USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 842 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 59 LYS NZ :NH3+ 135:sc= 1.23 (180deg=-1.98) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= -0.712 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 33 HIS : no HD1:sc= -6.27! C(o=-14!,f=-18!) USER MOD Set 3.2: A 36 MET CE :methyl 145:sc= -7.6! (180deg=-2.03!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.0288 (180deg=-0.0197) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.365) USER MOD Single : A 7 HIS : no HE2:sc= 0.0308 K(o=0.031,f=-4.7!) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0217) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.0251 (180deg=-0.262) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -133:sc=-0.00482 (180deg=-0.866) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.0568 (180deg=-0.172) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -4.02 K(o=-4,f=-12!) USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -5:sc= 0.369! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -2.2 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.131) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.0115 (180deg=-0.00013) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.639) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.029) USER MOD Single : A 87 GLN : amide:sc= 0.515 K(o=0.52,f=-0.13) USER MOD Single : A 88 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.166 14.341 -0.969 1.00 0.00 N ATOM 2 CA MET A 1 -21.094 15.001 -0.015 1.00 0.00 C ATOM 3 C MET A 1 -20.685 14.732 1.430 1.00 0.00 C ATOM 4 O MET A 1 -20.818 15.598 2.295 1.00 0.00 O ATOM 5 CB MET A 1 -22.509 14.477 -0.270 1.00 0.00 C ATOM 6 CG MET A 1 -23.254 15.239 -1.354 1.00 0.00 C ATOM 7 SD MET A 1 -22.860 14.652 -3.012 1.00 0.00 S ATOM 8 CE MET A 1 -22.561 16.202 -3.860 1.00 0.00 C ATOM 0 H1 MET A 1 -20.397 14.637 -1.939 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.188 14.615 -0.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.263 13.309 -0.890 1.00 0.00 H new ATOM 0 HA MET A 1 -21.058 16.079 -0.170 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.453 13.425 -0.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.080 14.530 0.657 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.327 15.146 -1.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.010 16.299 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.305 16.004 -4.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.459 16.819 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.737 16.728 -3.377 1.00 0.00 H new ATOM 20 N LYS A 2 -20.187 13.526 1.683 1.00 0.00 N ATOM 21 CA LYS A 2 -19.757 13.141 3.021 1.00 0.00 C ATOM 22 C LYS A 2 -18.596 12.155 2.956 1.00 0.00 C ATOM 23 O LYS A 2 -18.522 11.213 3.745 1.00 0.00 O ATOM 24 CB LYS A 2 -20.923 12.524 3.797 1.00 0.00 C ATOM 25 CG LYS A 2 -20.886 12.818 5.288 1.00 0.00 C ATOM 26 CD LYS A 2 -22.280 12.805 5.896 1.00 0.00 C ATOM 27 CE LYS A 2 -22.779 14.213 6.178 1.00 0.00 C ATOM 28 NZ LYS A 2 -24.205 14.386 5.784 1.00 0.00 N ATOM 0 H LYS A 2 -20.071 12.798 0.978 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.420 14.038 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.861 12.897 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.917 11.444 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.263 12.078 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.424 13.791 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.969 12.303 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.269 12.230 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.667 14.432 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.163 14.932 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.507 15.359 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.309 14.202 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -24.796 13.718 6.319 1.00 0.00 H new ATOM 42 N LYS A 3 -17.686 12.381 2.012 1.00 0.00 N ATOM 43 CA LYS A 3 -16.525 11.514 1.844 1.00 0.00 C ATOM 44 C LYS A 3 -15.374 12.269 1.186 1.00 0.00 C ATOM 45 O LYS A 3 -15.381 12.498 -0.024 1.00 0.00 O ATOM 46 CB LYS A 3 -16.897 10.287 1.006 1.00 0.00 C ATOM 47 CG LYS A 3 -16.559 8.967 1.679 1.00 0.00 C ATOM 48 CD LYS A 3 -15.224 8.421 1.195 1.00 0.00 C ATOM 49 CE LYS A 3 -14.759 7.250 2.046 1.00 0.00 C ATOM 50 NZ LYS A 3 -14.099 6.197 1.228 1.00 0.00 N ATOM 0 H LYS A 3 -17.731 13.157 1.352 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.200 11.185 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.966 10.313 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.379 10.340 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.526 9.106 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.346 8.241 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.315 8.104 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.475 9.212 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.065 7.607 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.613 6.821 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.797 5.416 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.769 5.838 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.269 6.600 0.748 1.00 0.00 H new ATOM 64 N LEU A 4 -14.389 12.654 1.990 1.00 0.00 N ATOM 65 CA LEU A 4 -13.232 13.386 1.485 1.00 0.00 C ATOM 66 C LEU A 4 -11.951 12.577 1.671 1.00 0.00 C ATOM 67 O LEU A 4 -11.444 12.447 2.784 1.00 0.00 O ATOM 68 CB LEU A 4 -13.106 14.736 2.199 1.00 0.00 C ATOM 69 CG LEU A 4 -13.671 15.930 1.429 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.990 16.062 0.075 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.176 15.791 1.258 1.00 0.00 C ATOM 0 H LEU A 4 -14.368 12.472 2.993 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.379 13.558 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.614 14.670 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.053 14.923 2.407 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.473 16.835 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.405 16.917 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.920 16.208 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.157 15.155 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.561 16.650 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.397 14.878 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.651 15.746 2.238 1.00 0.00 H new ATOM 83 N LYS A 5 -11.435 12.036 0.572 1.00 0.00 N ATOM 84 CA LYS A 5 -10.212 11.243 0.613 1.00 0.00 C ATOM 85 C LYS A 5 -8.983 12.145 0.654 1.00 0.00 C ATOM 86 O LYS A 5 -9.098 13.367 0.568 1.00 0.00 O ATOM 87 CB LYS A 5 -10.139 10.314 -0.601 1.00 0.00 C ATOM 88 CG LYS A 5 -10.336 11.030 -1.928 1.00 0.00 C ATOM 89 CD LYS A 5 -11.720 10.776 -2.502 1.00 0.00 C ATOM 90 CE LYS A 5 -12.023 11.713 -3.659 1.00 0.00 C ATOM 91 NZ LYS A 5 -13.292 11.350 -4.351 1.00 0.00 N ATOM 0 H LYS A 5 -11.845 12.132 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.229 10.640 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.170 9.814 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.898 9.538 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.190 12.101 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.580 10.695 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.790 9.743 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.469 10.907 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.091 12.736 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.200 11.686 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.463 12.013 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.218 10.383 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.082 11.400 -3.676 1.00 0.00 H new ATOM 105 N LYS A 6 -7.806 11.533 0.786 1.00 0.00 N ATOM 106 CA LYS A 6 -6.545 12.275 0.841 1.00 0.00 C ATOM 107 C LYS A 6 -6.664 13.510 1.732 1.00 0.00 C ATOM 108 O LYS A 6 -7.055 14.583 1.273 1.00 0.00 O ATOM 109 CB LYS A 6 -6.098 12.684 -0.566 1.00 0.00 C ATOM 110 CG LYS A 6 -7.196 13.329 -1.398 1.00 0.00 C ATOM 111 CD LYS A 6 -6.672 13.795 -2.747 1.00 0.00 C ATOM 112 CE LYS A 6 -5.851 15.069 -2.619 1.00 0.00 C ATOM 113 NZ LYS A 6 -4.389 14.793 -2.655 1.00 0.00 N ATOM 0 H LYS A 6 -7.699 10.521 0.857 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.793 11.615 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.262 13.379 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.729 11.802 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.007 12.616 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.614 14.177 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.060 13.010 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.509 13.967 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.112 15.752 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.103 15.571 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.893 15.466 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.211 13.823 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.040 14.896 -3.629 1.00 0.00 H new ATOM 127 N HIS A 7 -6.327 13.347 3.008 1.00 0.00 N ATOM 128 CA HIS A 7 -6.402 14.447 3.963 1.00 0.00 C ATOM 129 C HIS A 7 -5.244 14.384 4.958 1.00 0.00 C ATOM 130 O HIS A 7 -4.526 13.388 5.025 1.00 0.00 O ATOM 131 CB HIS A 7 -7.738 14.404 4.708 1.00 0.00 C ATOM 132 CG HIS A 7 -8.723 15.426 4.229 1.00 0.00 C ATOM 133 ND1 HIS A 7 -8.671 15.986 2.971 1.00 0.00 N ATOM 134 CD2 HIS A 7 -9.788 15.988 4.846 1.00 0.00 C ATOM 135 CE1 HIS A 7 -9.662 16.850 2.835 1.00 0.00 C ATOM 136 NE2 HIS A 7 -10.353 16.870 3.959 1.00 0.00 N ATOM 0 H HIS A 7 -6.000 12.466 3.404 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.329 15.385 3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.174 13.411 4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.557 14.557 5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -7.976 15.768 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.130 15.781 5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.871 17.439 1.954 1.00 0.00 H new ATOM 145 N PRO A 8 -5.048 15.455 5.751 1.00 0.00 N ATOM 146 CA PRO A 8 -3.973 15.515 6.750 1.00 0.00 C ATOM 147 C PRO A 8 -4.076 14.398 7.787 1.00 0.00 C ATOM 148 O PRO A 8 -3.119 14.123 8.510 1.00 0.00 O ATOM 149 CB PRO A 8 -4.166 16.884 7.415 1.00 0.00 C ATOM 150 CG PRO A 8 -5.563 17.285 7.087 1.00 0.00 C ATOM 151 CD PRO A 8 -5.857 16.685 5.744 1.00 0.00 C ATOM 0 HA PRO A 8 -2.992 15.387 6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.017 16.822 8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.448 17.611 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.261 16.919 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.662 18.370 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.918 16.470 5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.571 17.353 4.931 1.00 0.00 H new ATOM 159 N ASP A 9 -5.241 13.759 7.860 1.00 0.00 N ATOM 160 CA ASP A 9 -5.467 12.674 8.813 1.00 0.00 C ATOM 161 C ASP A 9 -4.312 11.675 8.804 1.00 0.00 C ATOM 162 O ASP A 9 -3.575 11.557 9.784 1.00 0.00 O ATOM 163 CB ASP A 9 -6.779 11.954 8.492 1.00 0.00 C ATOM 164 CG ASP A 9 -7.439 11.376 9.728 1.00 0.00 C ATOM 165 OD1 ASP A 9 -7.572 12.112 10.729 1.00 0.00 O ATOM 166 OD2 ASP A 9 -7.822 10.188 9.697 1.00 0.00 O ATOM 0 H ASP A 9 -6.045 13.974 7.270 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.529 13.113 9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.464 12.651 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.585 11.153 7.779 1.00 0.00 H new ATOM 171 N PHE A 10 -4.159 10.957 7.695 1.00 0.00 N ATOM 172 CA PHE A 10 -3.092 9.969 7.568 1.00 0.00 C ATOM 173 C PHE A 10 -2.660 9.811 6.111 1.00 0.00 C ATOM 174 O PHE A 10 -3.445 10.045 5.193 1.00 0.00 O ATOM 175 CB PHE A 10 -3.548 8.620 8.126 1.00 0.00 C ATOM 176 CG PHE A 10 -4.754 8.057 7.428 1.00 0.00 C ATOM 177 CD1 PHE A 10 -6.032 8.410 7.830 1.00 0.00 C ATOM 178 CD2 PHE A 10 -4.607 7.176 6.369 1.00 0.00 C ATOM 179 CE1 PHE A 10 -7.142 7.895 7.189 1.00 0.00 C ATOM 180 CE2 PHE A 10 -5.715 6.658 5.724 1.00 0.00 C ATOM 181 CZ PHE A 10 -6.983 7.017 6.135 1.00 0.00 C ATOM 0 H PHE A 10 -4.758 11.040 6.874 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.236 10.323 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.727 7.907 8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.772 8.732 9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.162 9.096 8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.617 6.891 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.133 8.179 7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.588 5.973 4.899 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.849 6.612 5.633 1.00 0.00 H new ATOM 191 N PRO A 11 -1.397 9.406 5.882 1.00 0.00 N ATOM 192 CA PRO A 11 -0.859 9.217 4.533 1.00 0.00 C ATOM 193 C PRO A 11 -1.336 7.915 3.896 1.00 0.00 C ATOM 194 O PRO A 11 -0.885 6.832 4.267 1.00 0.00 O ATOM 195 CB PRO A 11 0.648 9.169 4.766 1.00 0.00 C ATOM 196 CG PRO A 11 0.795 8.612 6.141 1.00 0.00 C ATOM 197 CD PRO A 11 -0.394 9.105 6.924 1.00 0.00 C ATOM 0 HA PRO A 11 -1.179 10.004 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.144 8.539 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.093 10.161 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.822 7.523 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.727 8.945 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.755 8.350 7.622 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.148 9.990 7.511 1.00 0.00 H new ATOM 205 N LYS A 12 -2.245 8.028 2.932 1.00 0.00 N ATOM 206 CA LYS A 12 -2.774 6.858 2.242 1.00 0.00 C ATOM 207 C LYS A 12 -1.704 6.232 1.351 1.00 0.00 C ATOM 208 O LYS A 12 -1.814 6.246 0.124 1.00 0.00 O ATOM 209 CB LYS A 12 -3.997 7.239 1.406 1.00 0.00 C ATOM 210 CG LYS A 12 -4.825 6.045 0.959 1.00 0.00 C ATOM 211 CD LYS A 12 -5.738 6.403 -0.203 1.00 0.00 C ATOM 212 CE LYS A 12 -5.881 5.245 -1.176 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.470 4.041 -0.525 1.00 0.00 N ATOM 0 H LYS A 12 -2.630 8.917 2.612 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.075 6.126 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.628 7.911 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.667 7.792 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.162 5.231 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.423 5.683 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.720 6.683 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.339 7.272 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.510 5.549 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.903 4.994 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.661 3.315 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.802 3.664 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.359 4.302 -0.052 1.00 0.00 H new ATOM 227 N LYS A 13 -0.665 5.689 1.979 1.00 0.00 N ATOM 228 CA LYS A 13 0.435 5.063 1.253 1.00 0.00 C ATOM 229 C LYS A 13 -0.079 4.071 0.210 1.00 0.00 C ATOM 230 O LYS A 13 -1.243 3.668 0.242 1.00 0.00 O ATOM 231 CB LYS A 13 1.375 4.353 2.231 1.00 0.00 C ATOM 232 CG LYS A 13 2.665 5.116 2.495 1.00 0.00 C ATOM 233 CD LYS A 13 2.455 6.237 3.503 1.00 0.00 C ATOM 234 CE LYS A 13 3.346 6.066 4.724 1.00 0.00 C ATOM 235 NZ LYS A 13 3.072 4.786 5.435 1.00 0.00 N ATOM 0 H LYS A 13 -0.562 5.670 2.994 1.00 0.00 H new ATOM 0 HA LYS A 13 0.982 5.848 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.854 4.198 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.620 3.367 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.425 4.429 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.041 5.532 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.665 7.196 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.410 6.257 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.392 6.095 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.191 6.901 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.366 4.871 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.054 4.576 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.604 4.016 4.981 1.00 0.00 H new ATOM 249 N PRO A 14 0.788 3.665 -0.733 1.00 0.00 N ATOM 250 CA PRO A 14 0.427 2.718 -1.792 1.00 0.00 C ATOM 251 C PRO A 14 -0.182 1.437 -1.237 1.00 0.00 C ATOM 252 O PRO A 14 -0.245 1.242 -0.023 1.00 0.00 O ATOM 253 CB PRO A 14 1.763 2.418 -2.492 1.00 0.00 C ATOM 254 CG PRO A 14 2.820 2.953 -1.583 1.00 0.00 C ATOM 255 CD PRO A 14 2.189 4.093 -0.844 1.00 0.00 C ATOM 0 HA PRO A 14 -0.329 3.130 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.890 1.347 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.809 2.896 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.167 2.184 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.689 3.288 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.645 4.245 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.284 5.032 -1.389 1.00 0.00 H new ATOM 263 N LEU A 15 -0.630 0.564 -2.134 1.00 0.00 N ATOM 264 CA LEU A 15 -1.235 -0.700 -1.732 1.00 0.00 C ATOM 265 C LEU A 15 -0.187 -1.646 -1.160 1.00 0.00 C ATOM 266 O LEU A 15 1.013 -1.390 -1.250 1.00 0.00 O ATOM 267 CB LEU A 15 -1.932 -1.361 -2.924 1.00 0.00 C ATOM 268 CG LEU A 15 -3.071 -0.550 -3.543 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.265 -0.934 -5.002 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.358 -0.758 -2.760 1.00 0.00 C ATOM 0 H LEU A 15 -0.585 0.709 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.973 -0.488 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.188 -1.560 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.326 -2.326 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.808 0.507 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.079 -0.348 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.347 -0.736 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.508 -1.994 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.158 -0.174 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.626 -1.814 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.213 -0.435 -1.729 1.00 0.00 H new ATOM 282 N THR A 16 -0.649 -2.743 -0.569 1.00 0.00 N ATOM 283 CA THR A 16 0.245 -3.732 0.018 1.00 0.00 C ATOM 284 C THR A 16 0.361 -4.959 -0.882 1.00 0.00 C ATOM 285 O THR A 16 -0.547 -5.255 -1.660 1.00 0.00 O ATOM 286 CB THR A 16 -0.259 -4.147 1.403 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.351 -5.042 1.291 1.00 0.00 O ATOM 288 CG2 THR A 16 -0.709 -2.978 2.253 1.00 0.00 C ATOM 0 H THR A 16 -1.640 -2.969 -0.484 1.00 0.00 H new ATOM 0 HA THR A 16 1.232 -3.281 0.118 1.00 0.00 H new ATOM 0 HB THR A 16 0.593 -4.621 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.658 -5.297 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.054 -3.343 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.126 -2.293 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.523 -2.456 1.751 1.00 0.00 H new ATOM 296 N PRO A 17 1.481 -5.697 -0.787 1.00 0.00 N ATOM 297 CA PRO A 17 1.713 -6.899 -1.591 1.00 0.00 C ATOM 298 C PRO A 17 0.485 -7.799 -1.643 1.00 0.00 C ATOM 299 O PRO A 17 0.068 -8.237 -2.715 1.00 0.00 O ATOM 300 CB PRO A 17 2.876 -7.608 -0.879 1.00 0.00 C ATOM 301 CG PRO A 17 3.167 -6.801 0.350 1.00 0.00 C ATOM 302 CD PRO A 17 2.608 -5.430 0.107 1.00 0.00 C ATOM 0 HA PRO A 17 1.934 -6.653 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.607 -8.632 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.752 -7.664 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.710 -7.255 1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.240 -6.754 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.286 -4.954 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.342 -4.769 -0.353 1.00 0.00 H new ATOM 310 N TYR A 18 -0.100 -8.063 -0.478 1.00 0.00 N ATOM 311 CA TYR A 18 -1.290 -8.900 -0.400 1.00 0.00 C ATOM 312 C TYR A 18 -2.416 -8.285 -1.224 1.00 0.00 C ATOM 313 O TYR A 18 -3.195 -8.995 -1.861 1.00 0.00 O ATOM 314 CB TYR A 18 -1.734 -9.068 1.055 1.00 0.00 C ATOM 315 CG TYR A 18 -2.910 -10.005 1.228 1.00 0.00 C ATOM 316 CD1 TYR A 18 -3.009 -11.173 0.482 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.920 -9.719 2.137 1.00 0.00 C ATOM 318 CE1 TYR A 18 -4.082 -12.030 0.639 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.996 -10.571 2.299 1.00 0.00 C ATOM 320 CZ TYR A 18 -5.072 -11.725 1.548 1.00 0.00 C ATOM 321 OH TYR A 18 -6.140 -12.577 1.708 1.00 0.00 O ATOM 0 H TYR A 18 0.230 -7.711 0.421 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.050 -9.883 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.894 -9.441 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.997 -8.091 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.235 -11.415 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.864 -8.816 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.144 -12.934 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.773 -10.334 3.010 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.747 -12.217 2.388 1.00 0.00 H new ATOM 331 N PHE A 19 -2.481 -6.956 -1.218 1.00 0.00 N ATOM 332 CA PHE A 19 -3.496 -6.237 -1.977 1.00 0.00 C ATOM 333 C PHE A 19 -3.181 -6.315 -3.465 1.00 0.00 C ATOM 334 O PHE A 19 -4.039 -6.649 -4.278 1.00 0.00 O ATOM 335 CB PHE A 19 -3.567 -4.777 -1.523 1.00 0.00 C ATOM 336 CG PHE A 19 -4.665 -4.508 -0.533 1.00 0.00 C ATOM 337 CD1 PHE A 19 -4.911 -5.394 0.505 1.00 0.00 C ATOM 338 CD2 PHE A 19 -5.448 -3.371 -0.639 1.00 0.00 C ATOM 339 CE1 PHE A 19 -5.920 -5.150 1.417 1.00 0.00 C ATOM 340 CE2 PHE A 19 -6.458 -3.121 0.272 1.00 0.00 C ATOM 341 CZ PHE A 19 -6.694 -4.012 1.299 1.00 0.00 C ATOM 0 H PHE A 19 -1.842 -6.357 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.466 -6.700 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.612 -4.496 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.712 -4.140 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.307 -6.284 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.268 -2.672 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.103 -5.848 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.061 -2.230 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.484 -3.820 2.010 1.00 0.00 H new ATOM 351 N ARG A 20 -1.930 -6.030 -3.813 1.00 0.00 N ATOM 352 CA ARG A 20 -1.491 -6.091 -5.203 1.00 0.00 C ATOM 353 C ARG A 20 -1.560 -7.527 -5.724 1.00 0.00 C ATOM 354 O ARG A 20 -1.429 -7.767 -6.923 1.00 0.00 O ATOM 355 CB ARG A 20 -0.059 -5.564 -5.338 1.00 0.00 C ATOM 356 CG ARG A 20 0.257 -4.397 -4.416 1.00 0.00 C ATOM 357 CD ARG A 20 1.279 -3.460 -5.035 1.00 0.00 C ATOM 358 NE ARG A 20 0.689 -2.619 -6.076 1.00 0.00 N ATOM 359 CZ ARG A 20 0.758 -2.883 -7.380 1.00 0.00 C ATOM 360 NH1 ARG A 20 1.387 -3.968 -7.818 1.00 0.00 N ATOM 361 NH2 ARG A 20 0.191 -2.060 -8.251 1.00 0.00 N ATOM 0 H ARG A 20 -1.203 -5.755 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.157 -5.465 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.638 -6.376 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.108 -5.255 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.658 -3.846 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.636 -4.774 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.709 -2.828 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.096 -4.043 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 20 0.193 -1.777 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.823 -4.608 -7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.434 -4.161 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.297 -1.227 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.243 -2.260 -9.250 1.00 0.00 H new ATOM 375 N PHE A 21 -1.754 -8.474 -4.811 1.00 0.00 N ATOM 376 CA PHE A 21 -1.833 -9.888 -5.157 1.00 0.00 C ATOM 377 C PHE A 21 -3.288 -10.346 -5.252 1.00 0.00 C ATOM 378 O PHE A 21 -3.670 -11.067 -6.178 1.00 0.00 O ATOM 379 CB PHE A 21 -1.106 -10.702 -4.083 1.00 0.00 C ATOM 380 CG PHE A 21 -0.813 -12.124 -4.465 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.838 -13.011 -4.751 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.495 -12.576 -4.525 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.563 -14.321 -5.090 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.775 -13.884 -4.865 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.255 -14.758 -5.148 1.00 0.00 C ATOM 0 H PHE A 21 -1.860 -8.283 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.364 -10.042 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.167 -10.204 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.709 -10.701 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.863 -12.674 -4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.305 -11.897 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.371 -15.003 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.799 -14.223 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.038 -15.782 -5.414 1.00 0.00 H new ATOM 395 N PHE A 22 -4.090 -9.916 -4.286 1.00 0.00 N ATOM 396 CA PHE A 22 -5.500 -10.273 -4.232 1.00 0.00 C ATOM 397 C PHE A 22 -6.309 -9.341 -5.118 1.00 0.00 C ATOM 398 O PHE A 22 -7.110 -9.776 -5.945 1.00 0.00 O ATOM 399 CB PHE A 22 -5.970 -10.191 -2.772 1.00 0.00 C ATOM 400 CG PHE A 22 -7.460 -10.233 -2.570 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.248 -9.132 -2.862 1.00 0.00 C ATOM 402 CD2 PHE A 22 -8.068 -11.371 -2.064 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.615 -9.166 -2.658 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.432 -11.410 -1.855 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.207 -10.308 -2.152 1.00 0.00 C ATOM 0 H PHE A 22 -3.783 -9.313 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.645 -11.289 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.522 -11.015 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.587 -9.268 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.789 -8.236 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.467 -12.238 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.219 -8.302 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.892 -12.303 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.274 -10.338 -1.989 1.00 0.00 H new ATOM 415 N MET A 23 -6.083 -8.054 -4.933 1.00 0.00 N ATOM 416 CA MET A 23 -6.773 -7.025 -5.692 1.00 0.00 C ATOM 417 C MET A 23 -6.419 -7.071 -7.182 1.00 0.00 C ATOM 418 O MET A 23 -7.070 -6.415 -7.997 1.00 0.00 O ATOM 419 CB MET A 23 -6.434 -5.661 -5.082 1.00 0.00 C ATOM 420 CG MET A 23 -5.412 -4.843 -5.863 1.00 0.00 C ATOM 421 SD MET A 23 -6.173 -3.792 -7.115 1.00 0.00 S ATOM 422 CE MET A 23 -6.501 -2.312 -6.160 1.00 0.00 C ATOM 0 H MET A 23 -5.416 -7.691 -4.252 1.00 0.00 H new ATOM 0 HA MET A 23 -7.847 -7.201 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.352 -5.080 -4.995 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.058 -5.815 -4.071 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.843 -4.223 -5.170 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.703 -5.517 -6.343 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.521 -1.976 -6.348 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.381 -2.530 -5.099 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.801 -1.528 -6.451 1.00 0.00 H new ATOM 432 N GLU A 24 -5.385 -7.832 -7.540 1.00 0.00 N ATOM 433 CA GLU A 24 -4.964 -7.927 -8.935 1.00 0.00 C ATOM 434 C GLU A 24 -5.487 -9.195 -9.609 1.00 0.00 C ATOM 435 O GLU A 24 -5.892 -9.162 -10.770 1.00 0.00 O ATOM 436 CB GLU A 24 -3.434 -7.862 -9.036 1.00 0.00 C ATOM 437 CG GLU A 24 -2.732 -9.209 -8.896 1.00 0.00 C ATOM 438 CD GLU A 24 -2.720 -10.001 -10.191 1.00 0.00 C ATOM 439 OE1 GLU A 24 -3.174 -9.464 -11.223 1.00 0.00 O ATOM 440 OE2 GLU A 24 -2.254 -11.160 -10.172 1.00 0.00 O ATOM 0 H GLU A 24 -4.829 -8.386 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.395 -7.077 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.164 -7.424 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.060 -7.190 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.706 -9.047 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.228 -9.794 -8.122 1.00 0.00 H new ATOM 447 N LYS A 25 -5.460 -10.315 -8.892 1.00 0.00 N ATOM 448 CA LYS A 25 -5.921 -11.579 -9.458 1.00 0.00 C ATOM 449 C LYS A 25 -7.341 -11.922 -9.009 1.00 0.00 C ATOM 450 O LYS A 25 -7.904 -12.929 -9.438 1.00 0.00 O ATOM 451 CB LYS A 25 -4.952 -12.709 -9.098 1.00 0.00 C ATOM 452 CG LYS A 25 -5.147 -13.271 -7.702 1.00 0.00 C ATOM 453 CD LYS A 25 -3.891 -13.968 -7.204 1.00 0.00 C ATOM 454 CE LYS A 25 -3.973 -15.473 -7.402 1.00 0.00 C ATOM 455 NZ LYS A 25 -3.145 -15.927 -8.554 1.00 0.00 N ATOM 0 H LYS A 25 -5.128 -10.374 -7.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.944 -11.465 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.066 -13.516 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.930 -12.340 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.413 -12.465 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.979 -13.975 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.022 -13.577 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.746 -13.746 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.640 -15.977 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.011 -15.762 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.228 -16.959 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.478 -15.465 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.150 -15.674 -8.387 1.00 0.00 H new ATOM 469 N ARG A 26 -7.928 -11.079 -8.160 1.00 0.00 N ATOM 470 CA ARG A 26 -9.284 -11.299 -7.682 1.00 0.00 C ATOM 471 C ARG A 26 -10.213 -11.554 -8.854 1.00 0.00 C ATOM 472 O ARG A 26 -11.107 -12.399 -8.793 1.00 0.00 O ATOM 473 CB ARG A 26 -9.767 -10.083 -6.891 1.00 0.00 C ATOM 474 CG ARG A 26 -9.825 -10.316 -5.392 1.00 0.00 C ATOM 475 CD ARG A 26 -10.467 -11.654 -5.057 1.00 0.00 C ATOM 476 NE ARG A 26 -11.507 -12.018 -6.014 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.646 -11.348 -6.164 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.918 -10.303 -5.393 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.522 -11.730 -7.083 1.00 0.00 N ATOM 0 H ARG A 26 -7.482 -10.239 -7.792 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.288 -12.171 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.104 -9.242 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.759 -9.800 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.817 -10.282 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.390 -9.512 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.701 -12.430 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.896 -11.610 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.351 -12.836 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.251 -10.009 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.794 -9.794 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.322 -12.537 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.396 -11.217 -7.199 1.00 0.00 H new ATOM 493 N ALA A 27 -9.970 -10.824 -9.930 1.00 0.00 N ATOM 494 CA ALA A 27 -10.754 -10.963 -11.147 1.00 0.00 C ATOM 495 C ALA A 27 -10.728 -12.408 -11.617 1.00 0.00 C ATOM 496 O ALA A 27 -11.707 -12.924 -12.156 1.00 0.00 O ATOM 497 CB ALA A 27 -10.193 -10.061 -12.229 1.00 0.00 C ATOM 0 H ALA A 27 -9.230 -10.124 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.784 -10.673 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.785 -10.171 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.231 -9.024 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.159 -10.339 -12.434 1.00 0.00 H new ATOM 503 N LYS A 28 -9.586 -13.045 -11.403 1.00 0.00 N ATOM 504 CA LYS A 28 -9.397 -14.436 -11.798 1.00 0.00 C ATOM 505 C LYS A 28 -10.261 -15.380 -10.961 1.00 0.00 C ATOM 506 O LYS A 28 -10.500 -16.523 -11.350 1.00 0.00 O ATOM 507 CB LYS A 28 -7.922 -14.824 -11.668 1.00 0.00 C ATOM 508 CG LYS A 28 -7.360 -15.517 -12.900 1.00 0.00 C ATOM 509 CD LYS A 28 -7.600 -14.700 -14.162 1.00 0.00 C ATOM 510 CE LYS A 28 -8.687 -15.317 -15.028 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.124 -16.246 -16.047 1.00 0.00 N ATOM 0 H LYS A 28 -8.773 -12.620 -10.957 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.707 -14.532 -12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.336 -13.927 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.803 -15.481 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.290 -15.680 -12.770 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.822 -16.499 -13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.884 -13.683 -13.890 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.674 -14.631 -14.733 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.393 -15.856 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.246 -14.526 -15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.897 -16.646 -16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.470 -15.727 -16.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.612 -17.015 -15.570 1.00 0.00 H new ATOM 525 N TYR A 29 -10.723 -14.899 -9.811 1.00 0.00 N ATOM 526 CA TYR A 29 -11.556 -15.707 -8.926 1.00 0.00 C ATOM 527 C TYR A 29 -13.027 -15.346 -9.081 1.00 0.00 C ATOM 528 O TYR A 29 -13.901 -16.198 -8.942 1.00 0.00 O ATOM 529 CB TYR A 29 -11.122 -15.522 -7.472 1.00 0.00 C ATOM 530 CG TYR A 29 -9.739 -16.048 -7.183 1.00 0.00 C ATOM 531 CD1 TYR A 29 -9.464 -17.409 -7.235 1.00 0.00 C ATOM 532 CD2 TYR A 29 -8.708 -15.181 -6.856 1.00 0.00 C ATOM 533 CE1 TYR A 29 -8.195 -17.889 -6.969 1.00 0.00 C ATOM 534 CE2 TYR A 29 -7.441 -15.651 -6.589 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.188 -17.006 -6.647 1.00 0.00 C ATOM 536 OH TYR A 29 -5.922 -17.479 -6.383 1.00 0.00 O ATOM 0 H TYR A 29 -10.535 -13.956 -9.470 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.428 -16.753 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.157 -14.461 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.837 -16.026 -6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.253 -18.102 -7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.901 -14.119 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.995 -18.949 -7.013 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.649 -14.962 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.518 -17.813 -7.211 1.00 0.00 H new ATOM 546 N ALA A 30 -13.294 -14.082 -9.385 1.00 0.00 N ATOM 547 CA ALA A 30 -14.665 -13.625 -9.574 1.00 0.00 C ATOM 548 C ALA A 30 -15.257 -14.270 -10.815 1.00 0.00 C ATOM 549 O ALA A 30 -16.474 -14.320 -10.991 1.00 0.00 O ATOM 550 CB ALA A 30 -14.707 -12.109 -9.690 1.00 0.00 C ATOM 0 H ALA A 30 -12.584 -13.359 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.258 -13.918 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.738 -11.783 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.307 -11.663 -8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.107 -11.793 -10.543 1.00 0.00 H new ATOM 556 N LYS A 31 -14.373 -14.757 -11.676 1.00 0.00 N ATOM 557 CA LYS A 31 -14.771 -15.399 -12.915 1.00 0.00 C ATOM 558 C LYS A 31 -14.861 -16.913 -12.747 1.00 0.00 C ATOM 559 O LYS A 31 -15.638 -17.578 -13.433 1.00 0.00 O ATOM 560 CB LYS A 31 -13.756 -15.047 -13.998 1.00 0.00 C ATOM 561 CG LYS A 31 -14.387 -14.484 -15.257 1.00 0.00 C ATOM 562 CD LYS A 31 -15.129 -13.187 -14.979 1.00 0.00 C ATOM 563 CE LYS A 31 -16.441 -13.120 -15.743 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.434 -14.105 -15.232 1.00 0.00 N ATOM 0 H LYS A 31 -13.364 -14.717 -11.533 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.760 -15.041 -13.200 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.048 -14.320 -13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.186 -15.940 -14.255 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.614 -14.308 -16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.077 -15.216 -15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.325 -13.101 -13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.501 -12.341 -15.258 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.855 -12.115 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.255 -13.308 -16.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.384 -13.845 -15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.193 -15.054 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.420 -14.105 -14.192 1.00 0.00 H new ATOM 578 N LEU A 32 -14.051 -17.451 -11.841 1.00 0.00 N ATOM 579 CA LEU A 32 -14.029 -18.891 -11.591 1.00 0.00 C ATOM 580 C LEU A 32 -14.784 -19.263 -10.314 1.00 0.00 C ATOM 581 O LEU A 32 -14.913 -20.444 -9.991 1.00 0.00 O ATOM 582 CB LEU A 32 -12.582 -19.380 -11.498 1.00 0.00 C ATOM 583 CG LEU A 32 -12.420 -20.887 -11.285 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.469 -21.476 -12.317 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.924 -21.176 -9.876 1.00 0.00 C ATOM 0 H LEU A 32 -13.401 -16.914 -11.267 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.533 -19.378 -12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.060 -19.100 -12.413 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.090 -18.858 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.395 -21.357 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.367 -22.548 -12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.865 -21.302 -13.318 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.493 -21.000 -12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.815 -22.252 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.960 -20.691 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.642 -20.792 -9.152 1.00 0.00 H new ATOM 597 N HIS A 33 -15.280 -18.264 -9.588 1.00 0.00 N ATOM 598 CA HIS A 33 -16.016 -18.518 -8.352 1.00 0.00 C ATOM 599 C HIS A 33 -17.335 -17.748 -8.317 1.00 0.00 C ATOM 600 O HIS A 33 -17.605 -17.003 -7.375 1.00 0.00 O ATOM 601 CB HIS A 33 -15.159 -18.150 -7.137 1.00 0.00 C ATOM 602 CG HIS A 33 -13.925 -18.986 -7.009 1.00 0.00 C ATOM 603 ND1 HIS A 33 -13.944 -20.298 -6.583 1.00 0.00 N ATOM 604 CD2 HIS A 33 -12.626 -18.692 -7.255 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.711 -20.773 -6.572 1.00 0.00 C ATOM 606 NE2 HIS A 33 -11.893 -19.819 -6.976 1.00 0.00 N ATOM 0 H HIS A 33 -15.187 -17.278 -9.832 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.248 -19.582 -8.317 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.873 -17.101 -7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -15.758 -18.257 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.239 -17.747 -7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.422 -21.772 -6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.881 -19.905 -7.066 1.00 0.00 H new ATOM 615 N PRO A 34 -18.180 -17.918 -9.350 1.00 0.00 N ATOM 616 CA PRO A 34 -19.471 -17.241 -9.434 1.00 0.00 C ATOM 617 C PRO A 34 -20.579 -17.983 -8.684 1.00 0.00 C ATOM 618 O PRO A 34 -21.722 -17.529 -8.650 1.00 0.00 O ATOM 619 CB PRO A 34 -19.748 -17.251 -10.933 1.00 0.00 C ATOM 620 CG PRO A 34 -19.137 -18.525 -11.411 1.00 0.00 C ATOM 621 CD PRO A 34 -17.945 -18.787 -10.522 1.00 0.00 C ATOM 0 HA PRO A 34 -19.448 -16.249 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.818 -17.220 -11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.303 -16.387 -11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.853 -19.345 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.832 -18.442 -12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.883 -19.837 -10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.010 -18.538 -11.023 1.00 0.00 H new ATOM 629 N GLU A 35 -20.239 -19.126 -8.091 1.00 0.00 N ATOM 630 CA GLU A 35 -21.216 -19.920 -7.352 1.00 0.00 C ATOM 631 C GLU A 35 -20.972 -19.851 -5.847 1.00 0.00 C ATOM 632 O GLU A 35 -21.442 -20.704 -5.093 1.00 0.00 O ATOM 633 CB GLU A 35 -21.182 -21.376 -7.820 1.00 0.00 C ATOM 634 CG GLU A 35 -19.777 -21.924 -8.011 1.00 0.00 C ATOM 635 CD GLU A 35 -18.955 -21.881 -6.738 1.00 0.00 C ATOM 636 OE1 GLU A 35 -19.270 -22.647 -5.803 1.00 0.00 O ATOM 637 OE2 GLU A 35 -17.998 -21.081 -6.676 1.00 0.00 O ATOM 0 H GLU A 35 -19.299 -19.521 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.202 -19.500 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.708 -21.994 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -21.726 -21.459 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.838 -22.953 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.270 -21.350 -8.786 1.00 0.00 H new ATOM 644 N MET A 36 -20.238 -18.833 -5.418 1.00 0.00 N ATOM 645 CA MET A 36 -19.936 -18.649 -4.007 1.00 0.00 C ATOM 646 C MET A 36 -20.247 -17.215 -3.580 1.00 0.00 C ATOM 647 O MET A 36 -21.045 -16.531 -4.223 1.00 0.00 O ATOM 648 CB MET A 36 -18.466 -18.982 -3.747 1.00 0.00 C ATOM 649 CG MET A 36 -17.507 -18.094 -4.515 1.00 0.00 C ATOM 650 SD MET A 36 -15.925 -17.896 -3.676 1.00 0.00 S ATOM 651 CE MET A 36 -15.109 -19.422 -4.132 1.00 0.00 C ATOM 0 H MET A 36 -19.840 -18.121 -6.030 1.00 0.00 H new ATOM 0 HA MET A 36 -20.559 -19.322 -3.417 1.00 0.00 H new ATOM 0 HB2 MET A 36 -18.262 -18.888 -2.680 1.00 0.00 H new ATOM 0 HB3 MET A 36 -18.283 -20.022 -4.017 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.339 -18.518 -5.505 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.962 -17.114 -4.661 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.043 -19.239 -4.264 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.256 -20.162 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.531 -19.796 -5.065 1.00 0.00 H new ATOM 661 N SER A 37 -19.623 -16.759 -2.497 1.00 0.00 N ATOM 662 CA SER A 37 -19.850 -15.406 -2.000 1.00 0.00 C ATOM 663 C SER A 37 -18.573 -14.568 -2.051 1.00 0.00 C ATOM 664 O SER A 37 -18.516 -13.484 -1.471 1.00 0.00 O ATOM 665 CB SER A 37 -20.374 -15.459 -0.566 1.00 0.00 C ATOM 666 OG SER A 37 -21.724 -15.035 -0.498 1.00 0.00 O ATOM 0 H SER A 37 -18.958 -17.305 -1.949 1.00 0.00 H new ATOM 0 HA SER A 37 -20.591 -14.933 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.290 -16.476 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.758 -14.825 0.073 1.00 0.00 H new ATOM 0 HG SER A 37 -22.035 -15.080 0.430 1.00 0.00 H new ATOM 672 N ASN A 38 -17.549 -15.077 -2.740 1.00 0.00 N ATOM 673 CA ASN A 38 -16.267 -14.374 -2.861 1.00 0.00 C ATOM 674 C ASN A 38 -15.423 -14.534 -1.600 1.00 0.00 C ATOM 675 O ASN A 38 -14.224 -14.267 -1.604 1.00 0.00 O ATOM 676 CB ASN A 38 -16.509 -12.896 -3.133 1.00 0.00 C ATOM 677 CG ASN A 38 -15.701 -12.376 -4.304 1.00 0.00 C ATOM 678 OD1 ASN A 38 -14.585 -11.883 -4.134 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.263 -12.485 -5.502 1.00 0.00 N ATOM 0 H ASN A 38 -17.582 -15.974 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.720 -14.815 -3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.569 -12.736 -3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.259 -12.321 -2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.768 -12.153 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.190 -12.901 -5.595 1.00 0.00 H new ATOM 686 N LEU A 39 -16.057 -14.979 -0.529 1.00 0.00 N ATOM 687 CA LEU A 39 -15.365 -15.185 0.734 1.00 0.00 C ATOM 688 C LEU A 39 -14.589 -16.495 0.693 1.00 0.00 C ATOM 689 O LEU A 39 -13.519 -16.617 1.290 1.00 0.00 O ATOM 690 CB LEU A 39 -16.359 -15.194 1.897 1.00 0.00 C ATOM 691 CG LEU A 39 -16.295 -13.970 2.813 1.00 0.00 C ATOM 692 CD1 LEU A 39 -15.003 -13.970 3.614 1.00 0.00 C ATOM 693 CD2 LEU A 39 -16.423 -12.691 2.003 1.00 0.00 C ATOM 0 H LEU A 39 -17.051 -15.205 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.666 -14.363 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.368 -15.273 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.185 -16.087 2.497 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.131 -14.018 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.975 -13.092 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.954 -14.871 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.153 -13.946 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.375 -11.831 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.609 -12.635 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.377 -12.688 1.476 1.00 0.00 H new ATOM 705 N ASP A 40 -15.133 -17.472 -0.028 1.00 0.00 N ATOM 706 CA ASP A 40 -14.487 -18.770 -0.159 1.00 0.00 C ATOM 707 C ASP A 40 -13.204 -18.640 -0.973 1.00 0.00 C ATOM 708 O ASP A 40 -12.236 -19.363 -0.742 1.00 0.00 O ATOM 709 CB ASP A 40 -15.435 -19.780 -0.814 1.00 0.00 C ATOM 710 CG ASP A 40 -16.243 -20.556 0.208 1.00 0.00 C ATOM 711 OD1 ASP A 40 -15.700 -21.521 0.785 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.418 -20.198 0.431 1.00 0.00 O ATOM 0 H ASP A 40 -16.018 -17.388 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.234 -19.133 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.113 -19.255 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.857 -20.476 -1.422 1.00 0.00 H new ATOM 717 N LEU A 41 -13.201 -17.701 -1.918 1.00 0.00 N ATOM 718 CA LEU A 41 -12.036 -17.463 -2.754 1.00 0.00 C ATOM 719 C LEU A 41 -11.043 -16.557 -2.031 1.00 0.00 C ATOM 720 O LEU A 41 -9.831 -16.668 -2.219 1.00 0.00 O ATOM 721 CB LEU A 41 -12.455 -16.850 -4.096 1.00 0.00 C ATOM 722 CG LEU A 41 -13.343 -15.608 -4.031 1.00 0.00 C ATOM 723 CD1 LEU A 41 -12.502 -14.364 -3.787 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.136 -15.466 -5.324 1.00 0.00 C ATOM 0 H LEU A 41 -13.996 -17.094 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.548 -18.417 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.552 -16.595 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.978 -17.614 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.040 -15.720 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.151 -13.489 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.967 -14.466 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.785 -14.244 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.766 -14.578 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.448 -15.371 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.762 -16.347 -5.465 1.00 0.00 H new ATOM 736 N THR A 42 -11.566 -15.672 -1.187 1.00 0.00 N ATOM 737 CA THR A 42 -10.728 -14.762 -0.419 1.00 0.00 C ATOM 738 C THR A 42 -9.769 -15.551 0.466 1.00 0.00 C ATOM 739 O THR A 42 -8.590 -15.216 0.576 1.00 0.00 O ATOM 740 CB THR A 42 -11.596 -13.834 0.434 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.405 -13.012 -0.387 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.797 -12.927 1.345 1.00 0.00 C ATOM 0 H THR A 42 -12.567 -15.567 -1.019 1.00 0.00 H new ATOM 0 HA THR A 42 -10.145 -14.154 -1.111 1.00 0.00 H new ATOM 0 HB THR A 42 -12.201 -14.497 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.253 -13.467 -0.571 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.477 -12.298 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.199 -13.532 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.139 -12.298 0.746 1.00 0.00 H new ATOM 750 N LYS A 43 -10.283 -16.611 1.082 1.00 0.00 N ATOM 751 CA LYS A 43 -9.472 -17.463 1.941 1.00 0.00 C ATOM 752 C LYS A 43 -8.336 -18.079 1.130 1.00 0.00 C ATOM 753 O LYS A 43 -7.196 -18.155 1.590 1.00 0.00 O ATOM 754 CB LYS A 43 -10.349 -18.552 2.579 1.00 0.00 C ATOM 755 CG LYS A 43 -9.660 -19.899 2.749 1.00 0.00 C ATOM 756 CD LYS A 43 -9.846 -20.775 1.521 1.00 0.00 C ATOM 757 CE LYS A 43 -9.946 -22.245 1.895 1.00 0.00 C ATOM 758 NZ LYS A 43 -10.060 -23.117 0.693 1.00 0.00 N ATOM 0 H LYS A 43 -11.258 -16.900 1.001 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.038 -16.865 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.685 -18.204 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.240 -18.689 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.596 -19.745 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.063 -20.407 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.748 -20.472 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.009 -20.628 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.067 -22.534 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.813 -22.398 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.126 -24.111 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.913 -22.859 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.221 -22.991 0.092 1.00 0.00 H new ATOM 772 N ILE A 44 -8.663 -18.505 -0.086 1.00 0.00 N ATOM 773 CA ILE A 44 -7.684 -19.104 -0.984 1.00 0.00 C ATOM 774 C ILE A 44 -6.449 -18.216 -1.108 1.00 0.00 C ATOM 775 O ILE A 44 -5.317 -18.698 -1.090 1.00 0.00 O ATOM 776 CB ILE A 44 -8.277 -19.326 -2.392 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.553 -20.163 -2.314 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.263 -19.995 -3.304 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.225 -20.353 -3.658 1.00 0.00 C ATOM 0 H ILE A 44 -9.605 -18.445 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.404 -20.067 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.527 -18.351 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.314 -21.140 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.253 -19.684 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.702 -20.142 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.379 -19.363 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.979 -20.961 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.125 -20.956 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.494 -19.381 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.541 -20.859 -4.339 1.00 0.00 H new ATOM 791 N LEU A 45 -6.683 -16.914 -1.239 1.00 0.00 N ATOM 792 CA LEU A 45 -5.597 -15.950 -1.372 1.00 0.00 C ATOM 793 C LEU A 45 -4.949 -15.647 -0.024 1.00 0.00 C ATOM 794 O LEU A 45 -3.820 -15.160 0.033 1.00 0.00 O ATOM 795 CB LEU A 45 -6.120 -14.663 -2.009 1.00 0.00 C ATOM 796 CG LEU A 45 -6.567 -14.812 -3.463 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.433 -13.637 -3.885 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.357 -14.947 -4.375 1.00 0.00 C ATOM 0 H LEU A 45 -7.616 -16.502 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.833 -16.388 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.960 -14.296 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.339 -13.904 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.167 -15.718 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.739 -13.765 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.317 -13.590 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.865 -12.712 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.690 -15.052 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.732 -14.059 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.781 -15.827 -4.088 1.00 0.00 H new ATOM 810 N SER A 46 -5.659 -15.946 1.059 1.00 0.00 N ATOM 811 CA SER A 46 -5.137 -15.710 2.400 1.00 0.00 C ATOM 812 C SER A 46 -4.239 -16.861 2.840 1.00 0.00 C ATOM 813 O SER A 46 -3.498 -16.750 3.817 1.00 0.00 O ATOM 814 CB SER A 46 -6.284 -15.531 3.396 1.00 0.00 C ATOM 815 OG SER A 46 -5.828 -15.674 4.731 1.00 0.00 O ATOM 0 H SER A 46 -6.595 -16.351 1.035 1.00 0.00 H new ATOM 0 HA SER A 46 -4.544 -14.796 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.733 -14.546 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.063 -16.266 3.194 1.00 0.00 H new ATOM 0 HG SER A 46 -4.884 -15.937 4.728 1.00 0.00 H new ATOM 821 N LYS A 47 -4.312 -17.969 2.110 1.00 0.00 N ATOM 822 CA LYS A 47 -3.518 -19.144 2.412 1.00 0.00 C ATOM 823 C LYS A 47 -2.295 -19.221 1.501 1.00 0.00 C ATOM 824 O LYS A 47 -1.259 -19.767 1.881 1.00 0.00 O ATOM 825 CB LYS A 47 -4.383 -20.392 2.249 1.00 0.00 C ATOM 826 CG LYS A 47 -3.606 -21.694 2.346 1.00 0.00 C ATOM 827 CD LYS A 47 -3.511 -22.398 1.001 1.00 0.00 C ATOM 828 CE LYS A 47 -3.856 -23.874 1.116 1.00 0.00 C ATOM 829 NZ LYS A 47 -5.234 -24.163 0.633 1.00 0.00 N ATOM 0 H LYS A 47 -4.921 -18.073 1.298 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.165 -19.079 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.160 -20.386 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.885 -20.351 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.603 -21.491 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.089 -22.353 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.186 -21.920 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.502 -22.290 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.140 -24.460 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.763 -24.188 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.429 -25.180 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.920 -23.624 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.317 -23.887 -0.366 1.00 0.00 H new ATOM 843 N LYS A 48 -2.424 -18.674 0.295 1.00 0.00 N ATOM 844 CA LYS A 48 -1.332 -18.684 -0.671 1.00 0.00 C ATOM 845 C LYS A 48 -0.299 -17.610 -0.339 1.00 0.00 C ATOM 846 O LYS A 48 0.880 -17.906 -0.152 1.00 0.00 O ATOM 847 CB LYS A 48 -1.872 -18.471 -2.087 1.00 0.00 C ATOM 848 CG LYS A 48 -1.953 -19.750 -2.905 1.00 0.00 C ATOM 849 CD LYS A 48 -3.372 -20.021 -3.381 1.00 0.00 C ATOM 850 CE LYS A 48 -3.560 -19.618 -4.837 1.00 0.00 C ATOM 851 NZ LYS A 48 -4.334 -20.637 -5.599 1.00 0.00 N ATOM 0 H LYS A 48 -3.275 -18.218 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.845 -19.658 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.865 -18.025 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.234 -17.757 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.288 -19.675 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.603 -20.590 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.600 -21.080 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.077 -19.472 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.076 -18.659 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.585 -19.478 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.440 -20.326 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.829 -21.546 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.274 -20.752 -5.169 1.00 0.00 H new ATOM 865 N TYR A 49 -0.752 -16.360 -0.276 1.00 0.00 N ATOM 866 CA TYR A 49 0.118 -15.235 0.024 1.00 0.00 C ATOM 867 C TYR A 49 1.064 -15.538 1.186 1.00 0.00 C ATOM 868 O TYR A 49 2.177 -15.016 1.242 1.00 0.00 O ATOM 869 CB TYR A 49 -0.727 -14.009 0.349 1.00 0.00 C ATOM 870 CG TYR A 49 0.098 -12.787 0.643 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.753 -12.122 -0.375 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.228 -12.311 1.937 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.523 -11.005 -0.116 1.00 0.00 C ATOM 874 CE2 TYR A 49 0.994 -11.196 2.211 1.00 0.00 C ATOM 875 CZ TYR A 49 1.641 -10.545 1.180 1.00 0.00 C ATOM 876 OH TYR A 49 2.407 -9.435 1.447 1.00 0.00 O ATOM 0 H TYR A 49 -1.727 -16.104 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 49 0.731 -15.042 -0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.390 -13.799 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.360 -14.229 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.662 -12.481 -1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.278 -12.820 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.029 -10.495 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.086 -10.835 3.225 1.00 0.00 H new ATOM 0 HH TYR A 49 2.383 -9.245 2.408 1.00 0.00 H new ATOM 886 N LYS A 50 0.616 -16.377 2.113 1.00 0.00 N ATOM 887 CA LYS A 50 1.428 -16.736 3.270 1.00 0.00 C ATOM 888 C LYS A 50 2.351 -17.907 2.955 1.00 0.00 C ATOM 889 O LYS A 50 3.545 -17.865 3.253 1.00 0.00 O ATOM 890 CB LYS A 50 0.535 -17.087 4.458 1.00 0.00 C ATOM 891 CG LYS A 50 -0.253 -15.903 4.991 1.00 0.00 C ATOM 892 CD LYS A 50 0.514 -15.169 6.080 1.00 0.00 C ATOM 893 CE LYS A 50 1.729 -14.447 5.517 1.00 0.00 C ATOM 894 NZ LYS A 50 2.019 -13.190 6.260 1.00 0.00 N ATOM 0 H LYS A 50 -0.302 -16.820 2.086 1.00 0.00 H new ATOM 0 HA LYS A 50 2.043 -15.873 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.160 -17.872 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.152 -17.494 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.476 -15.216 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.208 -16.248 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.144 -14.450 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.833 -15.879 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.597 -15.105 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.560 -14.217 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.854 -12.727 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.201 -12.551 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.206 -13.412 7.259 1.00 0.00 H new ATOM 908 N GLU A 51 1.792 -18.950 2.353 1.00 0.00 N ATOM 909 CA GLU A 51 2.567 -20.136 1.999 1.00 0.00 C ATOM 910 C GLU A 51 3.820 -19.762 1.205 1.00 0.00 C ATOM 911 O GLU A 51 4.800 -20.509 1.191 1.00 0.00 O ATOM 912 CB GLU A 51 1.703 -21.123 1.202 1.00 0.00 C ATOM 913 CG GLU A 51 1.637 -20.829 -0.291 1.00 0.00 C ATOM 914 CD GLU A 51 2.508 -21.763 -1.107 1.00 0.00 C ATOM 915 OE1 GLU A 51 3.746 -21.702 -0.958 1.00 0.00 O ATOM 916 OE2 GLU A 51 1.952 -22.556 -1.894 1.00 0.00 O ATOM 0 H GLU A 51 0.805 -19.000 2.099 1.00 0.00 H new ATOM 0 HA GLU A 51 2.886 -20.617 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.095 -22.130 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.692 -21.113 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.604 -20.913 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.948 -19.800 -0.469 1.00 0.00 H new ATOM 923 N LEU A 52 3.783 -18.604 0.548 1.00 0.00 N ATOM 924 CA LEU A 52 4.915 -18.135 -0.243 1.00 0.00 C ATOM 925 C LEU A 52 6.212 -18.192 0.562 1.00 0.00 C ATOM 926 O LEU A 52 6.257 -17.762 1.714 1.00 0.00 O ATOM 927 CB LEU A 52 4.665 -16.704 -0.726 1.00 0.00 C ATOM 928 CG LEU A 52 3.967 -16.594 -2.082 1.00 0.00 C ATOM 929 CD1 LEU A 52 2.460 -16.488 -1.902 1.00 0.00 C ATOM 930 CD2 LEU A 52 4.500 -15.400 -2.860 1.00 0.00 C ATOM 0 H LEU A 52 2.980 -17.975 0.549 1.00 0.00 H new ATOM 0 HA LEU A 52 5.018 -18.794 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.063 -16.185 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.621 -16.183 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 52 4.179 -17.498 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.982 -16.411 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.092 -17.375 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.225 -15.602 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.992 -15.337 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.319 -14.486 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.571 -15.520 -3.022 1.00 0.00 H new ATOM 942 N PRO A 53 7.288 -18.725 -0.042 1.00 0.00 N ATOM 943 CA PRO A 53 8.597 -18.839 0.618 1.00 0.00 C ATOM 944 C PRO A 53 9.284 -17.498 0.822 1.00 0.00 C ATOM 945 O PRO A 53 10.509 -17.430 0.922 1.00 0.00 O ATOM 946 CB PRO A 53 9.429 -19.661 -0.358 1.00 0.00 C ATOM 947 CG PRO A 53 8.767 -19.506 -1.683 1.00 0.00 C ATOM 948 CD PRO A 53 7.310 -19.264 -1.413 1.00 0.00 C ATOM 0 HA PRO A 53 8.485 -19.275 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.459 -19.305 -0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.463 -20.708 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.201 -18.674 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.904 -20.400 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.883 -18.559 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.731 -20.184 -1.490 1.00 0.00 H new ATOM 956 N GLU A 54 8.504 -16.435 0.852 1.00 0.00 N ATOM 957 CA GLU A 54 9.044 -15.090 1.007 1.00 0.00 C ATOM 958 C GLU A 54 10.058 -14.796 -0.095 1.00 0.00 C ATOM 959 O GLU A 54 10.803 -13.819 -0.017 1.00 0.00 O ATOM 960 CB GLU A 54 9.697 -14.893 2.385 1.00 0.00 C ATOM 961 CG GLU A 54 9.618 -16.104 3.298 1.00 0.00 C ATOM 962 CD GLU A 54 9.820 -15.751 4.758 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.497 -14.738 5.035 1.00 0.00 O ATOM 964 OE2 GLU A 54 9.303 -16.487 5.625 1.00 0.00 O ATOM 0 H GLU A 54 7.488 -16.473 0.771 1.00 0.00 H new ATOM 0 HA GLU A 54 8.211 -14.392 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.745 -14.629 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.220 -14.048 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.647 -16.583 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.372 -16.831 2.997 1.00 0.00 H new ATOM 971 N LYS A 55 10.089 -15.646 -1.124 1.00 0.00 N ATOM 972 CA LYS A 55 11.020 -15.462 -2.225 1.00 0.00 C ATOM 973 C LYS A 55 10.396 -14.620 -3.334 1.00 0.00 C ATOM 974 O LYS A 55 11.098 -13.919 -4.063 1.00 0.00 O ATOM 975 CB LYS A 55 11.460 -16.817 -2.783 1.00 0.00 C ATOM 976 CG LYS A 55 12.297 -17.635 -1.815 1.00 0.00 C ATOM 977 CD LYS A 55 13.600 -16.932 -1.469 1.00 0.00 C ATOM 978 CE LYS A 55 14.421 -17.733 -0.471 1.00 0.00 C ATOM 979 NZ LYS A 55 14.776 -16.928 0.731 1.00 0.00 N ATOM 0 H LYS A 55 9.482 -16.461 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 55 11.893 -14.934 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.575 -17.391 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.032 -16.655 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.727 -17.816 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.514 -18.609 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.182 -16.776 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.384 -15.947 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.859 -18.615 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.332 -18.087 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.335 -17.511 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.334 -16.100 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.907 -16.611 1.206 1.00 0.00 H new ATOM 993 N LYS A 56 9.073 -14.699 -3.463 1.00 0.00 N ATOM 994 CA LYS A 56 8.358 -13.948 -4.489 1.00 0.00 C ATOM 995 C LYS A 56 7.830 -12.624 -3.944 1.00 0.00 C ATOM 996 O LYS A 56 7.985 -11.578 -4.575 1.00 0.00 O ATOM 997 CB LYS A 56 7.202 -14.780 -5.045 1.00 0.00 C ATOM 998 CG LYS A 56 7.638 -16.120 -5.615 1.00 0.00 C ATOM 999 CD LYS A 56 6.897 -17.275 -4.960 1.00 0.00 C ATOM 1000 CE LYS A 56 7.551 -18.609 -5.278 1.00 0.00 C ATOM 1001 NZ LYS A 56 7.753 -18.792 -6.741 1.00 0.00 N ATOM 0 H LYS A 56 8.476 -15.275 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 56 9.062 -13.728 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.474 -14.951 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.697 -14.210 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.458 -16.135 -6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.711 -16.246 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.874 -17.128 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.862 -17.285 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.512 -18.673 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.931 -19.419 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.959 -19.792 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.891 -18.508 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.551 -18.205 -7.057 1.00 0.00 H new ATOM 1015 N LYS A 57 7.213 -12.670 -2.766 1.00 0.00 N ATOM 1016 CA LYS A 57 6.674 -11.466 -2.144 1.00 0.00 C ATOM 1017 C LYS A 57 7.789 -10.464 -1.908 1.00 0.00 C ATOM 1018 O LYS A 57 7.571 -9.256 -1.984 1.00 0.00 O ATOM 1019 CB LYS A 57 5.951 -11.789 -0.836 1.00 0.00 C ATOM 1020 CG LYS A 57 6.704 -12.749 0.065 1.00 0.00 C ATOM 1021 CD LYS A 57 5.833 -13.930 0.462 1.00 0.00 C ATOM 1022 CE LYS A 57 5.306 -13.789 1.880 1.00 0.00 C ATOM 1023 NZ LYS A 57 6.106 -14.584 2.853 1.00 0.00 N ATOM 0 H LYS A 57 7.075 -13.524 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 57 5.941 -11.029 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.773 -10.861 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.975 -12.215 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.596 -13.108 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.040 -12.224 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.996 -14.013 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.409 -14.851 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.322 -12.738 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.266 -14.114 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.637 -14.570 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.184 -15.566 2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.057 -14.172 2.940 1.00 0.00 H new ATOM 1037 N MET A 58 9.001 -10.970 -1.672 1.00 0.00 N ATOM 1038 CA MET A 58 10.155 -10.101 -1.483 1.00 0.00 C ATOM 1039 C MET A 58 10.174 -9.062 -2.597 1.00 0.00 C ATOM 1040 O MET A 58 10.629 -7.933 -2.415 1.00 0.00 O ATOM 1041 CB MET A 58 11.449 -10.915 -1.499 1.00 0.00 C ATOM 1042 CG MET A 58 11.928 -11.328 -0.118 1.00 0.00 C ATOM 1043 SD MET A 58 12.815 -10.008 0.733 1.00 0.00 S ATOM 1044 CE MET A 58 13.395 -10.875 2.191 1.00 0.00 C ATOM 0 H MET A 58 9.204 -11.968 -1.608 1.00 0.00 H new ATOM 0 HA MET A 58 10.081 -9.605 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 58 11.298 -11.809 -2.104 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.230 -10.330 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.071 -11.632 0.484 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.578 -12.198 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 58 13.963 -10.190 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.541 -11.258 2.750 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.034 -11.706 1.890 1.00 0.00 H new ATOM 1054 N LYS A 59 9.631 -9.463 -3.745 1.00 0.00 N ATOM 1055 CA LYS A 59 9.529 -8.585 -4.898 1.00 0.00 C ATOM 1056 C LYS A 59 8.334 -7.655 -4.716 1.00 0.00 C ATOM 1057 O LYS A 59 8.433 -6.445 -4.911 1.00 0.00 O ATOM 1058 CB LYS A 59 9.382 -9.418 -6.180 1.00 0.00 C ATOM 1059 CG LYS A 59 8.033 -9.279 -6.872 1.00 0.00 C ATOM 1060 CD LYS A 59 7.994 -10.061 -8.175 1.00 0.00 C ATOM 1061 CE LYS A 59 6.569 -10.402 -8.577 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.082 -11.636 -7.899 1.00 0.00 N ATOM 0 H LYS A 59 9.254 -10.398 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 59 10.434 -7.984 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.166 -9.127 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.545 -10.468 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.244 -9.634 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.832 -8.227 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.466 -9.477 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.572 -10.979 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.912 -9.568 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.519 -10.537 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.119 -11.478 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.073 -12.424 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.713 -11.869 -7.106 1.00 0.00 H new ATOM 1076 N TYR A 60 7.204 -8.246 -4.331 1.00 0.00 N ATOM 1077 CA TYR A 60 5.980 -7.485 -4.105 1.00 0.00 C ATOM 1078 C TYR A 60 6.209 -6.408 -3.056 1.00 0.00 C ATOM 1079 O TYR A 60 5.894 -5.238 -3.277 1.00 0.00 O ATOM 1080 CB TYR A 60 4.849 -8.397 -3.638 1.00 0.00 C ATOM 1081 CG TYR A 60 4.385 -9.398 -4.671 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.319 -9.060 -6.017 1.00 0.00 C ATOM 1083 CD2 TYR A 60 3.999 -10.678 -4.295 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.882 -9.972 -6.959 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.564 -11.593 -5.229 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.506 -11.237 -6.560 1.00 0.00 C ATOM 1087 OH TYR A 60 3.072 -12.149 -7.496 1.00 0.00 O ATOM 0 H TYR A 60 7.112 -9.249 -4.170 1.00 0.00 H new ATOM 0 HA TYR A 60 5.700 -7.022 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.177 -8.936 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.001 -7.780 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.614 -8.070 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.040 -10.961 -3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.835 -9.695 -8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.270 -12.585 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 60 2.846 -12.992 -7.051 1.00 0.00 H new ATOM 1097 N ILE A 61 6.765 -6.806 -1.913 1.00 0.00 N ATOM 1098 CA ILE A 61 7.035 -5.856 -0.844 1.00 0.00 C ATOM 1099 C ILE A 61 7.941 -4.748 -1.367 1.00 0.00 C ATOM 1100 O ILE A 61 7.797 -3.582 -0.997 1.00 0.00 O ATOM 1101 CB ILE A 61 7.695 -6.516 0.391 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.697 -7.411 1.139 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.229 -5.444 1.332 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.262 -8.640 0.369 1.00 0.00 C ATOM 0 H ILE A 61 7.033 -7.768 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 61 6.075 -5.452 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 61 8.520 -7.138 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.146 -7.727 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.815 -6.822 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.692 -5.918 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.970 -4.838 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.408 -4.808 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.558 -9.216 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.781 -8.336 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.133 -9.255 0.143 1.00 0.00 H new ATOM 1116 N GLN A 62 8.858 -5.124 -2.253 1.00 0.00 N ATOM 1117 CA GLN A 62 9.768 -4.169 -2.858 1.00 0.00 C ATOM 1118 C GLN A 62 8.992 -3.276 -3.809 1.00 0.00 C ATOM 1119 O GLN A 62 9.365 -2.129 -4.053 1.00 0.00 O ATOM 1120 CB GLN A 62 10.889 -4.892 -3.604 1.00 0.00 C ATOM 1121 CG GLN A 62 12.127 -5.135 -2.754 1.00 0.00 C ATOM 1122 CD GLN A 62 13.411 -4.970 -3.541 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.358 -4.332 -3.079 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.450 -5.546 -4.736 1.00 0.00 N ATOM 0 H GLN A 62 8.987 -6.086 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 62 10.222 -3.560 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.514 -5.849 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.169 -4.306 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.128 -4.442 -1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.086 -6.141 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.642 -6.065 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.288 -5.470 -5.312 1.00 0.00 H new ATOM 1133 N ASP A 63 7.886 -3.811 -4.325 1.00 0.00 N ATOM 1134 CA ASP A 63 7.029 -3.067 -5.228 1.00 0.00 C ATOM 1135 C ASP A 63 6.159 -2.106 -4.428 1.00 0.00 C ATOM 1136 O ASP A 63 5.759 -1.050 -4.917 1.00 0.00 O ATOM 1137 CB ASP A 63 6.155 -4.019 -6.047 1.00 0.00 C ATOM 1138 CG ASP A 63 6.738 -4.301 -7.418 1.00 0.00 C ATOM 1139 OD1 ASP A 63 7.334 -3.376 -8.011 1.00 0.00 O ATOM 1140 OD2 ASP A 63 6.601 -5.446 -7.897 1.00 0.00 O ATOM 0 H ASP A 63 7.568 -4.760 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 63 7.651 -2.498 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.037 -4.957 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.160 -3.589 -6.159 1.00 0.00 H new ATOM 1145 N PHE A 64 5.884 -2.486 -3.184 1.00 0.00 N ATOM 1146 CA PHE A 64 5.078 -1.676 -2.285 1.00 0.00 C ATOM 1147 C PHE A 64 5.946 -0.620 -1.599 1.00 0.00 C ATOM 1148 O PHE A 64 5.458 0.437 -1.202 1.00 0.00 O ATOM 1149 CB PHE A 64 4.404 -2.585 -1.244 1.00 0.00 C ATOM 1150 CG PHE A 64 4.500 -2.090 0.173 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.578 -1.185 0.670 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.517 -2.533 1.002 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.666 -0.729 1.971 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.612 -2.081 2.305 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.685 -1.177 2.791 1.00 0.00 C ATOM 0 H PHE A 64 6.213 -3.360 -2.775 1.00 0.00 H new ATOM 0 HA PHE A 64 4.307 -1.160 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.352 -2.697 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.854 -3.576 -1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.781 -0.831 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.243 -3.239 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.940 -0.024 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.409 -2.433 2.943 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.757 -0.822 3.808 1.00 0.00 H new ATOM 1165 N GLN A 65 7.231 -0.928 -1.454 1.00 0.00 N ATOM 1166 CA GLN A 65 8.169 -0.021 -0.803 1.00 0.00 C ATOM 1167 C GLN A 65 8.790 0.955 -1.801 1.00 0.00 C ATOM 1168 O GLN A 65 8.932 2.143 -1.511 1.00 0.00 O ATOM 1169 CB GLN A 65 9.271 -0.824 -0.108 1.00 0.00 C ATOM 1170 CG GLN A 65 8.787 -1.578 1.120 1.00 0.00 C ATOM 1171 CD GLN A 65 9.717 -1.421 2.306 1.00 0.00 C ATOM 1172 OE1 GLN A 65 9.828 -0.340 2.884 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.394 -2.504 2.675 1.00 0.00 N ATOM 0 H GLN A 65 7.647 -1.801 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 65 7.616 0.560 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.695 -1.535 -0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.074 -0.147 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.794 -1.221 1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.690 -2.636 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.271 -3.380 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.036 -2.459 3.466 1.00 0.00 H new ATOM 1182 N ARG A 66 9.170 0.448 -2.969 1.00 0.00 N ATOM 1183 CA ARG A 66 9.786 1.282 -3.996 1.00 0.00 C ATOM 1184 C ARG A 66 8.864 2.424 -4.418 1.00 0.00 C ATOM 1185 O ARG A 66 9.328 3.484 -4.836 1.00 0.00 O ATOM 1186 CB ARG A 66 10.178 0.435 -5.214 1.00 0.00 C ATOM 1187 CG ARG A 66 8.999 -0.011 -6.065 1.00 0.00 C ATOM 1188 CD ARG A 66 9.244 0.263 -7.541 1.00 0.00 C ATOM 1189 NE ARG A 66 8.197 -0.307 -8.385 1.00 0.00 N ATOM 1190 CZ ARG A 66 8.171 -0.196 -9.711 1.00 0.00 C ATOM 1191 NH1 ARG A 66 9.132 0.464 -10.347 1.00 0.00 N ATOM 1192 NH2 ARG A 66 7.183 -0.746 -10.403 1.00 0.00 N ATOM 0 H ARG A 66 9.063 -0.533 -3.228 1.00 0.00 H new ATOM 0 HA ARG A 66 10.687 1.721 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.865 1.009 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.719 -0.447 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.823 -1.076 -5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.098 0.509 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.297 1.339 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.209 -0.152 -7.831 1.00 0.00 H new ATOM 0 HE ARG A 66 7.441 -0.820 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.895 0.889 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.108 0.546 -11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.443 -1.254 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.163 -0.661 -11.419 1.00 0.00 H new ATOM 1206 N GLU A 67 7.557 2.204 -4.307 1.00 0.00 N ATOM 1207 CA GLU A 67 6.583 3.223 -4.682 1.00 0.00 C ATOM 1208 C GLU A 67 6.158 4.049 -3.470 1.00 0.00 C ATOM 1209 O GLU A 67 5.662 5.167 -3.614 1.00 0.00 O ATOM 1210 CB GLU A 67 5.358 2.579 -5.339 1.00 0.00 C ATOM 1211 CG GLU A 67 4.508 1.758 -4.383 1.00 0.00 C ATOM 1212 CD GLU A 67 3.673 0.710 -5.095 1.00 0.00 C ATOM 1213 OE1 GLU A 67 3.624 0.735 -6.343 1.00 0.00 O ATOM 1214 OE2 GLU A 67 3.067 -0.135 -4.404 1.00 0.00 O ATOM 0 H GLU A 67 7.150 1.334 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 67 7.057 3.891 -5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.740 3.362 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.690 1.939 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.156 1.268 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.850 2.424 -3.825 1.00 0.00 H new ATOM 1221 N LYS A 68 6.358 3.499 -2.276 1.00 0.00 N ATOM 1222 CA LYS A 68 5.997 4.193 -1.044 1.00 0.00 C ATOM 1223 C LYS A 68 6.911 5.389 -0.793 1.00 0.00 C ATOM 1224 O LYS A 68 6.627 6.229 0.062 1.00 0.00 O ATOM 1225 CB LYS A 68 6.059 3.233 0.146 1.00 0.00 C ATOM 1226 CG LYS A 68 5.520 3.827 1.439 1.00 0.00 C ATOM 1227 CD LYS A 68 6.507 3.668 2.585 1.00 0.00 C ATOM 1228 CE LYS A 68 7.196 4.981 2.916 1.00 0.00 C ATOM 1229 NZ LYS A 68 8.490 5.127 2.193 1.00 0.00 N ATOM 0 H LYS A 68 6.768 2.576 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 68 4.977 4.560 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.492 2.333 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.093 2.926 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.302 4.885 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.580 3.341 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.985 3.298 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.255 2.920 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.539 5.811 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.372 5.038 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.677 6.135 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.257 4.728 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.440 4.620 1.286 1.00 0.00 H new ATOM 1243 N GLN A 69 8.005 5.463 -1.541 1.00 0.00 N ATOM 1244 CA GLN A 69 8.955 6.556 -1.396 1.00 0.00 C ATOM 1245 C GLN A 69 8.588 7.719 -2.311 1.00 0.00 C ATOM 1246 O GLN A 69 8.653 8.881 -1.911 1.00 0.00 O ATOM 1247 CB GLN A 69 10.363 6.061 -1.714 1.00 0.00 C ATOM 1248 CG GLN A 69 11.453 6.784 -0.941 1.00 0.00 C ATOM 1249 CD GLN A 69 12.795 6.083 -1.029 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.148 5.285 -0.160 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.549 6.377 -2.080 1.00 0.00 N ATOM 0 H GLN A 69 8.255 4.778 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 69 8.922 6.911 -0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.422 4.995 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.548 6.179 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.552 7.800 -1.324 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.158 6.866 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.216 7.044 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.462 5.936 -2.192 1.00 0.00 H new ATOM 1260 N GLU A 70 8.202 7.398 -3.541 1.00 0.00 N ATOM 1261 CA GLU A 70 7.820 8.417 -4.512 1.00 0.00 C ATOM 1262 C GLU A 70 6.359 8.823 -4.332 1.00 0.00 C ATOM 1263 O GLU A 70 5.955 9.916 -4.729 1.00 0.00 O ATOM 1264 CB GLU A 70 8.049 7.907 -5.936 1.00 0.00 C ATOM 1265 CG GLU A 70 9.430 8.225 -6.483 1.00 0.00 C ATOM 1266 CD GLU A 70 10.019 7.080 -7.285 1.00 0.00 C ATOM 1267 OE1 GLU A 70 9.245 6.203 -7.723 1.00 0.00 O ATOM 1268 OE2 GLU A 70 11.253 7.062 -7.474 1.00 0.00 O ATOM 0 H GLU A 70 8.145 6.441 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 70 8.444 9.294 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.900 6.827 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.298 8.343 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.371 9.112 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.098 8.465 -5.656 1.00 0.00 H new ATOM 1275 N PHE A 71 5.572 7.936 -3.731 1.00 0.00 N ATOM 1276 CA PHE A 71 4.157 8.200 -3.498 1.00 0.00 C ATOM 1277 C PHE A 71 3.961 9.103 -2.283 1.00 0.00 C ATOM 1278 O PHE A 71 2.993 9.859 -2.209 1.00 0.00 O ATOM 1279 CB PHE A 71 3.401 6.887 -3.298 1.00 0.00 C ATOM 1280 CG PHE A 71 1.916 7.062 -3.154 1.00 0.00 C ATOM 1281 CD1 PHE A 71 1.352 7.336 -1.919 1.00 0.00 C ATOM 1282 CD2 PHE A 71 1.085 6.950 -4.256 1.00 0.00 C ATOM 1283 CE1 PHE A 71 -0.014 7.496 -1.785 1.00 0.00 C ATOM 1284 CE2 PHE A 71 -0.283 7.109 -4.129 1.00 0.00 C ATOM 1285 CZ PHE A 71 -0.832 7.382 -2.892 1.00 0.00 C ATOM 0 H PHE A 71 5.891 7.027 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 71 3.760 8.713 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.600 6.230 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.787 6.387 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.987 7.426 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.510 6.736 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.441 7.710 -0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.921 7.020 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.900 7.506 -2.790 1.00 0.00 H new ATOM 1295 N GLU A 72 4.885 9.015 -1.331 1.00 0.00 N ATOM 1296 CA GLU A 72 4.813 9.822 -0.117 1.00 0.00 C ATOM 1297 C GLU A 72 5.348 11.236 -0.350 1.00 0.00 C ATOM 1298 O GLU A 72 5.367 12.057 0.569 1.00 0.00 O ATOM 1299 CB GLU A 72 5.598 9.147 1.011 1.00 0.00 C ATOM 1300 CG GLU A 72 4.713 8.518 2.075 1.00 0.00 C ATOM 1301 CD GLU A 72 5.331 8.584 3.458 1.00 0.00 C ATOM 1302 OE1 GLU A 72 5.185 9.629 4.124 1.00 0.00 O ATOM 1303 OE2 GLU A 72 5.960 7.588 3.876 1.00 0.00 O ATOM 0 H GLU A 72 5.692 8.393 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 72 3.764 9.902 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.242 8.378 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.249 9.884 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.748 9.025 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.522 7.477 1.815 1.00 0.00 H new ATOM 1310 N ARG A 73 5.783 11.519 -1.574 1.00 0.00 N ATOM 1311 CA ARG A 73 6.318 12.835 -1.910 1.00 0.00 C ATOM 1312 C ARG A 73 5.287 13.929 -1.650 1.00 0.00 C ATOM 1313 O ARG A 73 5.527 14.844 -0.862 1.00 0.00 O ATOM 1314 CB ARG A 73 6.759 12.869 -3.375 1.00 0.00 C ATOM 1315 CG ARG A 73 8.142 13.465 -3.580 1.00 0.00 C ATOM 1316 CD ARG A 73 8.891 12.764 -4.701 1.00 0.00 C ATOM 1317 NE ARG A 73 10.339 12.816 -4.509 1.00 0.00 N ATOM 1318 CZ ARG A 73 11.005 12.027 -3.671 1.00 0.00 C ATOM 1319 NH1 ARG A 73 10.358 11.123 -2.944 1.00 0.00 N ATOM 1320 NH2 ARG A 73 12.321 12.140 -3.555 1.00 0.00 N ATOM 0 H ARG A 73 5.776 10.856 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 73 7.182 13.021 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.747 11.854 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.035 13.446 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.051 14.527 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.713 13.387 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.570 11.724 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.635 13.228 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 73 10.870 13.498 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.346 11.032 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.874 10.520 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.824 12.833 -4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.830 11.534 -2.912 1.00 0.00 H new ATOM 1334 N ASN A 74 4.142 13.834 -2.317 1.00 0.00 N ATOM 1335 CA ASN A 74 3.080 14.821 -2.161 1.00 0.00 C ATOM 1336 C ASN A 74 1.982 14.323 -1.217 1.00 0.00 C ATOM 1337 O ASN A 74 1.039 15.054 -0.915 1.00 0.00 O ATOM 1338 CB ASN A 74 2.476 15.168 -3.525 1.00 0.00 C ATOM 1339 CG ASN A 74 2.464 16.661 -3.788 1.00 0.00 C ATOM 1340 OD1 ASN A 74 1.690 17.403 -3.184 1.00 0.00 O ATOM 1341 ND2 ASN A 74 3.322 17.108 -4.698 1.00 0.00 N ATOM 0 H ASN A 74 3.925 13.082 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 74 3.522 15.715 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.045 14.668 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.457 14.784 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.357 18.103 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.946 16.456 -5.174 1.00 0.00 H new ATOM 1348 N LEU A 75 2.105 13.080 -0.758 1.00 0.00 N ATOM 1349 CA LEU A 75 1.115 12.502 0.145 1.00 0.00 C ATOM 1350 C LEU A 75 1.564 12.596 1.604 1.00 0.00 C ATOM 1351 O LEU A 75 0.856 12.153 2.508 1.00 0.00 O ATOM 1352 CB LEU A 75 0.845 11.041 -0.227 1.00 0.00 C ATOM 1353 CG LEU A 75 -0.627 10.623 -0.195 1.00 0.00 C ATOM 1354 CD1 LEU A 75 -1.133 10.554 1.237 1.00 0.00 C ATOM 1355 CD2 LEU A 75 -1.474 11.586 -1.013 1.00 0.00 C ATOM 0 H LEU A 75 2.877 12.457 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 75 0.195 13.076 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.236 10.859 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.403 10.400 0.455 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.710 9.630 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.181 10.255 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.547 9.824 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.034 11.533 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.517 11.272 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.383 12.591 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.129 11.586 -2.047 1.00 0.00 H new ATOM 1367 N ALA A 76 2.741 13.176 1.830 1.00 0.00 N ATOM 1368 CA ALA A 76 3.272 13.323 3.180 1.00 0.00 C ATOM 1369 C ALA A 76 2.595 14.471 3.934 1.00 0.00 C ATOM 1370 O ALA A 76 2.926 14.742 5.088 1.00 0.00 O ATOM 1371 CB ALA A 76 4.776 13.539 3.132 1.00 0.00 C ATOM 0 H ALA A 76 3.343 13.550 1.096 1.00 0.00 H new ATOM 0 HA ALA A 76 3.059 12.402 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.161 13.647 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.251 12.683 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.996 14.442 2.562 1.00 0.00 H new ATOM 1377 N ARG A 77 1.651 15.144 3.279 1.00 0.00 N ATOM 1378 CA ARG A 77 0.937 16.261 3.891 1.00 0.00 C ATOM 1379 C ARG A 77 0.242 15.844 5.188 1.00 0.00 C ATOM 1380 O ARG A 77 -0.127 16.694 5.998 1.00 0.00 O ATOM 1381 CB ARG A 77 -0.087 16.833 2.912 1.00 0.00 C ATOM 1382 CG ARG A 77 0.418 18.045 2.144 1.00 0.00 C ATOM 1383 CD ARG A 77 -0.217 18.134 0.766 1.00 0.00 C ATOM 1384 NE ARG A 77 -1.473 18.882 0.790 1.00 0.00 N ATOM 1385 CZ ARG A 77 -2.041 19.412 -0.289 1.00 0.00 C ATOM 1386 NH1 ARG A 77 -1.471 19.280 -1.482 1.00 0.00 N ATOM 1387 NH2 ARG A 77 -3.184 20.077 -0.178 1.00 0.00 N ATOM 0 H ARG A 77 1.363 14.934 2.323 1.00 0.00 H new ATOM 0 HA ARG A 77 1.672 17.028 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.372 16.056 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.987 17.110 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.197 18.952 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.502 17.988 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.478 18.614 0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.400 17.129 0.386 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.941 19.005 1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.593 18.770 -1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.912 19.689 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.627 20.181 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.620 20.484 -1.006 1.00 0.00 H new ATOM 1401 N PHE A 78 0.062 14.536 5.383 1.00 0.00 N ATOM 1402 CA PHE A 78 -0.592 14.016 6.584 1.00 0.00 C ATOM 1403 C PHE A 78 -0.078 14.714 7.845 1.00 0.00 C ATOM 1404 O PHE A 78 -0.804 14.862 8.827 1.00 0.00 O ATOM 1405 CB PHE A 78 -0.365 12.507 6.695 1.00 0.00 C ATOM 1406 CG PHE A 78 1.047 12.137 7.053 1.00 0.00 C ATOM 1407 CD1 PHE A 78 2.010 11.994 6.068 1.00 0.00 C ATOM 1408 CD2 PHE A 78 1.413 11.936 8.375 1.00 0.00 C ATOM 1409 CE1 PHE A 78 3.310 11.656 6.393 1.00 0.00 C ATOM 1410 CE2 PHE A 78 2.710 11.600 8.707 1.00 0.00 C ATOM 1411 CZ PHE A 78 3.662 11.459 7.714 1.00 0.00 C ATOM 0 H PHE A 78 0.361 13.817 4.723 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.660 14.216 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.040 12.101 7.448 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.626 12.038 5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.742 12.149 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.674 12.044 9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.050 11.546 5.614 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.981 11.447 9.741 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.678 11.196 7.971 1.00 0.00 H new ATOM 1421 N ARG A 79 1.180 15.136 7.804 1.00 0.00 N ATOM 1422 CA ARG A 79 1.802 15.814 8.936 1.00 0.00 C ATOM 1423 C ARG A 79 1.024 17.067 9.335 1.00 0.00 C ATOM 1424 O ARG A 79 1.134 17.541 10.466 1.00 0.00 O ATOM 1425 CB ARG A 79 3.244 16.184 8.590 1.00 0.00 C ATOM 1426 CG ARG A 79 4.280 15.416 9.393 1.00 0.00 C ATOM 1427 CD ARG A 79 5.493 16.278 9.708 1.00 0.00 C ATOM 1428 NE ARG A 79 6.736 15.515 9.643 1.00 0.00 N ATOM 1429 CZ ARG A 79 7.941 16.046 9.841 1.00 0.00 C ATOM 1430 NH1 ARG A 79 8.068 17.338 10.114 1.00 0.00 N ATOM 1431 NH2 ARG A 79 9.022 15.281 9.764 1.00 0.00 N ATOM 0 H ARG A 79 1.792 15.020 6.996 1.00 0.00 H new ATOM 0 HA ARG A 79 1.793 15.130 9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.412 16.002 7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.386 17.252 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.833 15.062 10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.594 14.534 8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.540 17.109 9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.383 16.709 10.703 1.00 0.00 H new ATOM 0 HE ARG A 79 6.678 14.518 9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.240 17.931 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.994 17.739 10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.930 14.287 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.946 15.687 9.915 1.00 0.00 H new ATOM 1445 N GLU A 80 0.244 17.604 8.400 1.00 0.00 N ATOM 1446 CA GLU A 80 -0.545 18.807 8.655 1.00 0.00 C ATOM 1447 C GLU A 80 -1.300 18.709 9.979 1.00 0.00 C ATOM 1448 O GLU A 80 -1.123 19.542 10.868 1.00 0.00 O ATOM 1449 CB GLU A 80 -1.530 19.048 7.507 1.00 0.00 C ATOM 1450 CG GLU A 80 -1.174 20.248 6.644 1.00 0.00 C ATOM 1451 CD GLU A 80 -0.781 19.857 5.232 1.00 0.00 C ATOM 1452 OE1 GLU A 80 0.265 19.195 5.070 1.00 0.00 O ATOM 1453 OE2 GLU A 80 -1.519 20.212 4.290 1.00 0.00 O ATOM 0 H GLU A 80 0.141 17.225 7.459 1.00 0.00 H new ATOM 0 HA GLU A 80 0.144 19.649 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.569 18.158 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.529 19.191 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.025 20.928 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.352 20.793 7.108 1.00 0.00 H new ATOM 1460 N ASP A 81 -2.143 17.689 10.104 1.00 0.00 N ATOM 1461 CA ASP A 81 -2.925 17.489 11.319 1.00 0.00 C ATOM 1462 C ASP A 81 -2.390 16.309 12.125 1.00 0.00 C ATOM 1463 O ASP A 81 -2.388 15.173 11.653 1.00 0.00 O ATOM 1464 CB ASP A 81 -4.397 17.260 10.973 1.00 0.00 C ATOM 1465 CG ASP A 81 -5.001 18.426 10.215 1.00 0.00 C ATOM 1466 OD1 ASP A 81 -4.293 19.017 9.372 1.00 0.00 O ATOM 1467 OD2 ASP A 81 -6.181 18.747 10.463 1.00 0.00 O ATOM 0 H ASP A 81 -2.302 16.989 9.380 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.838 18.389 11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.490 16.354 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.962 17.095 11.891 1.00 0.00 H new ATOM 1472 N HIS A 82 -1.942 16.588 13.345 1.00 0.00 N ATOM 1473 CA HIS A 82 -1.408 15.550 14.218 1.00 0.00 C ATOM 1474 C HIS A 82 -2.531 14.679 14.779 1.00 0.00 C ATOM 1475 O HIS A 82 -2.571 13.472 14.540 1.00 0.00 O ATOM 1476 CB HIS A 82 -0.613 16.178 15.365 1.00 0.00 C ATOM 1477 CG HIS A 82 0.858 16.271 15.094 1.00 0.00 C ATOM 1478 ND1 HIS A 82 1.618 17.369 15.440 1.00 0.00 N ATOM 1479 CD2 HIS A 82 1.709 15.395 14.511 1.00 0.00 C ATOM 1480 CE1 HIS A 82 2.873 17.163 15.081 1.00 0.00 C ATOM 1481 NE2 HIS A 82 2.954 15.975 14.515 1.00 0.00 N ATOM 0 H HIS A 82 -1.938 17.524 13.751 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.744 14.919 13.627 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.002 17.177 15.561 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.771 15.591 16.270 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.456 14.422 14.116 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.693 17.851 15.226 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.804 15.554 14.140 1.00 0.00 H new ATOM 1490 N PRO A 83 -3.466 15.283 15.539 1.00 0.00 N ATOM 1491 CA PRO A 83 -4.590 14.553 16.131 1.00 0.00 C ATOM 1492 C PRO A 83 -5.630 14.147 15.092 1.00 0.00 C ATOM 1493 O PRO A 83 -5.464 14.408 13.901 1.00 0.00 O ATOM 1494 CB PRO A 83 -5.184 15.562 17.117 1.00 0.00 C ATOM 1495 CG PRO A 83 -4.830 16.893 16.551 1.00 0.00 C ATOM 1496 CD PRO A 83 -3.497 16.719 15.876 1.00 0.00 C ATOM 0 HA PRO A 83 -4.272 13.619 16.594 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.264 15.443 17.204 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.768 15.432 18.116 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.586 17.228 15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.774 17.648 17.336 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.414 17.342 14.986 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.674 16.994 16.536 1.00 0.00 H new ATOM 1504 N ASP A 84 -6.700 13.506 15.552 1.00 0.00 N ATOM 1505 CA ASP A 84 -7.767 13.065 14.661 1.00 0.00 C ATOM 1506 C ASP A 84 -9.115 13.083 15.373 1.00 0.00 C ATOM 1507 O ASP A 84 -9.259 12.537 16.466 1.00 0.00 O ATOM 1508 CB ASP A 84 -7.472 11.658 14.139 1.00 0.00 C ATOM 1509 CG ASP A 84 -6.053 11.513 13.627 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -5.118 11.527 14.456 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -5.876 11.383 12.397 1.00 0.00 O ATOM 0 H ASP A 84 -6.851 13.281 16.535 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.813 13.757 13.820 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.642 10.935 14.937 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.170 11.418 13.337 1.00 0.00 H new ATOM 1516 N LEU A 85 -10.101 13.715 14.744 1.00 0.00 N ATOM 1517 CA LEU A 85 -11.440 13.802 15.316 1.00 0.00 C ATOM 1518 C LEU A 85 -12.502 13.847 14.219 1.00 0.00 C ATOM 1519 O LEU A 85 -13.602 14.358 14.429 1.00 0.00 O ATOM 1520 CB LEU A 85 -11.558 15.040 16.207 1.00 0.00 C ATOM 1521 CG LEU A 85 -10.971 16.323 15.616 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -11.633 17.546 16.232 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -9.465 16.367 15.827 1.00 0.00 C ATOM 0 H LEU A 85 -9.998 14.174 13.839 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.607 12.910 15.920 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.612 15.210 16.429 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.061 14.835 17.155 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.168 16.330 14.544 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.203 18.449 15.800 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.704 17.521 16.029 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.468 17.545 17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.065 17.287 15.400 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.246 16.337 16.894 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.004 15.509 15.338 1.00 0.00 H new ATOM 1535 N ILE A 86 -12.164 13.310 13.051 1.00 0.00 N ATOM 1536 CA ILE A 86 -13.088 13.289 11.923 1.00 0.00 C ATOM 1537 C ILE A 86 -12.823 12.084 11.026 1.00 0.00 C ATOM 1538 O ILE A 86 -13.713 11.271 10.780 1.00 0.00 O ATOM 1539 CB ILE A 86 -12.978 14.575 11.084 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -12.957 15.807 11.991 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -14.130 14.660 10.094 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -12.867 17.115 11.235 1.00 0.00 C ATOM 0 H ILE A 86 -11.257 12.884 12.861 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.095 13.220 12.335 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.043 14.545 10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -13.859 15.812 12.603 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.109 15.732 12.672 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.039 15.574 9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.102 13.798 9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -15.076 14.669 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.857 17.944 11.942 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.952 17.131 10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.728 17.213 10.574 1.00 0.00 H new ATOM 1554 N GLN A 87 -11.589 11.975 10.544 1.00 0.00 N ATOM 1555 CA GLN A 87 -11.193 10.870 9.678 1.00 0.00 C ATOM 1556 C GLN A 87 -11.921 10.927 8.336 1.00 0.00 C ATOM 1557 O GLN A 87 -13.011 10.375 8.187 1.00 0.00 O ATOM 1558 CB GLN A 87 -11.472 9.529 10.363 1.00 0.00 C ATOM 1559 CG GLN A 87 -10.627 8.385 9.826 1.00 0.00 C ATOM 1560 CD GLN A 87 -9.790 7.719 10.901 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -9.974 6.543 11.208 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -8.863 8.474 11.482 1.00 0.00 N ATOM 0 H GLN A 87 -10.843 12.642 10.740 1.00 0.00 H new ATOM 0 HA GLN A 87 -10.123 10.963 9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.291 9.632 11.433 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.526 9.280 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.279 7.642 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.970 8.761 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.744 9.446 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.270 8.081 12.214 1.00 0.00 H new ATOM 1571 N ASN A 88 -11.304 11.593 7.364 1.00 0.00 N ATOM 1572 CA ASN A 88 -11.876 11.727 6.024 1.00 0.00 C ATOM 1573 C ASN A 88 -13.044 12.711 6.014 1.00 0.00 C ATOM 1574 O ASN A 88 -13.053 13.670 5.244 1.00 0.00 O ATOM 1575 CB ASN A 88 -12.330 10.364 5.491 1.00 0.00 C ATOM 1576 CG ASN A 88 -11.536 9.926 4.274 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -12.017 10.004 3.144 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -10.312 9.465 4.502 1.00 0.00 N ATOM 0 H ASN A 88 -10.401 12.052 7.479 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.096 12.119 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.227 9.616 6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.388 10.412 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.729 9.158 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.954 9.418 5.456 1.00 0.00 H new ATOM 1585 N ALA A 89 -14.030 12.462 6.870 1.00 0.00 N ATOM 1586 CA ALA A 89 -15.204 13.325 6.955 1.00 0.00 C ATOM 1587 C ALA A 89 -14.807 14.778 7.193 1.00 0.00 C ATOM 1588 O ALA A 89 -13.622 15.113 7.213 1.00 0.00 O ATOM 1589 CB ALA A 89 -16.134 12.842 8.058 1.00 0.00 C ATOM 0 H ALA A 89 -14.040 11.671 7.514 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.730 13.274 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.006 13.494 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.456 11.823 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.608 12.862 9.012 1.00 0.00 H new ATOM 1595 N LYS A 90 -15.803 15.637 7.373 1.00 0.00 N ATOM 1596 CA LYS A 90 -15.556 17.055 7.609 1.00 0.00 C ATOM 1597 C LYS A 90 -16.398 17.567 8.775 1.00 0.00 C ATOM 1598 O LYS A 90 -15.896 18.265 9.655 1.00 0.00 O ATOM 1599 CB LYS A 90 -15.861 17.864 6.345 1.00 0.00 C ATOM 1600 CG LYS A 90 -14.622 18.452 5.689 1.00 0.00 C ATOM 1601 CD LYS A 90 -14.406 19.899 6.102 1.00 0.00 C ATOM 1602 CE LYS A 90 -12.941 20.183 6.392 1.00 0.00 C ATOM 1603 NZ LYS A 90 -12.722 21.592 6.819 1.00 0.00 N ATOM 0 H LYS A 90 -16.789 15.377 7.360 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.504 17.179 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.373 17.223 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.548 18.672 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.749 17.860 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.720 18.393 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.756 20.561 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.002 20.119 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.588 19.508 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.348 19.978 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.711 21.745 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.035 22.236 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.267 21.781 7.684 1.00 0.00 H new ATOM 1617 N LYS A 91 -17.679 17.216 8.772 1.00 0.00 N ATOM 1618 CA LYS A 91 -18.589 17.641 9.829 1.00 0.00 C ATOM 1619 C LYS A 91 -19.657 16.582 10.086 1.00 0.00 C ATOM 1620 O LYS A 91 -19.507 15.454 9.571 1.00 0.00 O ATOM 1621 CB LYS A 91 -19.249 18.972 9.457 1.00 0.00 C ATOM 1622 CG LYS A 91 -18.656 20.168 10.184 1.00 0.00 C ATOM 1623 CD LYS A 91 -19.733 21.160 10.596 1.00 0.00 C ATOM 1624 CE LYS A 91 -19.189 22.577 10.669 1.00 0.00 C ATOM 1625 NZ LYS A 91 -19.387 23.178 12.016 1.00 0.00 N ATOM 0 H LYS A 91 -18.110 16.639 8.050 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.010 17.774 10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.155 19.127 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.315 18.914 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.117 19.827 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.930 20.664 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.556 21.122 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -20.139 20.875 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.126 22.571 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.683 23.195 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.003 24.144 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.403 23.207 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.894 22.603 12.729 1.00 0.00 H new TER 1639 LYS A 91