new ATOM 168 N VAL A 10 -6.462 4.227 -4.988 1.00 0.00 N ATOM 169 CA VAL A 10 -7.240 4.272 -3.757 1.00 0.00 C ATOM 170 C VAL A 10 -7.786 2.894 -3.386 1.00 0.00 C ATOM 171 O VAL A 10 -8.011 2.047 -4.255 1.00 0.00 O ATOM 172 CB VAL A 10 -8.416 5.275 -3.857 1.00 0.00 C ATOM 173 CG1 VAL A 10 -7.902 6.695 -4.049 1.00 0.00 C ATOM 174 CG2 VAL A 10 -9.364 4.892 -4.984 1.00 0.00 C ATOM 0 H VAL A 10 -6.912 3.722 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.557 4.606 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.970 5.236 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.746 7.381 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.275 6.973 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.316 6.749 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.181 5.612 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.823 4.892 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.768 3.897 -4.797 1.00 0.00 H new ATOM 184 N CYS A 11 -7.975 2.680 -2.087 1.00 0.00 N ATOM 185 CA CYS A 11 -8.539 1.438 -1.569 1.00 0.00 C ATOM 186 C CYS A 11 -10.001 1.294 -1.985 1.00 0.00 C ATOM 187 O CYS A 11 -10.698 2.288 -2.167 1.00 0.00 O ATOM 188 CB CYS A 11 -8.460 1.426 -0.041 1.00 0.00 C ATOM 189 SG CYS A 11 -6.908 2.055 0.634 1.00 0.00 S ATOM 0 H CYS A 11 -7.742 3.362 -1.365 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.964 0.608 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.282 2.021 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.606 0.404 0.310 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.745 3.291 0.267 1.00 0.00 H new ATOM 195 N PRO A 12 -10.489 0.058 -2.131 1.00 0.00 N ATOM 196 CA PRO A 12 -11.898 -0.201 -2.441 1.00 0.00 C ATOM 197 C PRO A 12 -12.803 0.051 -1.236 1.00 0.00 C ATOM 198 O PRO A 12 -14.002 0.277 -1.379 1.00 0.00 O ATOM 199 CB PRO A 12 -11.926 -1.690 -2.822 1.00 0.00 C ATOM 200 CG PRO A 12 -10.496 -2.108 -2.936 1.00 0.00 C ATOM 201 CD PRO A 12 -9.719 -1.186 -2.044 1.00 0.00 C ATOM 0 HA PRO A 12 -12.266 0.456 -3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.446 -2.278 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.454 -1.843 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.368 -3.146 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.150 -2.035 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.665 -1.560 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.694 -1.054 -2.390 1.00 0.00 H new ATOM 209 N VAL A 13 -12.212 0.018 -0.047 1.00 0.00 N ATOM 210 CA VAL A 13 -12.970 0.179 1.190 1.00 0.00 C ATOM 211 C VAL A 13 -13.320 1.646 1.459 1.00 0.00 C ATOM 212 O VAL A 13 -14.476 2.048 1.348 1.00 0.00 O ATOM 213 CB VAL A 13 -12.194 -0.385 2.400 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.025 -0.294 3.669 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.767 -1.821 2.147 1.00 0.00 C ATOM 0 H VAL A 13 -11.210 -0.119 0.087 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.895 -0.383 1.060 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.298 0.221 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.456 -0.698 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.273 0.749 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.943 -0.868 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.222 -2.197 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.649 -2.438 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.123 -1.860 1.269 1.00 0.00 H new ATOM 225 N THR A 14 -12.317 2.441 1.813 1.00 0.00 N ATOM 226 CA THR A 14 -12.541 3.834 2.186 1.00 0.00 C ATOM 227 C THR A 14 -12.019 4.784 1.104 1.00 0.00 C ATOM 228 O THR A 14 -12.137 6.002 1.219 1.00 0.00 O ATOM 229 CB THR A 14 -11.874 4.143 3.548 1.00 0.00 C ATOM 230 OG1 THR A 14 -12.196 5.468 3.987 1.00 0.00 O ATOM 231 CG2 THR A 14 -10.366 3.984 3.467 1.00 0.00 C ATOM 0 H THR A 14 -11.341 2.146 1.850 1.00 0.00 H new ATOM 0 HA THR A 14 -13.616 3.990 2.281 1.00 0.00 H new ATOM 0 HB THR A 14 -12.263 3.427 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.276 6.060 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.924 4.207 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.123 2.960 3.185 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.967 4.671 2.720 1.00 0.00 H new ATOM 239 N LYS A 15 -11.457 4.202 0.046 1.00 0.00 N ATOM 240 CA LYS A 15 -10.924 4.958 -1.091 1.00 0.00 C ATOM 241 C LYS A 15 -9.811 5.924 -0.681 1.00 0.00 C ATOM 242 O LYS A 15 -9.638 6.983 -1.290 1.00 0.00 O ATOM 243 CB LYS A 15 -12.041 5.705 -1.824 1.00 0.00 C ATOM 244 CG LYS A 15 -13.117 4.786 -2.386 1.00 0.00 C ATOM 245 CD LYS A 15 -13.901 5.449 -3.508 1.00 0.00 C ATOM 246 CE LYS A 15 -14.590 6.723 -3.046 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.280 7.411 -4.168 1.00 0.00 N ATOM 0 H LYS A 15 -11.357 3.191 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.483 4.230 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.503 6.416 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.607 6.284 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.655 3.871 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.800 4.497 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.228 5.680 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.647 4.752 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.313 6.484 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.854 7.395 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.739 8.275 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.586 7.661 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.999 6.778 -4.574 1.00 0.00 H new ATOM 261 N GLY A 16 -9.048 5.543 0.334 1.00 0.00 N ATOM 262 CA GLY A 16 -7.853 6.286 0.685 1.00 0.00 C ATOM 263 C GLY A 16 -6.689 5.862 -0.187 1.00 0.00 C ATOM 264 O GLY A 16 -6.756 4.813 -0.824 1.00 0.00 O ATOM 0 H GLY A 16 -9.235 4.731 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.034 7.354 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.609 6.119 1.734 1.00 0.00 H new ATOM 268 N ARG A 17 -5.642 6.673 -0.249 1.00 0.00 N ATOM 269 CA ARG A 17 -4.496 6.377 -1.073 1.00 0.00 C ATOM 270 C ARG A 17 -3.790 5.099 -0.637 1.00 0.00 C ATOM 271 O ARG A 17 -3.685 4.791 0.550 1.00 0.00 O ATOM 272 CB ARG A 17 -3.551 7.559 -1.014 1.00 0.00 C ATOM 273 CG ARG A 17 -2.697 7.727 -2.241 1.00 0.00 C ATOM 274 CD ARG A 17 -1.433 6.880 -2.177 1.00 0.00 C ATOM 275 NE ARG A 17 -0.629 6.961 -3.400 1.00 0.00 N ATOM 276 CZ ARG A 17 0.705 6.952 -3.407 1.00 0.00 C ATOM 277 NH1 ARG A 17 1.375 6.912 -2.266 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.371 6.984 -4.552 1.00 0.00 N ATOM 0 H ARG A 17 -5.570 7.548 0.270 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.830 6.209 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.133 8.468 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.902 7.448 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.273 7.452 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.425 8.777 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.829 7.202 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.707 5.841 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.116 7.028 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.871 6.888 -1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.395 6.905 -2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.864 7.016 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.391 6.977 -4.549 1.00 0.00 H new ATOM 292 N LEU A 18 -3.306 4.378 -1.628 1.00 0.00 N ATOM 293 CA LEU A 18 -2.605 3.120 -1.417 1.00 0.00 C ATOM 294 C LEU A 18 -1.103 3.346 -1.297 1.00 0.00 C ATOM 295 O LEU A 18 -0.454 3.786 -2.246 1.00 0.00 O ATOM 296 CB LEU A 18 -2.892 2.161 -2.577 1.00 0.00 C ATOM 297 CG LEU A 18 -4.335 1.656 -2.670 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.579 0.981 -4.009 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.623 0.684 -1.538 1.00 0.00 C ATOM 0 H LEU A 18 -3.386 4.646 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.964 2.682 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.639 2.662 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.229 1.301 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.006 2.511 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.609 0.629 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.402 1.695 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.901 0.135 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.652 0.331 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.943 -0.165 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.482 1.187 -0.582 1.00 0.00 H new ATOM 311 N GLU A 19 -0.554 3.047 -0.129 1.00 0.00 N ATOM 312 CA GLU A 19 0.878 3.175 0.089 1.00 0.00 C ATOM 313 C GLU A 19 1.599 1.907 -0.344 1.00 0.00 C ATOM 314 O GLU A 19 1.622 0.910 0.383 1.00 0.00 O ATOM 315 CB GLU A 19 1.174 3.472 1.560 1.00 0.00 C ATOM 316 CG GLU A 19 0.815 4.888 1.975 1.00 0.00 C ATOM 317 CD GLU A 19 1.782 5.920 1.432 1.00 0.00 C ATOM 318 OE1 GLU A 19 1.971 5.982 0.204 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.365 6.676 2.238 1.00 0.00 O ATOM 0 H GLU A 19 -1.078 2.715 0.681 1.00 0.00 H new ATOM 0 HA GLU A 19 1.241 4.007 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.622 2.768 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.234 3.303 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.191 5.120 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.797 4.950 3.063 1.00 0.00 H new ATOM 326 N TYR A 20 2.189 1.950 -1.528 1.00 0.00 N ATOM 327 CA TYR A 20 2.878 0.793 -2.073 1.00 0.00 C ATOM 328 C TYR A 20 4.242 0.632 -1.420 1.00 0.00 C ATOM 329 O TYR A 20 4.937 1.611 -1.143 1.00 0.00 O ATOM 330 CB TYR A 20 3.024 0.913 -3.598 1.00 0.00 C ATOM 331 CG TYR A 20 3.753 2.158 -4.061 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.065 3.345 -4.276 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.126 2.146 -4.282 1.00 0.00 C ATOM 334 CE1 TYR A 20 3.723 4.485 -4.693 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.792 3.284 -4.701 1.00 0.00 C ATOM 336 CZ TYR A 20 5.085 4.451 -4.906 1.00 0.00 C ATOM 337 OH TYR A 20 5.744 5.593 -5.312 1.00 0.00 O ATOM 0 H TYR A 20 2.204 2.774 -2.129 1.00 0.00 H new ATOM 0 HA TYR A 20 2.281 -0.093 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.555 0.037 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.031 0.899 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.998 3.377 -4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.681 1.233 -4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.173 5.401 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.859 3.259 -4.867 1.00 0.00 H new ATOM 0 HH TYR A 20 6.699 5.400 -5.416 1.00 0.00 H new ATOM 347 N HIS A 21 4.600 -0.606 -1.136 1.00 0.00 N ATOM 348 CA HIS A 21 5.894 -0.913 -0.549 1.00 0.00 C ATOM 349 C HIS A 21 6.510 -2.116 -1.242 1.00 0.00 C ATOM 350 O HIS A 21 5.987 -3.224 -1.144 1.00 0.00 O ATOM 351 CB HIS A 21 5.759 -1.198 0.954 1.00 0.00 C ATOM 352 CG HIS A 21 5.455 0.014 1.787 1.00 0.00 C ATOM 353 ND1 HIS A 21 4.179 0.495 1.984 1.00 0.00 N ATOM 354 CD2 HIS A 21 6.275 0.833 2.491 1.00 0.00 C ATOM 355 CE1 HIS A 21 4.225 1.554 2.772 1.00 0.00 C ATOM 356 NE2 HIS A 21 5.486 1.782 3.093 1.00 0.00 N ATOM 0 H HIS A 21 4.010 -1.421 -1.303 1.00 0.00 H new ATOM 0 HA HIS A 21 6.541 -0.046 -0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.969 -1.934 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.685 -1.647 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.350 0.754 2.565 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.375 2.135 3.099 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.819 2.539 3.690 1.00 0.00 H new ATOM 365 N GLN A 22 7.606 -1.887 -1.958 1.00 0.00 N ATOM 366 CA GLN A 22 8.355 -2.963 -2.600 1.00 0.00 C ATOM 367 C GLN A 22 8.941 -3.898 -1.542 1.00 0.00 C ATOM 368 O GLN A 22 8.764 -3.664 -0.340 1.00 0.00 O ATOM 369 CB GLN A 22 9.475 -2.399 -3.488 1.00 0.00 C ATOM 370 CG GLN A 22 8.978 -1.615 -4.699 1.00 0.00 C ATOM 371 CD GLN A 22 8.727 -0.143 -4.412 1.00 0.00 C ATOM 372 OE1 GLN A 22 8.414 0.252 -3.287 1.00 0.00 O ATOM 373 NE2 GLN A 22 8.845 0.681 -5.439 1.00 0.00 N ATOM 0 H GLN A 22 7.998 -0.958 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 22 7.670 -3.526 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.110 -1.750 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.099 -3.223 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.711 -1.700 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.055 -2.068 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.106 0.319 -6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.675 1.679 -5.314 1.00 0.00 H new ATOM 382 N ASP A 23 9.614 -4.959 -1.991 1.00 0.00 N ATOM 383 CA ASP A 23 10.176 -5.986 -1.098 1.00 0.00 C ATOM 384 C ASP A 23 9.070 -6.889 -0.551 1.00 0.00 C ATOM 385 O ASP A 23 9.218 -8.107 -0.505 1.00 0.00 O ATOM 386 CB ASP A 23 10.986 -5.352 0.042 1.00 0.00 C ATOM 387 CG ASP A 23 11.441 -6.355 1.084 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.544 -6.920 0.935 1.00 0.00 O ATOM 389 OD2 ASP A 23 10.709 -6.556 2.077 1.00 0.00 O ATOM 0 H ASP A 23 9.787 -5.135 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 23 10.860 -6.601 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.859 -4.852 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.381 -4.585 0.526 1.00 0.00 H new ATOM 394 N LYS A 24 7.962 -6.286 -0.141 1.00 0.00 N ATOM 395 CA LYS A 24 6.783 -7.034 0.255 1.00 0.00 C ATOM 396 C LYS A 24 5.759 -6.997 -0.869 1.00 0.00 C ATOM 397 O LYS A 24 4.908 -7.881 -0.982 1.00 0.00 O ATOM 398 CB LYS A 24 6.186 -6.439 1.530 1.00 0.00 C ATOM 399 CG LYS A 24 7.066 -6.592 2.764 1.00 0.00 C ATOM 400 CD LYS A 24 7.048 -8.016 3.309 1.00 0.00 C ATOM 401 CE LYS A 24 7.997 -8.940 2.559 1.00 0.00 C ATOM 402 NZ LYS A 24 9.421 -8.690 2.908 1.00 0.00 N ATOM 0 H LYS A 24 7.858 -5.273 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 24 7.063 -8.069 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.991 -5.379 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.224 -6.914 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.090 -6.312 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.727 -5.904 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.320 -8.001 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.035 -8.413 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.746 -9.976 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.859 -8.806 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.994 -9.517 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.763 -7.853 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.504 -8.525 3.931 1.00 0.00 H new ATOM 416 N GLN A 25 5.863 -5.956 -1.699 1.00 0.00 N ATOM 417 CA GLN A 25 4.967 -5.744 -2.838 1.00 0.00 C ATOM 418 C GLN A 25 3.527 -5.598 -2.368 1.00 0.00 C ATOM 419 O GLN A 25 2.586 -6.003 -3.053 1.00 0.00 O ATOM 420 CB GLN A 25 5.084 -6.882 -3.854 1.00 0.00 C ATOM 421 CG GLN A 25 6.501 -7.089 -4.369 1.00 0.00 C ATOM 422 CD GLN A 25 6.553 -7.365 -5.857 1.00 0.00 C ATOM 423 OE1 GLN A 25 6.482 -8.517 -6.296 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.692 -6.306 -6.639 1.00 0.00 N ATOM 0 H GLN A 25 6.575 -5.233 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 25 5.268 -4.820 -3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.734 -7.806 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.425 -6.675 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.096 -6.203 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.959 -7.921 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.746 -5.373 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.745 -6.423 -7.651 1.00 0.00 H new ATOM 433 N GLU A 26 3.362 -4.989 -1.205 1.00 0.00 N ATOM 434 CA GLU A 26 2.050 -4.839 -0.607 1.00 0.00 C ATOM 435 C GLU A 26 1.568 -3.394 -0.657 1.00 0.00 C ATOM 436 O GLU A 26 2.344 -2.454 -0.451 1.00 0.00 O ATOM 437 CB GLU A 26 2.086 -5.318 0.840 1.00 0.00 C ATOM 438 CG GLU A 26 2.577 -6.746 0.991 1.00 0.00 C ATOM 439 CD GLU A 26 2.604 -7.218 2.428 1.00 0.00 C ATOM 440 OE1 GLU A 26 2.698 -6.368 3.339 1.00 0.00 O ATOM 441 OE2 GLU A 26 2.545 -8.449 2.646 1.00 0.00 O ATOM 0 H GLU A 26 4.124 -4.590 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 26 1.350 -5.445 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.732 -4.657 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.086 -5.239 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.934 -7.408 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.579 -6.825 0.570 1.00 0.00 H new ATOM 448 N LEU A 27 0.287 -3.230 -0.946 1.00 0.00 N ATOM 449 CA LEU A 27 -0.371 -1.940 -0.841 1.00 0.00 C ATOM 450 C LEU A 27 -0.881 -1.769 0.578 1.00 0.00 C ATOM 451 O LEU A 27 -1.809 -2.461 0.998 1.00 0.00 O ATOM 452 CB LEU A 27 -1.541 -1.842 -1.822 1.00 0.00 C ATOM 453 CG LEU A 27 -1.160 -1.807 -3.301 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.411 -1.858 -4.164 1.00 0.00 C ATOM 455 CD2 LEU A 27 -0.345 -0.559 -3.613 1.00 0.00 C ATOM 0 H LEU A 27 -0.323 -3.985 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 27 0.344 -1.154 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.204 -2.691 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.112 -0.943 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.546 -2.679 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.128 -1.833 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.958 -2.778 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.044 -1.000 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.082 -0.551 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.934 0.328 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.565 -0.560 -3.013 1.00 0.00 H new ATOM 467 N TRP A 28 -0.280 -0.855 1.314 1.00 0.00 N ATOM 468 CA TRP A 28 -0.609 -0.697 2.715 1.00 0.00 C ATOM 469 C TRP A 28 -1.670 0.366 2.904 1.00 0.00 C ATOM 470 O TRP A 28 -1.451 1.546 2.630 1.00 0.00 O ATOM 471 CB TRP A 28 0.641 -0.367 3.530 1.00 0.00 C ATOM 472 CG TRP A 28 1.517 -1.562 3.775 1.00 0.00 C ATOM 473 CD1 TRP A 28 1.361 -2.817 3.258 1.00 0.00 C ATOM 474 CD2 TRP A 28 2.677 -1.616 4.610 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.355 -3.643 3.717 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.175 -2.930 4.549 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.343 -0.679 5.405 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.308 -3.329 5.251 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.467 -1.076 6.099 1.00 0.00 C ATOM 480 CH2 TRP A 28 4.940 -2.391 6.019 1.00 0.00 C ATOM 0 H TRP A 28 0.434 -0.215 0.967 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.012 -1.643 3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.217 0.397 3.008 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.341 0.059 4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.570 -3.115 2.586 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.465 -4.628 3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.984 0.337 5.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.675 -4.343 5.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.991 -0.360 6.715 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.822 -2.670 6.575 1.00 0.00 H new ATOM 491 N SER A 29 -2.834 -0.074 3.345 1.00 0.00 N ATOM 492 CA SER A 29 -3.929 0.821 3.644 1.00 0.00 C ATOM 493 C SER A 29 -4.027 1.002 5.152 1.00 0.00 C ATOM 494 O SER A 29 -4.760 0.278 5.829 1.00 0.00 O ATOM 495 CB SER A 29 -5.233 0.251 3.086 1.00 0.00 C ATOM 496 OG SER A 29 -5.083 -0.097 1.720 1.00 0.00 O ATOM 0 H SER A 29 -3.044 -1.059 3.505 1.00 0.00 H new ATOM 0 HA SER A 29 -3.751 1.791 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.527 -0.628 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.032 0.984 3.194 1.00 0.00 H new ATOM 0 HG SER A 29 -5.621 0.508 1.167 1.00 0.00 H new ATOM 502 N ARG A 30 -3.264 1.952 5.679 1.00 0.00 N ATOM 503 CA ARG A 30 -3.189 2.164 7.119 1.00 0.00 C ATOM 504 C ARG A 30 -4.536 2.605 7.681 1.00 0.00 C ATOM 505 O ARG A 30 -4.907 2.227 8.791 1.00 0.00 O ATOM 506 CB ARG A 30 -2.122 3.205 7.445 1.00 0.00 C ATOM 507 CG ARG A 30 -1.911 3.417 8.935 1.00 0.00 C ATOM 508 CD ARG A 30 -0.915 4.530 9.191 1.00 0.00 C ATOM 509 NE ARG A 30 -0.665 4.742 10.615 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.039 5.810 11.101 1.00 0.00 C ATOM 511 NH1 ARG A 30 0.368 6.778 10.283 1.00 0.00 N ATOM 512 NH2 ARG A 30 0.178 5.917 12.406 1.00 0.00 N ATOM 0 H ARG A 30 -2.687 2.589 5.129 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.919 1.216 7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.178 2.899 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.401 4.154 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.862 3.659 9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.554 2.493 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.025 4.294 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.287 5.454 8.749 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.988 4.032 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.200 6.702 9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.848 7.596 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.135 5.180 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.658 6.737 12.778 1.00 0.00 H new ATOM 526 N GLN A 31 -5.279 3.382 6.902 1.00 0.00 N ATOM 527 CA GLN A 31 -6.557 3.901 7.342 1.00 0.00 C ATOM 528 C GLN A 31 -7.617 2.798 7.379 1.00 0.00 C ATOM 529 O GLN A 31 -8.720 3.001 7.883 1.00 0.00 O ATOM 530 CB GLN A 31 -7.005 5.057 6.438 1.00 0.00 C ATOM 531 CG GLN A 31 -7.275 4.676 4.985 1.00 0.00 C ATOM 532 CD GLN A 31 -6.013 4.514 4.161 1.00 0.00 C ATOM 533 OE1 GLN A 31 -5.445 3.429 4.088 1.00 0.00 O ATOM 534 NE2 GLN A 31 -5.568 5.589 3.530 1.00 0.00 N ATOM 0 H GLN A 31 -5.012 3.664 5.959 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.438 4.281 8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.911 5.495 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.238 5.831 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.838 3.743 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.903 5.440 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.068 6.474 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.725 5.533 2.958 1.00 0.00 H new ATOM 543 N ALA A 32 -7.277 1.632 6.837 1.00 0.00 N ATOM 544 CA ALA A 32 -8.166 0.476 6.881 1.00 0.00 C ATOM 545 C ALA A 32 -7.522 -0.664 7.664 1.00 0.00 C ATOM 546 O ALA A 32 -8.160 -1.681 7.949 1.00 0.00 O ATOM 547 CB ALA A 32 -8.517 0.029 5.470 1.00 0.00 C ATOM 0 H ALA A 32 -6.391 1.463 6.361 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.086 0.762 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.181 -0.834 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.016 0.843 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.606 -0.242 4.937 1.00 0.00 H new ATOM 553 N LYS A 33 -6.249 -0.469 8.011 1.00 0.00 N ATOM 554 CA LYS A 33 -5.455 -1.463 8.733 1.00 0.00 C ATOM 555 C LYS A 33 -5.338 -2.763 7.941 1.00 0.00 C ATOM 556 O LYS A 33 -5.153 -3.841 8.509 1.00 0.00 O ATOM 557 CB LYS A 33 -6.050 -1.714 10.123 1.00 0.00 C ATOM 558 CG LYS A 33 -6.031 -0.477 11.009 1.00 0.00 C ATOM 559 CD LYS A 33 -6.618 -0.751 12.385 1.00 0.00 C ATOM 560 CE LYS A 33 -6.570 0.492 13.263 1.00 0.00 C ATOM 561 NZ LYS A 33 -7.153 0.249 14.607 1.00 0.00 N ATOM 0 H LYS A 33 -5.738 0.387 7.798 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.447 -1.067 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.078 -2.061 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.493 -2.513 10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.005 -0.124 11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.594 0.322 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.650 -1.087 12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.066 -1.559 12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.536 0.820 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.112 1.302 12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.100 1.121 15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.147 -0.039 14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.621 -0.506 15.085 1.00 0.00 H new ATOM 575 N LEU A 34 -5.399 -2.643 6.620 1.00 0.00 N ATOM 576 CA LEU A 34 -5.318 -3.798 5.739 1.00 0.00 C ATOM 577 C LEU A 34 -4.228 -3.598 4.689 1.00 0.00 C ATOM 578 O LEU A 34 -3.640 -2.522 4.580 1.00 0.00 O ATOM 579 CB LEU A 34 -6.659 -4.038 5.036 1.00 0.00 C ATOM 580 CG LEU A 34 -7.862 -4.263 5.956 1.00 0.00 C ATOM 581 CD1 LEU A 34 -9.142 -4.351 5.139 1.00 0.00 C ATOM 582 CD2 LEU A 34 -7.677 -5.525 6.779 1.00 0.00 C ATOM 0 H LEU A 34 -5.505 -1.752 6.135 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.073 -4.667 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.870 -3.182 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.556 -4.906 4.385 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.937 -3.415 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.989 -4.511 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.286 -3.422 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.070 -5.183 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.542 -5.667 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.577 -6.382 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.779 -5.433 7.389 1.00 0.00 H new ATOM 594 N ALA A 35 -3.985 -4.641 3.915 1.00 0.00 N ATOM 595 CA ALA A 35 -2.990 -4.610 2.856 1.00 0.00 C ATOM 596 C ALA A 35 -3.459 -5.422 1.655 1.00 0.00 C ATOM 597 O ALA A 35 -4.067 -6.482 1.814 1.00 0.00 O ATOM 598 CB ALA A 35 -1.659 -5.141 3.366 1.00 0.00 C ATOM 0 H ALA A 35 -4.471 -5.533 4.002 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.856 -3.575 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.924 -5.112 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.315 -4.523 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.784 -6.169 3.706 1.00 0.00 H new ATOM 604 N TYR A 36 -3.180 -4.917 0.462 1.00 0.00 N ATOM 605 CA TYR A 36 -3.550 -5.596 -0.775 1.00 0.00 C ATOM 606 C TYR A 36 -2.298 -6.029 -1.535 1.00 0.00 C ATOM 607 O TYR A 36 -1.286 -5.333 -1.511 1.00 0.00 O ATOM 608 CB TYR A 36 -4.397 -4.674 -1.661 1.00 0.00 C ATOM 609 CG TYR A 36 -5.793 -4.409 -1.137 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.037 -3.402 -0.211 1.00 0.00 C ATOM 611 CD2 TYR A 36 -6.870 -5.158 -1.588 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.317 -3.151 0.248 1.00 0.00 C ATOM 613 CE2 TYR A 36 -8.152 -4.914 -1.133 1.00 0.00 C ATOM 614 CZ TYR A 36 -8.370 -3.910 -0.215 1.00 0.00 C ATOM 615 OH TYR A 36 -9.650 -3.648 0.228 1.00 0.00 O ATOM 0 H TYR A 36 -2.694 -4.031 0.323 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.137 -6.478 -0.519 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.878 -3.722 -1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.473 -5.115 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.214 -2.806 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.704 -5.946 -2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.491 -2.363 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.979 -5.507 -1.495 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.265 -4.321 -0.132 1.00 0.00 H new ATOM 625 N PRO A 37 -2.351 -7.187 -2.211 1.00 0.00 N ATOM 626 CA PRO A 37 -1.219 -7.719 -2.975 1.00 0.00 C ATOM 627 C PRO A 37 -1.033 -7.035 -4.333 1.00 0.00 C ATOM 628 O PRO A 37 -1.987 -6.855 -5.094 1.00 0.00 O ATOM 629 CB PRO A 37 -1.577 -9.203 -3.176 1.00 0.00 C ATOM 630 CG PRO A 37 -2.851 -9.431 -2.424 1.00 0.00 C ATOM 631 CD PRO A 37 -3.504 -8.089 -2.275 1.00 0.00 C ATOM 0 HA PRO A 37 -0.279 -7.555 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.703 -9.433 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.783 -9.849 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.501 -10.121 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.652 -9.876 -1.449 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.155 -7.858 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.116 -8.032 -1.375 1.00 0.00 H new ATOM 639 N ILE A 38 0.203 -6.646 -4.622 1.00 0.00 N ATOM 640 CA ILE A 38 0.566 -6.091 -5.920 1.00 0.00 C ATOM 641 C ILE A 38 1.370 -7.106 -6.720 1.00 0.00 C ATOM 642 O ILE A 38 2.323 -7.694 -6.211 1.00 0.00 O ATOM 643 CB ILE A 38 1.383 -4.785 -5.754 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.440 -3.600 -5.579 1.00 0.00 C ATOM 645 CG2 ILE A 38 2.326 -4.547 -6.928 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.268 -3.190 -6.851 1.00 0.00 C ATOM 0 H ILE A 38 0.980 -6.706 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.353 -5.858 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 38 2.000 -4.891 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.305 -3.849 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.007 -2.750 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.878 -3.621 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.027 -5.378 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.748 -4.471 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.921 -2.341 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.469 -2.908 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.863 -4.025 -7.221 1.00 0.00 H new ATOM 658 N LYS A 39 0.982 -7.320 -7.968 1.00 0.00 N ATOM 659 CA LYS A 39 1.716 -8.224 -8.830 1.00 0.00 C ATOM 660 C LYS A 39 2.331 -7.445 -9.987 1.00 0.00 C ATOM 661 O LYS A 39 2.004 -7.666 -11.153 1.00 0.00 O ATOM 662 CB LYS A 39 0.816 -9.355 -9.341 1.00 0.00 C ATOM 663 CG LYS A 39 1.599 -10.535 -9.891 1.00 0.00 C ATOM 664 CD LYS A 39 2.557 -11.086 -8.848 1.00 0.00 C ATOM 665 CE LYS A 39 3.425 -12.200 -9.409 1.00 0.00 C ATOM 666 NZ LYS A 39 4.416 -12.670 -8.410 1.00 0.00 N ATOM 0 H LYS A 39 0.169 -6.882 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 39 2.517 -8.685 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.176 -9.698 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.160 -8.966 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.910 -11.318 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.157 -10.226 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.193 -10.282 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.990 -11.461 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.795 -13.034 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.944 -11.845 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.993 -13.430 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.032 -11.879 -8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.919 -13.031 -7.571 1.00 0.00 H new ATOM 680 N ASP A 40 3.198 -6.505 -9.618 1.00 0.00 N ATOM 681 CA ASP A 40 3.923 -5.651 -10.564 1.00 0.00 C ATOM 682 C ASP A 40 3.000 -5.044 -11.617 1.00 0.00 C ATOM 683 O ASP A 40 3.100 -5.351 -12.806 1.00 0.00 O ATOM 684 CB ASP A 40 5.066 -6.421 -11.233 1.00 0.00 C ATOM 685 CG ASP A 40 6.120 -6.867 -10.240 1.00 0.00 C ATOM 686 OD1 ASP A 40 6.746 -5.995 -9.597 1.00 0.00 O ATOM 687 OD2 ASP A 40 6.333 -8.087 -10.103 1.00 0.00 O ATOM 0 H ASP A 40 3.422 -6.310 -8.642 1.00 0.00 H new ATOM 0 HA ASP A 40 4.346 -4.828 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.661 -7.294 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.529 -5.791 -11.992 1.00 0.00 H new ATOM 692 N GLY A 41 2.090 -4.191 -11.169 1.00 0.00 N ATOM 693 CA GLY A 41 1.209 -3.498 -12.090 1.00 0.00 C ATOM 694 C GLY A 41 -0.208 -4.019 -12.026 1.00 0.00 C ATOM 695 O GLY A 41 -1.138 -3.387 -12.531 1.00 0.00 O ATOM 0 H GLY A 41 1.945 -3.966 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.213 -2.432 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.589 -3.608 -13.106 1.00 0.00 H new ATOM 699 N ILE A 42 -0.365 -5.179 -11.411 1.00 0.00 N ATOM 700 CA ILE A 42 -1.672 -5.787 -11.232 1.00 0.00 C ATOM 701 C ILE A 42 -2.067 -5.770 -9.756 1.00 0.00 C ATOM 702 O ILE A 42 -1.714 -6.681 -9.005 1.00 0.00 O ATOM 703 CB ILE A 42 -1.711 -7.238 -11.764 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.309 -7.283 -13.244 1.00 0.00 C ATOM 705 CG2 ILE A 42 -3.097 -7.842 -11.572 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.225 -6.487 -14.152 1.00 0.00 C ATOM 0 H ILE A 42 0.406 -5.723 -11.024 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.385 -5.198 -11.809 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.994 -7.829 -11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.292 -6.903 -13.346 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.297 -8.321 -13.576 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.105 -8.863 -11.952 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.347 -7.848 -10.511 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.832 -7.247 -12.115 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.876 -6.567 -15.182 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.239 -6.880 -14.081 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.219 -5.440 -13.848 1.00 0.00 H new ATOM 718 N PRO A 43 -2.722 -4.686 -9.303 1.00 0.00 N ATOM 719 CA PRO A 43 -3.202 -4.565 -7.924 1.00 0.00 C ATOM 720 C PRO A 43 -4.371 -5.506 -7.656 1.00 0.00 C ATOM 721 O PRO A 43 -5.479 -5.292 -8.153 1.00 0.00 O ATOM 722 CB PRO A 43 -3.667 -3.102 -7.812 1.00 0.00 C ATOM 723 CG PRO A 43 -3.168 -2.428 -9.047 1.00 0.00 C ATOM 724 CD PRO A 43 -3.065 -3.498 -10.093 1.00 0.00 C ATOM 0 HA PRO A 43 -2.429 -4.826 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.753 -3.040 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.263 -2.629 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.850 -1.639 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.199 -1.960 -8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.002 -3.628 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.299 -3.269 -10.834 1.00 0.00 H new ATOM 732 N TYR A 44 -4.129 -6.546 -6.878 1.00 0.00 N ATOM 733 CA TYR A 44 -5.164 -7.515 -6.572 1.00 0.00 C ATOM 734 C TYR A 44 -6.019 -7.030 -5.420 1.00 0.00 C ATOM 735 O TYR A 44 -5.868 -7.459 -4.276 1.00 0.00 O ATOM 736 CB TYR A 44 -4.575 -8.895 -6.273 1.00 0.00 C ATOM 737 CG TYR A 44 -4.231 -9.671 -7.519 1.00 0.00 C ATOM 738 CD1 TYR A 44 -5.236 -10.157 -8.344 1.00 0.00 C ATOM 739 CD2 TYR A 44 -2.913 -9.908 -7.880 1.00 0.00 C ATOM 740 CE1 TYR A 44 -4.939 -10.860 -9.492 1.00 0.00 C ATOM 741 CE2 TYR A 44 -2.607 -10.611 -9.034 1.00 0.00 C ATOM 742 CZ TYR A 44 -3.625 -11.086 -9.834 1.00 0.00 C ATOM 743 OH TYR A 44 -3.333 -11.783 -10.986 1.00 0.00 O ATOM 0 H TYR A 44 -3.225 -6.740 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.796 -7.617 -7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.678 -8.777 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.288 -9.468 -5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.269 -9.981 -8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.114 -9.540 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.734 -11.232 -10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.577 -10.786 -9.306 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.361 -11.857 -11.086 1.00 0.00 H new ATOM 753 N MET A 45 -6.894 -6.093 -5.740 1.00 0.00 N ATOM 754 CA MET A 45 -7.838 -5.547 -4.777 1.00 0.00 C ATOM 755 C MET A 45 -8.961 -6.541 -4.493 1.00 0.00 C ATOM 756 O MET A 45 -10.129 -6.296 -4.793 1.00 0.00 O ATOM 757 CB MET A 45 -8.412 -4.214 -5.278 1.00 0.00 C ATOM 758 CG MET A 45 -9.066 -4.295 -6.651 1.00 0.00 C ATOM 759 SD MET A 45 -9.805 -2.735 -7.163 1.00 0.00 S ATOM 760 CE MET A 45 -8.363 -1.670 -7.182 1.00 0.00 C ATOM 0 H MET A 45 -6.971 -5.689 -6.673 1.00 0.00 H new ATOM 0 HA MET A 45 -7.303 -5.363 -3.845 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.147 -3.854 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.611 -3.476 -5.312 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.321 -4.598 -7.386 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.834 -5.069 -6.638 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.571 -0.787 -7.786 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.122 -1.365 -6.164 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.518 -2.210 -7.609 1.00 0.00 H new ATOM 770 N LEU A 46 -8.593 -7.677 -3.927 1.00 0.00 N ATOM 771 CA LEU A 46 -9.548 -8.694 -3.565 1.00 0.00 C ATOM 772 C LEU A 46 -9.754 -8.668 -2.064 1.00 0.00 C ATOM 773 O LEU A 46 -8.789 -8.680 -1.304 1.00 0.00 O ATOM 774 CB LEU A 46 -9.046 -10.065 -4.012 1.00 0.00 C ATOM 775 CG LEU A 46 -8.830 -10.217 -5.521 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.294 -11.602 -5.844 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.127 -9.957 -6.275 1.00 0.00 C ATOM 0 H LEU A 46 -7.625 -7.914 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.499 -8.499 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.105 -10.274 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.760 -10.821 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.094 -9.479 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.146 -11.693 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.343 -11.752 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.008 -12.355 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.954 -10.069 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.885 -10.671 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.472 -8.944 -6.068 1.00 0.00 H new ATOM 789 N GLU A 47 -11.005 -8.629 -1.644 1.00 0.00 N ATOM 790 CA GLU A 47 -11.338 -8.504 -0.233 1.00 0.00 C ATOM 791 C GLU A 47 -10.883 -9.734 0.543 1.00 0.00 C ATOM 792 O GLU A 47 -10.464 -9.637 1.695 1.00 0.00 O ATOM 793 CB GLU A 47 -12.842 -8.299 -0.075 1.00 0.00 C ATOM 794 CG GLU A 47 -13.361 -7.062 -0.787 1.00 0.00 C ATOM 795 CD GLU A 47 -12.745 -5.774 -0.267 1.00 0.00 C ATOM 796 OE1 GLU A 47 -11.610 -5.442 -0.672 1.00 0.00 O ATOM 797 OE2 GLU A 47 -13.407 -5.077 0.535 1.00 0.00 O ATOM 0 H GLU A 47 -11.814 -8.682 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.815 -7.638 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.363 -9.176 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.082 -8.226 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.156 -7.151 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.444 -7.012 -0.673 1.00 0.00 H new ATOM 804 N ASN A 48 -10.960 -10.890 -0.101 1.00 0.00 N ATOM 805 CA ASN A 48 -10.526 -12.139 0.517 1.00 0.00 C ATOM 806 C ASN A 48 -9.007 -12.184 0.642 1.00 0.00 C ATOM 807 O ASN A 48 -8.465 -12.662 1.641 1.00 0.00 O ATOM 808 CB ASN A 48 -11.027 -13.343 -0.290 1.00 0.00 C ATOM 809 CG ASN A 48 -10.682 -14.671 0.365 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.619 -15.241 0.125 1.00 0.00 O ATOM 811 ND2 ASN A 48 -11.585 -15.180 1.189 1.00 0.00 N ATOM 0 H ASN A 48 -11.318 -10.991 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.955 -12.186 1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.108 -13.271 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.593 -13.312 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.410 -16.074 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.456 -14.679 1.364 1.00 0.00 H new ATOM 818 N GLU A 49 -8.330 -11.653 -0.363 1.00 0.00 N ATOM 819 CA GLU A 49 -6.873 -11.637 -0.384 1.00 0.00 C ATOM 820 C GLU A 49 -6.320 -10.543 0.517 1.00 0.00 C ATOM 821 O GLU A 49 -5.220 -10.676 1.050 1.00 0.00 O ATOM 822 CB GLU A 49 -6.356 -11.446 -1.807 1.00 0.00 C ATOM 823 CG GLU A 49 -6.551 -12.666 -2.689 1.00 0.00 C ATOM 824 CD GLU A 49 -5.814 -13.879 -2.162 1.00 0.00 C ATOM 825 OE1 GLU A 49 -4.581 -13.795 -1.977 1.00 0.00 O ATOM 826 OE2 GLU A 49 -6.465 -14.921 -1.935 1.00 0.00 O ATOM 0 H GLU A 49 -8.767 -11.225 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.529 -12.600 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.865 -10.595 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.295 -11.200 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.615 -12.893 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.203 -12.442 -3.697 1.00 0.00 H new ATOM 833 N ALA A 50 -7.070 -9.454 0.654 1.00 0.00 N ATOM 834 CA ALA A 50 -6.691 -8.380 1.560 1.00 0.00 C ATOM 835 C ALA A 50 -6.440 -8.923 2.962 1.00 0.00 C ATOM 836 O ALA A 50 -7.309 -9.558 3.566 1.00 0.00 O ATOM 837 CB ALA A 50 -7.770 -7.311 1.596 1.00 0.00 C ATOM 0 H ALA A 50 -7.942 -9.294 0.149 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.768 -7.932 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.471 -6.515 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.908 -6.899 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.706 -7.751 1.940 1.00 0.00 H new ATOM 843 N ARG A 51 -5.248 -8.669 3.470 1.00 0.00 N ATOM 844 CA ARG A 51 -4.844 -9.169 4.763 1.00 0.00 C ATOM 845 C ARG A 51 -4.629 -8.015 5.732 1.00 0.00 C ATOM 846 O ARG A 51 -4.213 -6.934 5.325 1.00 0.00 O ATOM 847 CB ARG A 51 -3.566 -9.997 4.615 1.00 0.00 C ATOM 848 CG ARG A 51 -2.453 -9.284 3.860 1.00 0.00 C ATOM 849 CD ARG A 51 -1.216 -10.160 3.720 1.00 0.00 C ATOM 850 NE ARG A 51 -0.656 -10.534 5.019 1.00 0.00 N ATOM 851 CZ ARG A 51 0.382 -9.918 5.586 1.00 0.00 C ATOM 852 NH1 ARG A 51 1.004 -8.932 4.950 1.00 0.00 N ATOM 853 NH2 ARG A 51 0.815 -10.312 6.777 1.00 0.00 N ATOM 0 H ARG A 51 -4.537 -8.111 2.996 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.632 -9.806 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.203 -10.268 5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.805 -10.926 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.810 -8.998 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.190 -8.364 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.472 -11.061 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.461 -9.630 3.139 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.085 -11.312 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.688 -8.643 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.798 -8.464 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.354 -11.085 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.609 -9.842 7.212 1.00 0.00 H new ATOM 867 N PRO A 52 -4.938 -8.217 7.019 1.00 0.00 N ATOM 868 CA PRO A 52 -4.758 -7.188 8.044 1.00 0.00 C ATOM 869 C PRO A 52 -3.286 -6.908 8.319 1.00 0.00 C ATOM 870 O PRO A 52 -2.448 -7.809 8.244 1.00 0.00 O ATOM 871 CB PRO A 52 -5.425 -7.787 9.291 1.00 0.00 C ATOM 872 CG PRO A 52 -6.208 -8.962 8.805 1.00 0.00 C ATOM 873 CD PRO A 52 -5.497 -9.452 7.579 1.00 0.00 C ATOM 0 HA PRO A 52 -5.187 -6.234 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.680 -8.090 10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.074 -7.058 9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.256 -9.741 9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.235 -8.678 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.719 -10.175 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.179 -9.941 6.883 1.00 0.00 H new ATOM 881 N LEU A 53 -2.976 -5.660 8.640 1.00 0.00 N ATOM 882 CA LEU A 53 -1.617 -5.271 8.950 1.00 0.00 C ATOM 883 C LEU A 53 -1.343 -5.454 10.420 1.00 0.00 C ATOM 884 O LEU A 53 -2.188 -5.154 11.266 1.00 0.00 O ATOM 885 CB LEU A 53 -1.367 -3.816 8.576 1.00 0.00 C ATOM 886 CG LEU A 53 -1.010 -3.566 7.116 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.959 -2.077 6.825 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.321 -4.215 6.773 1.00 0.00 C ATOM 0 H LEU A 53 -3.654 -4.900 8.691 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.949 -5.907 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.259 -3.238 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.560 -3.432 9.200 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.785 -4.014 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.702 -1.920 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.933 -1.632 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.205 -1.608 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.559 -4.026 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.104 -3.796 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.256 -5.290 6.942 1.00 0.00 H new ATOM 900 N SER A 54 -0.163 -5.934 10.722 1.00 0.00 N ATOM 901 CA SER A 54 0.236 -6.109 12.096 1.00 0.00 C ATOM 902 C SER A 54 0.868 -4.828 12.623 1.00 0.00 C ATOM 903 O SER A 54 1.192 -3.926 11.849 1.00 0.00 O ATOM 904 CB SER A 54 1.195 -7.289 12.222 1.00 0.00 C ATOM 905 OG SER A 54 2.165 -7.266 11.190 1.00 0.00 O ATOM 0 H SER A 54 0.538 -6.211 10.035 1.00 0.00 H new ATOM 0 HA SER A 54 -0.646 -6.327 12.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.690 -7.258 13.192 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.635 -8.223 12.180 1.00 0.00 H new ATOM 0 HG SER A 54 2.770 -8.031 11.292 1.00 0.00 H new ATOM 911 N GLU A 55 1.045 -4.763 13.932 1.00 0.00 N ATOM 912 CA GLU A 55 1.541 -3.584 14.610 1.00 0.00 C ATOM 913 C GLU A 55 2.895 -3.153 14.074 1.00 0.00 C ATOM 914 O GLU A 55 3.100 -1.995 13.725 1.00 0.00 O ATOM 915 CB GLU A 55 1.671 -3.913 16.086 1.00 0.00 C ATOM 916 CG GLU A 55 0.368 -4.319 16.754 1.00 0.00 C ATOM 917 CD GLU A 55 -0.673 -3.222 16.756 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.661 -2.393 17.690 1.00 0.00 O ATOM 919 OE2 GLU A 55 -1.524 -3.200 15.842 1.00 0.00 O ATOM 0 H GLU A 55 0.844 -5.541 14.560 1.00 0.00 H new ATOM 0 HA GLU A 55 0.844 -2.763 14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.393 -4.721 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.077 -3.045 16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.037 -5.193 16.243 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.573 -4.617 17.782 1.00 0.00 H new ATOM 926 N GLU A 56 3.817 -4.097 14.055 1.00 0.00 N ATOM 927 CA GLU A 56 5.149 -3.887 13.542 1.00 0.00 C ATOM 928 C GLU A 56 5.109 -3.291 12.144 1.00 0.00 C ATOM 929 O GLU A 56 5.786 -2.308 11.860 1.00 0.00 O ATOM 930 CB GLU A 56 5.863 -5.227 13.530 1.00 0.00 C ATOM 931 CG GLU A 56 7.343 -5.120 13.291 1.00 0.00 C ATOM 932 CD GLU A 56 8.047 -6.455 13.391 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.997 -7.236 12.418 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.642 -6.737 14.453 1.00 0.00 O ATOM 0 H GLU A 56 3.655 -5.043 14.401 1.00 0.00 H new ATOM 0 HA GLU A 56 5.682 -3.180 14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.693 -5.728 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.423 -5.856 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.518 -4.695 12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.775 -4.430 14.016 1.00 0.00 H new ATOM 941 N GLU A 57 4.316 -3.897 11.279 1.00 0.00 N ATOM 942 CA GLU A 57 4.119 -3.397 9.933 1.00 0.00 C ATOM 943 C GLU A 57 3.553 -1.982 9.941 1.00 0.00 C ATOM 944 O GLU A 57 4.100 -1.087 9.300 1.00 0.00 O ATOM 945 CB GLU A 57 3.195 -4.337 9.200 1.00 0.00 C ATOM 946 CG GLU A 57 3.775 -5.730 9.067 1.00 0.00 C ATOM 947 CD GLU A 57 5.037 -5.774 8.227 1.00 0.00 C ATOM 948 OE1 GLU A 57 6.111 -5.390 8.735 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.969 -6.213 7.063 1.00 0.00 O ATOM 0 H GLU A 57 3.793 -4.747 11.490 1.00 0.00 H new ATOM 0 HA GLU A 57 5.082 -3.352 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.243 -4.392 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.987 -3.937 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.994 -6.122 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.027 -6.387 8.623 1.00 0.00 H new ATOM 956 N LEU A 58 2.454 -1.802 10.664 1.00 0.00 N ATOM 957 CA LEU A 58 1.851 -0.485 10.872 1.00 0.00 C ATOM 958 C LEU A 58 2.894 0.565 11.258 1.00 0.00 C ATOM 959 O LEU A 58 2.937 1.655 10.688 1.00 0.00 O ATOM 960 CB LEU A 58 0.800 -0.580 11.973 1.00 0.00 C ATOM 961 CG LEU A 58 -0.427 -1.412 11.628 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.331 -1.550 12.839 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.182 -0.786 10.468 1.00 0.00 C ATOM 0 H LEU A 58 1.954 -2.563 11.124 1.00 0.00 H new ATOM 0 HA LEU A 58 1.394 -0.174 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.267 -1.002 12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.475 0.428 12.231 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.098 -2.407 11.329 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.204 -2.148 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.786 -2.040 13.646 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.654 -0.562 13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.057 -1.393 10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.501 0.220 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.531 -0.735 9.595 1.00 0.00 H new ATOM 975 N LYS A 59 3.735 0.230 12.224 1.00 0.00 N ATOM 976 CA LYS A 59 4.719 1.162 12.735 1.00 0.00 C ATOM 977 C LYS A 59 5.963 1.250 11.851 1.00 0.00 C ATOM 978 O LYS A 59 6.794 2.140 12.027 1.00 0.00 O ATOM 979 CB LYS A 59 5.102 0.755 14.151 1.00 0.00 C ATOM 980 CG LYS A 59 4.602 1.718 15.208 1.00 0.00 C ATOM 981 CD LYS A 59 5.159 3.114 14.988 1.00 0.00 C ATOM 982 CE LYS A 59 4.557 4.124 15.951 1.00 0.00 C ATOM 983 NZ LYS A 59 5.048 5.501 15.682 1.00 0.00 N ATOM 0 H LYS A 59 3.753 -0.687 12.670 1.00 0.00 H new ATOM 0 HA LYS A 59 4.270 2.155 12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.703 -0.238 14.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.187 0.683 14.220 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.513 1.751 15.187 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.891 1.360 16.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.242 3.096 15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.960 3.427 13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.470 4.103 15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.804 3.843 16.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.616 6.162 16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.083 5.527 15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.790 5.779 14.714 1.00 0.00 H new ATOM 997 N ALA A 60 6.095 0.339 10.903 1.00 0.00 N ATOM 998 CA ALA A 60 7.251 0.330 10.015 1.00 0.00 C ATOM 999 C ALA A 60 6.841 0.593 8.570 1.00 0.00 C ATOM 1000 O ALA A 60 7.324 -0.060 7.642 1.00 0.00 O ATOM 1001 CB ALA A 60 8.003 -0.988 10.125 1.00 0.00 C ATOM 0 H ALA A 60 5.419 -0.404 10.726 1.00 0.00 H new ATOM 0 HA ALA A 60 7.916 1.135 10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.862 -0.974 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.346 -1.127 11.150 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.341 -1.809 9.849 1.00 0.00 H new ATOM 1007 N LEU A 61 5.973 1.578 8.379 1.00 0.00 N ATOM 1008 CA LEU A 61 5.534 1.964 7.042 1.00 0.00 C ATOM 1009 C LEU A 61 6.527 2.916 6.392 1.00 0.00 C ATOM 1010 O LEU A 61 6.303 3.434 5.293 1.00 0.00 O ATOM 1011 CB LEU A 61 4.135 2.588 7.107 1.00 0.00 C ATOM 1012 CG LEU A 61 3.933 3.696 8.153 1.00 0.00 C ATOM 1013 CD1 LEU A 61 4.622 4.992 7.746 1.00 0.00 C ATOM 1014 CD2 LEU A 61 2.451 3.938 8.375 1.00 0.00 C ATOM 0 H LEU A 61 5.558 2.125 9.133 1.00 0.00 H new ATOM 0 HA LEU A 61 5.486 1.068 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.896 2.997 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.415 1.794 7.306 1.00 0.00 H new ATOM 0 HG LEU A 61 4.389 3.360 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.455 5.749 8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.692 4.816 7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.213 5.339 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.318 4.725 9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.988 4.243 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.982 3.021 8.730 1.00 0.00 H new ATOM 1026 N GLU A 62 7.630 3.091 7.084 1.00 0.00 N ATOM 1027 CA GLU A 62 8.680 4.027 6.704 1.00 0.00 C ATOM 1028 C GLU A 62 9.431 3.523 5.472 1.00 0.00 C ATOM 1029 O GLU A 62 9.314 2.356 5.096 1.00 0.00 O ATOM 1030 CB GLU A 62 9.630 4.215 7.891 1.00 0.00 C ATOM 1031 CG GLU A 62 9.953 5.668 8.201 1.00 0.00 C ATOM 1032 CD GLU A 62 11.148 6.176 7.431 1.00 0.00 C ATOM 1033 OE1 GLU A 62 10.993 6.539 6.248 1.00 0.00 O ATOM 1034 OE2 GLU A 62 12.256 6.207 8.008 1.00 0.00 O ATOM 0 H GLU A 62 7.832 2.580 7.944 1.00 0.00 H new ATOM 0 HA GLU A 62 8.237 4.989 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.186 3.756 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.559 3.682 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.086 6.286 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.142 5.774 9.269 1.00 0.00 H new ATOM 1041 N HIS A 63 10.202 4.402 4.845 1.00 0.00 N ATOM 1042 CA HIS A 63 10.897 4.060 3.608 1.00 0.00 C ATOM 1043 C HIS A 63 12.220 3.357 3.896 1.00 0.00 C ATOM 1044 O HIS A 63 12.757 2.647 3.043 1.00 0.00 O ATOM 1045 CB HIS A 63 11.142 5.316 2.766 1.00 0.00 C ATOM 1046 CG HIS A 63 11.739 5.033 1.417 1.00 0.00 C ATOM 1047 ND1 HIS A 63 13.043 5.334 1.087 1.00 0.00 N ATOM 1048 CD2 HIS A 63 11.198 4.469 0.311 1.00 0.00 C ATOM 1049 CE1 HIS A 63 13.276 4.966 -0.159 1.00 0.00 C ATOM 1050 NE2 HIS A 63 12.173 4.437 -0.652 1.00 0.00 N ATOM 0 H HIS A 63 10.363 5.355 5.171 1.00 0.00 H new ATOM 0 HA HIS A 63 10.261 3.375 3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.197 5.842 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.805 5.986 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.185 4.110 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.212 5.079 -0.686 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.063 4.065 -1.595 1.00 0.00 H new ATOM 1059 N HIS A 64 12.734 3.541 5.100 1.00 0.00 N ATOM 1060 CA HIS A 64 14.010 2.948 5.486 1.00 0.00 C ATOM 1061 C HIS A 64 13.845 1.468 5.833 1.00 0.00 C ATOM 1062 O HIS A 64 14.246 1.022 6.901 1.00 0.00 O ATOM 1063 CB HIS A 64 14.619 3.702 6.670 1.00 0.00 C ATOM 1064 CG HIS A 64 15.124 5.068 6.320 1.00 0.00 C ATOM 1065 ND1 HIS A 64 14.450 6.224 6.640 1.00 0.00 N ATOM 1066 CD2 HIS A 64 16.253 5.458 5.685 1.00 0.00 C ATOM 1067 CE1 HIS A 64 15.137 7.265 6.214 1.00 0.00 C ATOM 1068 NE2 HIS A 64 16.236 6.828 5.634 1.00 0.00 N ATOM 0 H HIS A 64 12.289 4.097 5.831 1.00 0.00 H new ATOM 0 HA HIS A 64 14.686 3.027 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 64 13.869 3.792 7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 64 15.441 3.115 7.079 1.00 0.00 H new ATOM 0 HD1 HIS A 64 13.557 6.268 7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 64 17.023 4.811 5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.848 8.300 6.322 1.00 0.00 H new ATOM 1077 N HIS A 65 13.264 0.710 4.909 1.00 0.00 N ATOM 1078 CA HIS A 65 13.041 -0.721 5.107 1.00 0.00 C ATOM 1079 C HIS A 65 14.365 -1.481 5.079 1.00 0.00 C ATOM 1080 O HIS A 65 14.484 -2.559 5.651 1.00 0.00 O ATOM 1081 CB HIS A 65 12.090 -1.258 4.029 1.00 0.00 C ATOM 1082 CG HIS A 65 11.737 -2.714 4.174 1.00 0.00 C ATOM 1083 ND1 HIS A 65 10.763 -3.175 5.032 1.00 0.00 N ATOM 1084 CD2 HIS A 65 12.220 -3.810 3.541 1.00 0.00 C ATOM 1085 CE1 HIS A 65 10.665 -4.486 4.921 1.00 0.00 C ATOM 1086 NE2 HIS A 65 11.534 -4.901 4.020 1.00 0.00 N ATOM 0 H HIS A 65 12.937 1.064 4.010 1.00 0.00 H new ATOM 0 HA HIS A 65 12.584 -0.871 6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.172 -0.671 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.546 -1.104 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 65 13.002 -3.824 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.985 -5.115 5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.674 -5.868 3.728 1.00 0.00 H new ATOM 1095 N HIS A 66 15.354 -0.913 4.402 1.00 0.00 N ATOM 1096 CA HIS A 66 16.681 -1.517 4.348 1.00 0.00 C ATOM 1097 C HIS A 66 17.749 -0.457 4.596 1.00 0.00 C ATOM 1098 O HIS A 66 18.933 -0.691 4.369 1.00 0.00 O ATOM 1099 CB HIS A 66 16.912 -2.215 2.992 1.00 0.00 C ATOM 1100 CG HIS A 66 17.212 -1.296 1.835 1.00 0.00 C ATOM 1101 ND1 HIS A 66 18.266 -1.502 0.974 1.00 0.00 N ATOM 1102 CD2 HIS A 66 16.587 -0.178 1.392 1.00 0.00 C ATOM 1103 CE1 HIS A 66 18.279 -0.555 0.059 1.00 0.00 C ATOM 1104 NE2 HIS A 66 17.271 0.266 0.288 1.00 0.00 N ATOM 0 H HIS A 66 15.265 -0.039 3.884 1.00 0.00 H new ATOM 0 HA HIS A 66 16.749 -2.273 5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.739 -2.917 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 66 16.026 -2.801 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 66 15.711 0.280 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 66 18.995 -0.465 -0.745 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.039 1.092 -0.263 1.00 0.00 H new ATOM 1113 N HIS A 67 17.300 0.698 5.091 1.00 0.00 N ATOM 1114 CA HIS A 67 18.147 1.882 5.251 1.00 0.00 C ATOM 1115 C HIS A 67 18.709 2.338 3.903 1.00 0.00 C ATOM 1116 O HIS A 67 18.154 3.235 3.272 1.00 0.00 O ATOM 1117 CB HIS A 67 19.283 1.628 6.255 1.00 0.00 C ATOM 1118 CG HIS A 67 20.221 2.789 6.411 1.00 0.00 C ATOM 1119 ND1 HIS A 67 21.552 2.727 6.060 1.00 0.00 N ATOM 1120 CD2 HIS A 67 20.018 4.043 6.881 1.00 0.00 C ATOM 1121 CE1 HIS A 67 22.124 3.890 6.306 1.00 0.00 C ATOM 1122 NE2 HIS A 67 21.216 4.709 6.802 1.00 0.00 N ATOM 0 H HIS A 67 16.336 0.839 5.393 1.00 0.00 H new ATOM 0 HA HIS A 67 17.522 2.681 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.851 1.389 7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 67 19.851 0.754 5.935 1.00 0.00 H new ATOM 0 HD2 HIS A 67 19.086 4.445 7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 67 23.162 4.131 6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 67 21.377 5.677 7.081 1.00 0.00 H new ATOM 1131 N HIS A 68 19.783 1.698 3.461 1.00 0.00 N ATOM 1132 CA HIS A 68 20.456 2.065 2.226 1.00 0.00 C ATOM 1133 C HIS A 68 21.435 0.967 1.839 1.00 0.00 C ATOM 1134 O HIS A 68 21.072 0.116 1.012 1.00 0.00 O ATOM 1135 CB HIS A 68 21.193 3.400 2.391 1.00 0.00 C ATOM 1136 CG HIS A 68 21.924 3.846 1.161 1.00 0.00 C ATOM 1137 ND1 HIS A 68 21.321 4.556 0.146 1.00 0.00 N ATOM 1138 CD2 HIS A 68 23.215 3.679 0.784 1.00 0.00 C ATOM 1139 CE1 HIS A 68 22.204 4.804 -0.800 1.00 0.00 C ATOM 1140 NE2 HIS A 68 23.361 4.284 -0.437 1.00 0.00 N ATOM 1141 OXT HIS A 68 22.554 0.951 2.391 1.00 0.00 O ATOM 0 H HIS A 68 20.211 0.911 3.949 1.00 0.00 H new ATOM 0 HA HIS A 68 19.713 2.182 1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.473 4.169 2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.904 3.312 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.984 3.165 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.013 5.342 -1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.225 4.326 -0.978 1.00 0.00 H new TER 1150 HIS A 68