USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 725 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 46 LYS NZ :NH3+ 157:sc= -0.0117 (180deg=0) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.326 K(o=-0.34,f=-3.5!) USER MOD Set 2.1: A 36 THR OG1 : rot -112:sc= 1.16 USER MOD Set 2.2: A 38 GLN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 9 THR OG1 : rot -50:sc= 0.421 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -15:sc= -0.758 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 76:sc= -0.168 USER MOD Single : A 22 MET CE :methyl -174:sc= -0.425 (180deg=-0.562) USER MOD Single : A 23 THR OG1 : rot 69:sc= -3.37! USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.289 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0545) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0026 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0388) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 49 SER OG : rot -54:sc= 0.239 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.454 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.97 K(o=-2,f=-6.9!) USER MOD Single : A 67 SER OG : rot 136:sc= 0.433 USER MOD Single : A 70 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.4!) USER MOD Single : A 74 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ 152:sc= -0.0613 (180deg=-0.758) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00414 USER MOD Single : A 78 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.008) USER MOD Single : A 85 THR OG1 : rot -170:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.152 -15.536 4.674 1.00 0.00 N ATOM 2 CA MET A 1 -15.639 -15.563 4.680 1.00 0.00 C ATOM 3 C MET A 1 -16.167 -16.940 4.283 1.00 0.00 C ATOM 4 O MET A 1 -16.424 -17.198 3.108 1.00 0.00 O ATOM 5 CB MET A 1 -16.149 -14.499 3.707 1.00 0.00 C ATOM 6 CG MET A 1 -16.084 -13.085 4.262 1.00 0.00 C ATOM 7 SD MET A 1 -15.549 -11.878 3.032 1.00 0.00 S ATOM 8 CE MET A 1 -17.029 -10.883 2.870 1.00 0.00 C ATOM 0 H1 MET A 1 -13.821 -14.589 4.947 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.789 -16.238 5.350 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.805 -15.762 3.720 1.00 0.00 H new ATOM 0 HA MET A 1 -15.998 -15.353 5.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.563 -14.547 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.180 -14.728 3.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.067 -12.802 4.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.398 -13.063 5.109 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.857 -10.090 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.855 -11.511 2.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.278 -10.441 3.835 1.00 0.00 H new ATOM 20 N PRO A 2 -16.338 -17.844 5.263 1.00 0.00 N ATOM 21 CA PRO A 2 -16.839 -19.198 5.009 1.00 0.00 C ATOM 22 C PRO A 2 -18.311 -19.205 4.613 1.00 0.00 C ATOM 23 O PRO A 2 -18.715 -19.927 3.701 1.00 0.00 O ATOM 24 CB PRO A 2 -16.642 -19.909 6.350 1.00 0.00 C ATOM 25 CG PRO A 2 -16.664 -18.818 7.364 1.00 0.00 C ATOM 26 CD PRO A 2 -16.055 -17.616 6.693 1.00 0.00 C ATOM 0 HA PRO A 2 -16.319 -19.676 4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.434 -20.636 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.698 -20.453 6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.683 -18.609 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.097 -19.099 8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -16.502 -16.688 7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.984 -17.548 6.885 1.00 0.00 H new ATOM 34 N SER A 3 -19.108 -18.397 5.306 1.00 0.00 N ATOM 35 CA SER A 3 -20.537 -18.310 5.026 1.00 0.00 C ATOM 36 C SER A 3 -20.909 -16.923 4.515 1.00 0.00 C ATOM 37 O SER A 3 -20.146 -15.969 4.668 1.00 0.00 O ATOM 38 CB SER A 3 -21.344 -18.636 6.284 1.00 0.00 C ATOM 39 OG SER A 3 -21.680 -20.012 6.333 1.00 0.00 O ATOM 0 H SER A 3 -18.789 -17.794 6.064 1.00 0.00 H new ATOM 0 HA SER A 3 -20.775 -19.038 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.767 -18.368 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.254 -18.036 6.302 1.00 0.00 H new ATOM 0 HG SER A 3 -22.194 -20.194 7.147 1.00 0.00 H new ATOM 45 N ASP A 4 -22.086 -16.818 3.906 1.00 0.00 N ATOM 46 CA ASP A 4 -22.560 -15.546 3.372 1.00 0.00 C ATOM 47 C ASP A 4 -23.862 -15.124 4.044 1.00 0.00 C ATOM 48 O ASP A 4 -24.362 -15.809 4.937 1.00 0.00 O ATOM 49 CB ASP A 4 -22.766 -15.650 1.859 1.00 0.00 C ATOM 50 CG ASP A 4 -23.669 -16.805 1.477 1.00 0.00 C ATOM 51 OD1 ASP A 4 -23.213 -17.966 1.547 1.00 0.00 O ATOM 52 OD2 ASP A 4 -24.835 -16.550 1.106 1.00 0.00 O ATOM 0 H ASP A 4 -22.729 -17.598 3.770 1.00 0.00 H new ATOM 0 HA ASP A 4 -21.803 -14.790 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -23.195 -14.719 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.799 -15.772 1.371 1.00 0.00 H new ATOM 57 N SER A 5 -24.406 -13.992 3.611 1.00 0.00 N ATOM 58 CA SER A 5 -25.650 -13.477 4.171 1.00 0.00 C ATOM 59 C SER A 5 -26.571 -12.961 3.070 1.00 0.00 C ATOM 60 O SER A 5 -27.554 -13.611 2.713 1.00 0.00 O ATOM 61 CB SER A 5 -25.360 -12.360 5.173 1.00 0.00 C ATOM 62 OG SER A 5 -25.236 -12.874 6.489 1.00 0.00 O ATOM 0 H SER A 5 -24.005 -13.413 2.873 1.00 0.00 H new ATOM 0 HA SER A 5 -26.152 -14.296 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.441 -11.845 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.161 -11.622 5.142 1.00 0.00 H new ATOM 0 HG SER A 5 -25.049 -12.140 7.111 1.00 0.00 H new ATOM 68 N LYS A 6 -26.247 -11.789 2.533 1.00 0.00 N ATOM 69 CA LYS A 6 -27.044 -11.185 1.473 1.00 0.00 C ATOM 70 C LYS A 6 -26.219 -11.026 0.198 1.00 0.00 C ATOM 71 O LYS A 6 -25.142 -11.605 0.069 1.00 0.00 O ATOM 72 CB LYS A 6 -27.584 -9.825 1.923 1.00 0.00 C ATOM 73 CG LYS A 6 -29.078 -9.656 1.685 1.00 0.00 C ATOM 74 CD LYS A 6 -29.873 -9.838 2.968 1.00 0.00 C ATOM 75 CE LYS A 6 -31.154 -10.618 2.724 1.00 0.00 C ATOM 76 NZ LYS A 6 -31.518 -11.469 3.891 1.00 0.00 N ATOM 0 H LYS A 6 -25.436 -11.238 2.816 1.00 0.00 H new ATOM 0 HA LYS A 6 -27.884 -11.846 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -27.376 -9.694 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -27.048 -9.037 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -29.272 -8.665 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -29.413 -10.380 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -29.262 -10.360 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -30.115 -8.862 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -31.967 -9.923 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -31.034 -11.245 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -32.397 -11.984 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -30.754 -12.149 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -31.658 -10.868 4.728 1.00 0.00 H new ATOM 90 N LYS A 7 -26.735 -10.238 -0.743 1.00 0.00 N ATOM 91 CA LYS A 7 -26.045 -10.004 -2.007 1.00 0.00 C ATOM 92 C LYS A 7 -24.976 -8.922 -1.851 1.00 0.00 C ATOM 93 O LYS A 7 -25.296 -7.750 -1.650 1.00 0.00 O ATOM 94 CB LYS A 7 -27.049 -9.597 -3.088 1.00 0.00 C ATOM 95 CG LYS A 7 -26.925 -10.409 -4.368 1.00 0.00 C ATOM 96 CD LYS A 7 -27.209 -9.559 -5.596 1.00 0.00 C ATOM 97 CE LYS A 7 -26.088 -8.567 -5.860 1.00 0.00 C ATOM 98 NZ LYS A 7 -25.774 -8.454 -7.311 1.00 0.00 N ATOM 0 H LYS A 7 -27.627 -9.752 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.555 -10.931 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -28.059 -9.707 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -26.911 -8.541 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -25.921 -10.828 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -27.620 -11.248 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.337 -10.205 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -28.147 -9.021 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.371 -7.588 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.194 -8.877 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.005 -7.768 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -25.479 -9.382 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -26.619 -8.133 -7.825 1.00 0.00 H new ATOM 112 N PRO A 8 -23.686 -9.297 -1.943 1.00 0.00 N ATOM 113 CA PRO A 8 -22.577 -8.348 -1.810 1.00 0.00 C ATOM 114 C PRO A 8 -22.369 -7.512 -3.070 1.00 0.00 C ATOM 115 O PRO A 8 -21.800 -6.424 -3.014 1.00 0.00 O ATOM 116 CB PRO A 8 -21.374 -9.255 -1.566 1.00 0.00 C ATOM 117 CG PRO A 8 -21.710 -10.517 -2.283 1.00 0.00 C ATOM 118 CD PRO A 8 -23.204 -10.674 -2.182 1.00 0.00 C ATOM 0 HA PRO A 8 -22.753 -7.621 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.457 -8.811 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.219 -9.432 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -21.393 -10.469 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.198 -11.368 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -23.625 -11.093 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -23.482 -11.343 -1.367 1.00 0.00 H new ATOM 126 N THR A 9 -22.824 -8.038 -4.207 1.00 0.00 N ATOM 127 CA THR A 9 -22.685 -7.351 -5.490 1.00 0.00 C ATOM 128 C THR A 9 -21.262 -6.836 -5.678 1.00 0.00 C ATOM 129 O THR A 9 -21.041 -5.780 -6.269 1.00 0.00 O ATOM 130 CB THR A 9 -23.689 -6.196 -5.596 1.00 0.00 C ATOM 131 OG1 THR A 9 -23.719 -5.681 -6.915 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.389 -5.043 -4.662 1.00 0.00 C ATOM 0 H THR A 9 -23.294 -8.941 -4.265 1.00 0.00 H new ATOM 0 HA THR A 9 -22.897 -8.069 -6.282 1.00 0.00 H new ATOM 0 HB THR A 9 -24.650 -6.626 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.805 -5.493 -7.213 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.140 -4.264 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 9 -23.408 -5.396 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.403 -4.638 -4.889 1.00 0.00 H new ATOM 140 N ILE A 10 -20.304 -7.595 -5.160 1.00 0.00 N ATOM 141 CA ILE A 10 -18.898 -7.232 -5.256 1.00 0.00 C ATOM 142 C ILE A 10 -18.026 -8.471 -5.418 1.00 0.00 C ATOM 143 O ILE A 10 -17.720 -9.159 -4.445 1.00 0.00 O ATOM 144 CB ILE A 10 -18.441 -6.454 -4.005 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.152 -5.101 -3.927 1.00 0.00 C ATOM 146 CG2 ILE A 10 -16.928 -6.267 -4.012 1.00 0.00 C ATOM 147 CD1 ILE A 10 -18.656 -4.095 -4.942 1.00 0.00 C ATOM 0 H ILE A 10 -20.478 -8.471 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.787 -6.596 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.708 -7.034 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.221 -5.253 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.022 -4.689 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.625 -5.716 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.441 -7.242 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.634 -5.709 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.206 -3.161 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.593 -3.913 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.812 -4.486 -5.948 1.00 0.00 H new ATOM 159 N ILE A 11 -17.627 -8.748 -6.653 1.00 0.00 N ATOM 160 CA ILE A 11 -16.786 -9.901 -6.933 1.00 0.00 C ATOM 161 C ILE A 11 -15.772 -9.588 -8.023 1.00 0.00 C ATOM 162 O ILE A 11 -16.086 -9.634 -9.213 1.00 0.00 O ATOM 163 CB ILE A 11 -17.629 -11.116 -7.365 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.816 -11.303 -6.419 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.768 -12.371 -7.410 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.426 -11.789 -5.038 1.00 0.00 C ATOM 0 H ILE A 11 -17.872 -8.192 -7.472 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.259 -10.142 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.017 -10.934 -8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.346 -10.355 -6.324 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.513 -12.015 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.378 -13.220 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.957 -12.230 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.351 -12.562 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.320 -11.898 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.923 -12.752 -5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.754 -11.067 -4.575 1.00 0.00 H new ATOM 178 N TYR A 12 -14.550 -9.283 -7.608 1.00 0.00 N ATOM 179 CA TYR A 12 -13.477 -8.976 -8.546 1.00 0.00 C ATOM 180 C TYR A 12 -12.124 -9.395 -7.978 1.00 0.00 C ATOM 181 O TYR A 12 -11.440 -8.605 -7.327 1.00 0.00 O ATOM 182 CB TYR A 12 -13.462 -7.480 -8.878 1.00 0.00 C ATOM 183 CG TYR A 12 -13.820 -6.580 -7.711 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.448 -6.906 -6.411 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.526 -5.400 -7.913 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.772 -6.083 -5.348 1.00 0.00 C ATOM 187 CE2 TYR A 12 -14.852 -4.573 -6.855 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.472 -4.918 -5.576 1.00 0.00 C ATOM 189 OH TYR A 12 -14.795 -4.097 -4.519 1.00 0.00 O ATOM 0 H TYR A 12 -14.276 -9.241 -6.626 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.661 -9.539 -9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.470 -7.210 -9.240 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.160 -7.293 -9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.897 -7.817 -6.229 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -14.825 -5.125 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.478 -6.352 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -15.402 -3.660 -7.030 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.676 -4.585 -3.678 1.00 0.00 H new ATOM 199 N PRO A 13 -11.711 -10.647 -8.226 1.00 0.00 N ATOM 200 CA PRO A 13 -10.438 -11.158 -7.737 1.00 0.00 C ATOM 201 C PRO A 13 -9.280 -10.784 -8.652 1.00 0.00 C ATOM 202 O PRO A 13 -8.698 -11.640 -9.319 1.00 0.00 O ATOM 203 CB PRO A 13 -10.666 -12.664 -7.734 1.00 0.00 C ATOM 204 CG PRO A 13 -11.585 -12.899 -8.886 1.00 0.00 C ATOM 205 CD PRO A 13 -12.451 -11.665 -8.998 1.00 0.00 C ATOM 0 HA PRO A 13 -10.164 -10.750 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.729 -13.209 -7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.110 -12.997 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.022 -13.063 -9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.194 -13.788 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.584 -11.362 -10.037 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.446 -11.835 -8.586 1.00 0.00 H new ATOM 213 N CYS A 14 -8.958 -9.496 -8.686 1.00 0.00 N ATOM 214 CA CYS A 14 -7.872 -9.006 -9.528 1.00 0.00 C ATOM 215 C CYS A 14 -7.044 -7.948 -8.805 1.00 0.00 C ATOM 216 O CYS A 14 -7.415 -7.482 -7.728 1.00 0.00 O ATOM 217 CB CYS A 14 -8.432 -8.430 -10.830 1.00 0.00 C ATOM 218 SG CYS A 14 -8.569 -9.632 -12.172 1.00 0.00 S ATOM 0 H CYS A 14 -9.431 -8.774 -8.143 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.220 -9.849 -9.758 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.417 -8.008 -10.633 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.793 -7.609 -11.156 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.054 -9.050 -13.228 1.00 0.00 H new ATOM 224 N LEU A 15 -5.922 -7.574 -9.410 1.00 0.00 N ATOM 225 CA LEU A 15 -5.037 -6.570 -8.831 1.00 0.00 C ATOM 226 C LEU A 15 -5.598 -5.168 -9.043 1.00 0.00 C ATOM 227 O LEU A 15 -5.719 -4.702 -10.175 1.00 0.00 O ATOM 228 CB LEU A 15 -3.642 -6.671 -9.453 1.00 0.00 C ATOM 229 CG LEU A 15 -2.688 -7.643 -8.755 1.00 0.00 C ATOM 230 CD1 LEU A 15 -2.273 -7.101 -7.394 1.00 0.00 C ATOM 231 CD2 LEU A 15 -3.332 -9.015 -8.615 1.00 0.00 C ATOM 0 H LEU A 15 -5.604 -7.952 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.965 -6.757 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.747 -6.974 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.189 -5.680 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.793 -7.747 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.595 -7.806 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.769 -6.143 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.157 -6.966 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.639 -9.693 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.244 -8.930 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.574 -9.406 -9.603 1.00 0.00 H new ATOM 243 N TRP A 16 -5.938 -4.500 -7.946 1.00 0.00 N ATOM 244 CA TRP A 16 -6.486 -3.151 -8.013 1.00 0.00 C ATOM 245 C TRP A 16 -5.500 -2.133 -7.448 1.00 0.00 C ATOM 246 O TRP A 16 -4.823 -2.395 -6.454 1.00 0.00 O ATOM 247 CB TRP A 16 -7.810 -3.075 -7.250 1.00 0.00 C ATOM 248 CG TRP A 16 -8.647 -1.893 -7.628 1.00 0.00 C ATOM 249 CD1 TRP A 16 -9.047 -0.876 -6.810 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.188 -1.603 -8.923 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.804 0.028 -7.516 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.904 -0.396 -8.815 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.136 -2.248 -10.162 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.563 0.178 -9.900 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.788 -1.676 -11.239 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.493 -0.474 -11.102 1.00 0.00 C ATOM 0 H TRP A 16 -5.844 -4.871 -7.000 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.666 -2.912 -9.061 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.379 -3.987 -7.432 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.603 -3.037 -6.181 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.804 -0.794 -5.761 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.223 0.876 -7.135 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.596 -3.176 -10.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.109 1.104 -9.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.753 -2.164 -12.202 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.992 -0.052 -11.962 1.00 0.00 H new ATOM 267 N ASP A 17 -5.429 -0.970 -8.088 1.00 0.00 N ATOM 268 CA ASP A 17 -4.529 0.090 -7.650 1.00 0.00 C ATOM 269 C ASP A 17 -5.273 1.113 -6.798 1.00 0.00 C ATOM 270 O ASP A 17 -6.455 1.375 -7.020 1.00 0.00 O ATOM 271 CB ASP A 17 -3.892 0.780 -8.858 1.00 0.00 C ATOM 272 CG ASP A 17 -4.918 1.183 -9.899 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.638 0.293 -10.398 1.00 0.00 O ATOM 274 OD2 ASP A 17 -4.999 2.389 -10.215 1.00 0.00 O ATOM 0 H ASP A 17 -5.984 -0.738 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.743 -0.360 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.350 1.665 -8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.161 0.111 -9.312 1.00 0.00 H new ATOM 279 N TYR A 18 -4.577 1.688 -5.823 1.00 0.00 N ATOM 280 CA TYR A 18 -5.178 2.682 -4.942 1.00 0.00 C ATOM 281 C TYR A 18 -4.313 3.933 -4.859 1.00 0.00 C ATOM 282 O TYR A 18 -3.253 3.928 -4.231 1.00 0.00 O ATOM 283 CB TYR A 18 -5.381 2.095 -3.544 1.00 0.00 C ATOM 284 CG TYR A 18 -6.284 0.883 -3.520 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.663 1.022 -3.410 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.759 -0.399 -3.607 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.490 -0.084 -3.389 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.581 -1.510 -3.586 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.946 -1.347 -3.477 1.00 0.00 C ATOM 290 OH TYR A 18 -8.768 -2.449 -3.455 1.00 0.00 O ATOM 0 H TYR A 18 -3.598 1.483 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.146 2.961 -5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.410 1.822 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.801 2.863 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.094 2.010 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.690 -0.531 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.559 0.041 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.156 -2.501 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.217 -2.540 -4.322 1.00 0.00 H new ATOM 300 N ARG A 19 -4.772 5.007 -5.495 1.00 0.00 N ATOM 301 CA ARG A 19 -4.042 6.268 -5.489 1.00 0.00 C ATOM 302 C ARG A 19 -4.252 7.003 -4.170 1.00 0.00 C ATOM 303 O ARG A 19 -5.277 7.653 -3.965 1.00 0.00 O ATOM 304 CB ARG A 19 -4.489 7.146 -6.660 1.00 0.00 C ATOM 305 CG ARG A 19 -3.336 7.673 -7.501 1.00 0.00 C ATOM 306 CD ARG A 19 -3.096 9.154 -7.258 1.00 0.00 C ATOM 307 NE ARG A 19 -2.775 9.867 -8.492 1.00 0.00 N ATOM 308 CZ ARG A 19 -2.826 11.190 -8.619 1.00 0.00 C ATOM 309 NH1 ARG A 19 -3.183 11.949 -7.591 1.00 0.00 N ATOM 310 NH2 ARG A 19 -2.520 11.758 -9.778 1.00 0.00 N ATOM 0 H ARG A 19 -5.646 5.028 -6.021 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.980 6.051 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.160 6.572 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.061 7.990 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.430 7.114 -7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.550 7.507 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.984 9.595 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.280 9.277 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.495 9.318 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.420 11.518 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.220 12.963 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.245 11.180 -10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.559 12.773 -9.875 1.00 0.00 H new ATOM 324 N VAL A 20 -3.275 6.893 -3.277 1.00 0.00 N ATOM 325 CA VAL A 20 -3.354 7.543 -1.973 1.00 0.00 C ATOM 326 C VAL A 20 -2.324 8.659 -1.852 1.00 0.00 C ATOM 327 O VAL A 20 -1.121 8.422 -1.960 1.00 0.00 O ATOM 328 CB VAL A 20 -3.134 6.536 -0.831 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.440 7.177 0.514 1.00 0.00 C ATOM 330 CG2 VAL A 20 -3.985 5.292 -1.041 1.00 0.00 C ATOM 0 H VAL A 20 -2.419 6.360 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.356 7.965 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.086 6.236 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.279 6.449 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.783 8.033 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.478 7.509 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.815 4.592 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.038 5.572 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.712 4.820 -1.985 1.00 0.00 H new ATOM 340 N ILE A 21 -2.801 9.880 -1.627 1.00 0.00 N ATOM 341 CA ILE A 21 -1.917 11.031 -1.488 1.00 0.00 C ATOM 342 C ILE A 21 -1.895 11.537 -0.051 1.00 0.00 C ATOM 343 O ILE A 21 -2.941 11.683 0.582 1.00 0.00 O ATOM 344 CB ILE A 21 -2.335 12.193 -2.414 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.865 11.683 -3.764 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.168 13.146 -2.623 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.100 10.506 -4.340 1.00 0.00 C ATOM 0 H ILE A 21 -3.794 10.097 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.922 10.690 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.148 12.730 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.910 11.397 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.839 12.502 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.476 13.961 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.853 13.552 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.337 12.609 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.544 10.214 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.059 10.790 -4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.146 9.667 -3.646 1.00 0.00 H new ATOM 359 N MET A 22 -0.697 11.809 0.459 1.00 0.00 N ATOM 360 CA MET A 22 -0.543 12.303 1.819 1.00 0.00 C ATOM 361 C MET A 22 -0.047 13.743 1.817 1.00 0.00 C ATOM 362 O MET A 22 0.728 14.143 0.947 1.00 0.00 O ATOM 363 CB MET A 22 0.428 11.420 2.606 1.00 0.00 C ATOM 364 CG MET A 22 0.320 9.935 2.286 1.00 0.00 C ATOM 365 SD MET A 22 1.927 9.163 2.013 1.00 0.00 S ATOM 366 CE MET A 22 1.428 7.530 1.471 1.00 0.00 C ATOM 0 H MET A 22 0.179 11.695 -0.051 1.00 0.00 H new ATOM 0 HA MET A 22 -1.520 12.270 2.301 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.447 11.751 2.405 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.251 11.564 3.672 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.188 9.427 3.106 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.298 9.803 1.398 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.309 6.897 1.364 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.754 7.093 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.917 7.606 0.511 1.00 0.00 H new ATOM 376 N THR A 23 -0.499 14.519 2.795 1.00 0.00 N ATOM 377 CA THR A 23 -0.103 15.917 2.907 1.00 0.00 C ATOM 378 C THR A 23 0.589 16.183 4.242 1.00 0.00 C ATOM 379 O THR A 23 0.043 16.855 5.117 1.00 0.00 O ATOM 380 CB THR A 23 -1.326 16.825 2.753 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.074 16.876 3.955 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.265 16.383 1.650 1.00 0.00 C ATOM 0 H THR A 23 -1.141 14.203 3.522 1.00 0.00 H new ATOM 0 HA THR A 23 0.605 16.137 2.108 1.00 0.00 H new ATOM 0 HB THR A 23 -0.923 17.805 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.562 17.357 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.110 17.069 1.595 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.734 16.384 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.628 15.377 1.862 1.00 0.00 H new ATOM 390 N THR A 24 1.797 15.649 4.393 1.00 0.00 N ATOM 391 CA THR A 24 2.563 15.827 5.622 1.00 0.00 C ATOM 392 C THR A 24 4.053 15.950 5.322 1.00 0.00 C ATOM 393 O THR A 24 4.505 15.633 4.222 1.00 0.00 O ATOM 394 CB THR A 24 2.317 14.655 6.574 1.00 0.00 C ATOM 395 OG1 THR A 24 0.982 14.194 6.467 1.00 0.00 O ATOM 396 CG2 THR A 24 2.569 15.001 8.024 1.00 0.00 C ATOM 0 H THR A 24 2.266 15.090 3.680 1.00 0.00 H new ATOM 0 HA THR A 24 2.230 16.749 6.098 1.00 0.00 H new ATOM 0 HB THR A 24 3.026 13.884 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.491 14.422 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.376 14.127 8.646 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.606 15.313 8.149 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.907 15.813 8.325 1.00 0.00 H new ATOM 404 N LYS A 25 4.812 16.414 6.310 1.00 0.00 N ATOM 405 CA LYS A 25 6.253 16.580 6.156 1.00 0.00 C ATOM 406 C LYS A 25 7.019 15.447 6.837 1.00 0.00 C ATOM 407 O LYS A 25 8.230 15.315 6.661 1.00 0.00 O ATOM 408 CB LYS A 25 6.695 17.926 6.734 1.00 0.00 C ATOM 409 CG LYS A 25 5.823 19.091 6.296 1.00 0.00 C ATOM 410 CD LYS A 25 6.549 20.418 6.451 1.00 0.00 C ATOM 411 CE LYS A 25 6.082 21.431 5.418 1.00 0.00 C ATOM 412 NZ LYS A 25 4.621 21.693 5.515 1.00 0.00 N ATOM 0 H LYS A 25 4.453 16.682 7.226 1.00 0.00 H new ATOM 0 HA LYS A 25 6.480 16.552 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.686 17.865 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.725 18.121 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.528 18.955 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.908 19.104 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.378 20.813 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.623 20.261 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.628 22.365 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.319 21.066 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.371 22.495 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.096 20.848 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.374 21.920 6.499 1.00 0.00 H new ATOM 426 N ASP A 26 6.312 14.633 7.616 1.00 0.00 N ATOM 427 CA ASP A 26 6.933 13.518 8.319 1.00 0.00 C ATOM 428 C ASP A 26 6.417 12.182 7.790 1.00 0.00 C ATOM 429 O ASP A 26 6.107 11.274 8.562 1.00 0.00 O ATOM 430 CB ASP A 26 6.664 13.627 9.821 1.00 0.00 C ATOM 431 CG ASP A 26 7.860 13.213 10.655 1.00 0.00 C ATOM 432 OD1 ASP A 26 7.964 12.013 10.987 1.00 0.00 O ATOM 433 OD2 ASP A 26 8.690 14.087 10.976 1.00 0.00 O ATOM 0 H ASP A 26 5.309 14.726 7.775 1.00 0.00 H new ATOM 0 HA ASP A 26 8.008 13.562 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.393 14.654 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.810 13.002 10.080 1.00 0.00 H new ATOM 438 N THR A 27 6.329 12.071 6.469 1.00 0.00 N ATOM 439 CA THR A 27 5.851 10.846 5.833 1.00 0.00 C ATOM 440 C THR A 27 6.941 9.774 5.800 1.00 0.00 C ATOM 441 O THR A 27 6.693 8.643 5.383 1.00 0.00 O ATOM 442 CB THR A 27 5.368 11.141 4.412 1.00 0.00 C ATOM 443 OG1 THR A 27 6.461 11.458 3.568 1.00 0.00 O ATOM 444 CG2 THR A 27 4.383 12.286 4.341 1.00 0.00 C ATOM 0 H THR A 27 6.582 12.813 5.817 1.00 0.00 H new ATOM 0 HA THR A 27 5.018 10.466 6.425 1.00 0.00 H new ATOM 0 HB THR A 27 4.865 10.232 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.133 11.642 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.081 12.442 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.506 12.049 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.851 13.193 4.723 1.00 0.00 H new ATOM 452 N SER A 28 8.147 10.132 6.240 1.00 0.00 N ATOM 453 CA SER A 28 9.266 9.194 6.254 1.00 0.00 C ATOM 454 C SER A 28 8.876 7.882 6.931 1.00 0.00 C ATOM 455 O SER A 28 9.409 6.821 6.603 1.00 0.00 O ATOM 456 CB SER A 28 10.466 9.812 6.973 1.00 0.00 C ATOM 457 OG SER A 28 10.745 11.111 6.478 1.00 0.00 O ATOM 0 H SER A 28 8.373 11.063 6.590 1.00 0.00 H new ATOM 0 HA SER A 28 9.537 8.980 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.266 9.863 8.043 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.340 9.174 6.842 1.00 0.00 H new ATOM 0 HG SER A 28 11.515 11.485 6.955 1.00 0.00 H new ATOM 463 N THR A 29 7.944 7.961 7.875 1.00 0.00 N ATOM 464 CA THR A 29 7.483 6.780 8.594 1.00 0.00 C ATOM 465 C THR A 29 6.637 5.889 7.690 1.00 0.00 C ATOM 466 O THR A 29 6.610 4.668 7.854 1.00 0.00 O ATOM 467 CB THR A 29 6.672 7.192 9.825 1.00 0.00 C ATOM 468 OG1 THR A 29 6.044 6.065 10.411 1.00 0.00 O ATOM 469 CG2 THR A 29 5.597 8.210 9.519 1.00 0.00 C ATOM 0 H THR A 29 7.493 8.831 8.160 1.00 0.00 H new ATOM 0 HA THR A 29 8.358 6.215 8.915 1.00 0.00 H new ATOM 0 HB THR A 29 7.392 7.643 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.532 6.348 11.197 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.060 8.458 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.055 9.111 9.111 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.900 7.795 8.791 1.00 0.00 H new ATOM 477 N LEU A 30 5.951 6.504 6.733 1.00 0.00 N ATOM 478 CA LEU A 30 5.108 5.766 5.803 1.00 0.00 C ATOM 479 C LEU A 30 5.949 5.147 4.693 1.00 0.00 C ATOM 480 O LEU A 30 5.781 3.976 4.351 1.00 0.00 O ATOM 481 CB LEU A 30 4.042 6.689 5.206 1.00 0.00 C ATOM 482 CG LEU A 30 2.616 6.432 5.695 1.00 0.00 C ATOM 483 CD1 LEU A 30 1.845 7.738 5.803 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.901 5.464 4.765 1.00 0.00 C ATOM 0 H LEU A 30 5.963 7.513 6.582 1.00 0.00 H new ATOM 0 HA LEU A 30 4.612 4.964 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.308 7.721 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.062 6.587 4.121 1.00 0.00 H new ATOM 0 HG LEU A 30 2.668 5.982 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.833 7.535 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.347 8.399 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.802 8.217 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.888 5.292 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.860 5.887 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.442 4.518 4.739 1.00 0.00 H new ATOM 496 N LYS A 31 6.853 5.940 4.131 1.00 0.00 N ATOM 497 CA LYS A 31 7.718 5.470 3.057 1.00 0.00 C ATOM 498 C LYS A 31 8.542 4.266 3.508 1.00 0.00 C ATOM 499 O LYS A 31 8.881 3.398 2.704 1.00 0.00 O ATOM 500 CB LYS A 31 8.644 6.592 2.588 1.00 0.00 C ATOM 501 CG LYS A 31 7.919 7.895 2.290 1.00 0.00 C ATOM 502 CD LYS A 31 8.591 8.661 1.162 1.00 0.00 C ATOM 503 CE LYS A 31 8.650 10.151 1.458 1.00 0.00 C ATOM 504 NZ LYS A 31 9.914 10.528 2.149 1.00 0.00 N ATOM 0 H LYS A 31 7.006 6.912 4.401 1.00 0.00 H new ATOM 0 HA LYS A 31 7.085 5.162 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.399 6.773 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.171 6.266 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.884 7.684 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.896 8.513 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.601 8.279 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.046 8.495 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.564 10.710 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.799 10.432 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.917 11.551 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.984 10.013 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.725 10.283 1.547 1.00 0.00 H new ATOM 518 N GLU A 32 8.858 4.221 4.798 1.00 0.00 N ATOM 519 CA GLU A 32 9.641 3.123 5.354 1.00 0.00 C ATOM 520 C GLU A 32 8.749 1.926 5.674 1.00 0.00 C ATOM 521 O GLU A 32 9.203 0.783 5.661 1.00 0.00 O ATOM 522 CB GLU A 32 10.377 3.579 6.615 1.00 0.00 C ATOM 523 CG GLU A 32 9.450 3.956 7.759 1.00 0.00 C ATOM 524 CD GLU A 32 10.200 4.278 9.037 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.780 5.381 9.121 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.209 3.428 9.951 1.00 0.00 O ATOM 0 H GLU A 32 8.584 4.931 5.477 1.00 0.00 H new ATOM 0 HA GLU A 32 10.373 2.818 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.042 2.781 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.004 4.436 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.851 4.818 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.757 3.135 7.946 1.00 0.00 H new ATOM 533 N LEU A 33 7.480 2.199 5.958 1.00 0.00 N ATOM 534 CA LEU A 33 6.525 1.143 6.280 1.00 0.00 C ATOM 535 C LEU A 33 5.929 0.544 5.008 1.00 0.00 C ATOM 536 O LEU A 33 5.667 -0.656 4.940 1.00 0.00 O ATOM 537 CB LEU A 33 5.411 1.690 7.175 1.00 0.00 C ATOM 538 CG LEU A 33 5.503 1.278 8.645 1.00 0.00 C ATOM 539 CD1 LEU A 33 5.345 -0.228 8.788 1.00 0.00 C ATOM 540 CD2 LEU A 33 6.825 1.736 9.245 1.00 0.00 C ATOM 0 H LEU A 33 7.089 3.141 5.972 1.00 0.00 H new ATOM 0 HA LEU A 33 7.056 0.356 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.420 2.778 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.451 1.358 6.779 1.00 0.00 H new ATOM 0 HG LEU A 33 4.692 1.761 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.413 -0.503 9.841 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.374 -0.531 8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.134 -0.731 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.874 1.435 10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.650 1.281 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.899 2.821 9.176 1.00 0.00 H new ATOM 552 N LEU A 34 5.718 1.389 4.005 1.00 0.00 N ATOM 553 CA LEU A 34 5.153 0.944 2.735 1.00 0.00 C ATOM 554 C LEU A 34 6.190 0.183 1.916 1.00 0.00 C ATOM 555 O LEU A 34 5.847 -0.695 1.124 1.00 0.00 O ATOM 556 CB LEU A 34 4.635 2.142 1.935 1.00 0.00 C ATOM 557 CG LEU A 34 3.625 3.025 2.670 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.648 4.438 2.112 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.228 2.431 2.570 1.00 0.00 C ATOM 0 H LEU A 34 5.929 2.386 4.046 1.00 0.00 H new ATOM 0 HA LEU A 34 4.322 0.273 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.485 2.757 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.174 1.775 1.018 1.00 0.00 H new ATOM 0 HG LEU A 34 3.905 3.068 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.923 5.052 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.645 4.862 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.393 4.415 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.522 3.071 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.938 2.358 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.222 1.437 3.018 1.00 0.00 H new ATOM 571 N GLU A 35 7.460 0.526 2.108 1.00 0.00 N ATOM 572 CA GLU A 35 8.547 -0.122 1.385 1.00 0.00 C ATOM 573 C GLU A 35 8.913 -1.468 2.010 1.00 0.00 C ATOM 574 O GLU A 35 9.748 -2.199 1.478 1.00 0.00 O ATOM 575 CB GLU A 35 9.775 0.791 1.350 1.00 0.00 C ATOM 576 CG GLU A 35 10.422 0.996 2.711 1.00 0.00 C ATOM 577 CD GLU A 35 11.670 0.155 2.895 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.761 -0.919 2.265 1.00 0.00 O ATOM 579 OE2 GLU A 35 12.557 0.572 3.670 1.00 0.00 O ATOM 0 H GLU A 35 7.761 1.251 2.760 1.00 0.00 H new ATOM 0 HA GLU A 35 8.205 -0.307 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.512 0.368 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.485 1.761 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.676 2.049 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.703 0.749 3.492 1.00 0.00 H new ATOM 586 N THR A 36 8.288 -1.793 3.140 1.00 0.00 N ATOM 587 CA THR A 36 8.558 -3.054 3.825 1.00 0.00 C ATOM 588 C THR A 36 8.298 -4.242 2.904 1.00 0.00 C ATOM 589 O THR A 36 9.112 -5.162 2.818 1.00 0.00 O ATOM 590 CB THR A 36 7.694 -3.170 5.082 1.00 0.00 C ATOM 591 OG1 THR A 36 6.321 -3.046 4.762 1.00 0.00 O ATOM 592 CG2 THR A 36 8.017 -2.125 6.129 1.00 0.00 C ATOM 0 H THR A 36 7.594 -1.203 3.599 1.00 0.00 H new ATOM 0 HA THR A 36 9.609 -3.064 4.112 1.00 0.00 H new ATOM 0 HB THR A 36 7.916 -4.155 5.493 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.971 -2.212 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.368 -2.264 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.058 -2.227 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.857 -1.131 5.712 1.00 0.00 H new ATOM 600 N TYR A 37 7.159 -4.215 2.219 1.00 0.00 N ATOM 601 CA TYR A 37 6.793 -5.289 1.304 1.00 0.00 C ATOM 602 C TYR A 37 6.686 -6.623 2.038 1.00 0.00 C ATOM 603 O TYR A 37 7.032 -7.671 1.494 1.00 0.00 O ATOM 604 CB TYR A 37 7.819 -5.397 0.174 1.00 0.00 C ATOM 605 CG TYR A 37 7.610 -4.388 -0.933 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.457 -3.038 -0.649 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.566 -4.787 -2.264 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.266 -2.113 -1.657 1.00 0.00 C ATOM 609 CE2 TYR A 37 7.375 -3.868 -3.278 1.00 0.00 C ATOM 610 CZ TYR A 37 7.225 -2.534 -2.970 1.00 0.00 C ATOM 611 OH TYR A 37 7.034 -1.616 -3.979 1.00 0.00 O ATOM 0 H TYR A 37 6.474 -3.461 2.281 1.00 0.00 H new ATOM 0 HA TYR A 37 5.817 -5.051 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.819 -5.267 0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.777 -6.401 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.488 -2.705 0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.683 -5.832 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.149 -1.066 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.343 -4.194 -4.307 1.00 0.00 H new ATOM 0 HH TYR A 37 7.032 -2.076 -4.844 1.00 0.00 H new ATOM 621 N GLN A 38 6.204 -6.575 3.276 1.00 0.00 N ATOM 622 CA GLN A 38 6.049 -7.780 4.082 1.00 0.00 C ATOM 623 C GLN A 38 5.048 -8.741 3.443 1.00 0.00 C ATOM 624 O GLN A 38 5.075 -9.943 3.706 1.00 0.00 O ATOM 625 CB GLN A 38 5.594 -7.418 5.497 1.00 0.00 C ATOM 626 CG GLN A 38 4.254 -6.702 5.542 1.00 0.00 C ATOM 627 CD GLN A 38 4.150 -5.729 6.700 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.245 -6.120 7.864 1.00 0.00 O ATOM 629 NE2 GLN A 38 3.957 -4.455 6.385 1.00 0.00 N ATOM 0 H GLN A 38 5.914 -5.715 3.742 1.00 0.00 H new ATOM 0 HA GLN A 38 7.018 -8.277 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.530 -8.328 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.350 -6.785 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.102 -6.164 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.455 -7.439 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.884 -4.177 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.881 -3.753 7.121 1.00 0.00 H new ATOM 638 N ARG A 39 4.172 -8.204 2.600 1.00 0.00 N ATOM 639 CA ARG A 39 3.166 -9.011 1.920 1.00 0.00 C ATOM 640 C ARG A 39 3.204 -8.762 0.413 1.00 0.00 C ATOM 641 O ARG A 39 3.811 -7.794 -0.046 1.00 0.00 O ATOM 642 CB ARG A 39 1.761 -8.717 2.466 1.00 0.00 C ATOM 643 CG ARG A 39 1.626 -7.364 3.153 1.00 0.00 C ATOM 644 CD ARG A 39 0.265 -6.735 2.890 1.00 0.00 C ATOM 645 NE ARG A 39 -0.503 -6.559 4.121 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.263 -5.601 5.013 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.720 -4.732 4.815 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.012 -5.511 6.104 1.00 0.00 N ATOM 0 H ARG A 39 4.139 -7.211 2.371 1.00 0.00 H new ATOM 0 HA ARG A 39 3.397 -10.059 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.047 -8.767 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.488 -9.500 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.770 -7.485 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.411 -6.696 2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.400 -5.768 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.297 -7.363 2.198 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.267 -7.208 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.296 -4.796 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.899 -4.000 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.770 -6.175 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.830 -4.777 6.789 1.00 0.00 H new ATOM 662 N PRO A 40 2.560 -9.639 -0.379 1.00 0.00 N ATOM 663 CA PRO A 40 2.530 -9.509 -1.841 1.00 0.00 C ATOM 664 C PRO A 40 1.808 -8.248 -2.303 1.00 0.00 C ATOM 665 O PRO A 40 0.702 -8.313 -2.842 1.00 0.00 O ATOM 666 CB PRO A 40 1.773 -10.760 -2.301 1.00 0.00 C ATOM 667 CG PRO A 40 0.992 -11.198 -1.111 1.00 0.00 C ATOM 668 CD PRO A 40 1.819 -10.824 0.085 1.00 0.00 C ATOM 0 HA PRO A 40 3.534 -9.427 -2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.118 -10.537 -3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.461 -11.539 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.018 -10.709 -1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.808 -12.272 -1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.197 -10.597 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.491 -11.630 0.379 1.00 0.00 H new ATOM 676 N PHE A 41 2.444 -7.099 -2.095 1.00 0.00 N ATOM 677 CA PHE A 41 1.869 -5.821 -2.495 1.00 0.00 C ATOM 678 C PHE A 41 2.943 -4.903 -3.075 1.00 0.00 C ATOM 679 O PHE A 41 4.131 -5.069 -2.792 1.00 0.00 O ATOM 680 CB PHE A 41 1.180 -5.147 -1.303 1.00 0.00 C ATOM 681 CG PHE A 41 2.131 -4.537 -0.311 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.616 -5.282 0.751 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.535 -3.218 -0.440 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.488 -4.723 1.666 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.408 -2.653 0.471 1.00 0.00 C ATOM 686 CZ PHE A 41 3.883 -3.407 1.526 1.00 0.00 C ATOM 0 H PHE A 41 3.359 -7.028 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 41 1.124 -6.009 -3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.511 -4.370 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.560 -5.883 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.309 -6.311 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.164 -2.624 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.860 -5.315 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.718 -1.625 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.563 -2.968 2.241 1.00 0.00 H new ATOM 696 N LYS A 42 2.522 -3.941 -3.885 1.00 0.00 N ATOM 697 CA LYS A 42 3.451 -3.001 -4.501 1.00 0.00 C ATOM 698 C LYS A 42 2.908 -1.579 -4.441 1.00 0.00 C ATOM 699 O LYS A 42 1.726 -1.366 -4.169 1.00 0.00 O ATOM 700 CB LYS A 42 3.723 -3.397 -5.953 1.00 0.00 C ATOM 701 CG LYS A 42 4.755 -4.503 -6.099 1.00 0.00 C ATOM 702 CD LYS A 42 4.359 -5.498 -7.177 1.00 0.00 C ATOM 703 CE LYS A 42 5.392 -6.604 -7.323 1.00 0.00 C ATOM 704 NZ LYS A 42 5.398 -7.517 -6.147 1.00 0.00 N ATOM 0 H LYS A 42 1.544 -3.790 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 42 4.386 -3.035 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.789 -3.720 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.063 -2.519 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.724 -4.068 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.870 -5.023 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.390 -5.934 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.244 -4.978 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.185 -7.177 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.381 -6.163 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.016 -8.331 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.752 -7.006 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.431 -7.853 -5.963 1.00 0.00 H new ATOM 718 N LEU A 43 3.778 -0.609 -4.698 1.00 0.00 N ATOM 719 CA LEU A 43 3.385 0.794 -4.677 1.00 0.00 C ATOM 720 C LEU A 43 4.048 1.559 -5.815 1.00 0.00 C ATOM 721 O LEU A 43 5.257 1.461 -6.019 1.00 0.00 O ATOM 722 CB LEU A 43 3.756 1.430 -3.335 1.00 0.00 C ATOM 723 CG LEU A 43 2.719 1.252 -2.225 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.081 0.067 -1.343 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.603 2.521 -1.393 1.00 0.00 C ATOM 0 H LEU A 43 4.760 -0.769 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 43 2.304 0.845 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.702 1.006 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.921 2.496 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 43 1.752 1.055 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.332 -0.045 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.112 -0.840 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.058 0.235 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.861 2.375 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.568 2.749 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.297 3.349 -2.033 1.00 0.00 H new ATOM 737 N GLU A 44 3.251 2.324 -6.554 1.00 0.00 N ATOM 738 CA GLU A 44 3.770 3.105 -7.671 1.00 0.00 C ATOM 739 C GLU A 44 3.976 4.558 -7.257 1.00 0.00 C ATOM 740 O GLU A 44 3.051 5.367 -7.306 1.00 0.00 O ATOM 741 CB GLU A 44 2.826 3.031 -8.877 1.00 0.00 C ATOM 742 CG GLU A 44 2.007 1.751 -8.944 1.00 0.00 C ATOM 743 CD GLU A 44 2.858 0.527 -9.224 1.00 0.00 C ATOM 744 OE1 GLU A 44 3.258 0.337 -10.392 1.00 0.00 O ATOM 745 OE2 GLU A 44 3.126 -0.240 -8.276 1.00 0.00 O ATOM 0 H GLU A 44 2.247 2.420 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 44 4.732 2.681 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.147 3.883 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.413 3.123 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.478 1.613 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.250 1.849 -9.723 1.00 0.00 H new ATOM 752 N PHE A 45 5.198 4.877 -6.847 1.00 0.00 N ATOM 753 CA PHE A 45 5.538 6.228 -6.417 1.00 0.00 C ATOM 754 C PHE A 45 5.300 7.232 -7.540 1.00 0.00 C ATOM 755 O PHE A 45 5.919 7.152 -8.601 1.00 0.00 O ATOM 756 CB PHE A 45 7.000 6.290 -5.969 1.00 0.00 C ATOM 757 CG PHE A 45 7.240 5.762 -4.579 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.397 4.814 -4.019 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.318 6.215 -3.833 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.622 4.330 -2.743 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.547 5.735 -2.557 1.00 0.00 C ATOM 762 CZ PHE A 45 7.699 4.791 -2.013 1.00 0.00 C ATOM 0 H PHE A 45 5.973 4.215 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 45 4.894 6.487 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.609 5.722 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.340 7.325 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.554 4.449 -4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.986 6.951 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.956 3.593 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.389 6.098 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.878 4.414 -1.017 1.00 0.00 H new ATOM 772 N LYS A 46 4.397 8.177 -7.298 1.00 0.00 N ATOM 773 CA LYS A 46 4.072 9.197 -8.287 1.00 0.00 C ATOM 774 C LYS A 46 5.169 10.255 -8.357 1.00 0.00 C ATOM 775 O LYS A 46 5.470 10.781 -9.428 1.00 0.00 O ATOM 776 CB LYS A 46 2.734 9.857 -7.947 1.00 0.00 C ATOM 777 CG LYS A 46 1.529 8.977 -8.242 1.00 0.00 C ATOM 778 CD LYS A 46 1.512 8.520 -9.693 1.00 0.00 C ATOM 779 CE LYS A 46 0.158 8.762 -10.343 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.314 7.572 -11.102 1.00 0.00 N ATOM 0 H LYS A 46 3.877 8.257 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 46 3.995 8.713 -9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.728 10.124 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.642 10.785 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.544 8.107 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.614 9.527 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.284 9.051 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.755 7.459 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.573 9.016 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.226 9.618 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.349 7.608 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.119 7.569 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.042 6.706 -10.594 1.00 0.00 H new ATOM 794 N ASN A 47 5.761 10.563 -7.208 1.00 0.00 N ATOM 795 CA ASN A 47 6.825 11.558 -7.139 1.00 0.00 C ATOM 796 C ASN A 47 8.050 10.999 -6.422 1.00 0.00 C ATOM 797 O ASN A 47 8.069 9.834 -6.024 1.00 0.00 O ATOM 798 CB ASN A 47 6.330 12.815 -6.418 1.00 0.00 C ATOM 799 CG ASN A 47 5.210 13.509 -7.171 1.00 0.00 C ATOM 800 OD1 ASN A 47 5.247 13.620 -8.397 1.00 0.00 O ATOM 801 ND2 ASN A 47 4.209 13.980 -6.438 1.00 0.00 N ATOM 0 H ASN A 47 5.522 10.138 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 47 7.110 11.818 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.982 12.546 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.161 13.508 -6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.428 14.457 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.221 13.865 -5.425 1.00 0.00 H new ATOM 808 N THR A 48 9.071 11.835 -6.264 1.00 0.00 N ATOM 809 CA THR A 48 10.300 11.422 -5.597 1.00 0.00 C ATOM 810 C THR A 48 10.637 12.363 -4.446 1.00 0.00 C ATOM 811 O THR A 48 10.901 11.924 -3.327 1.00 0.00 O ATOM 812 CB THR A 48 11.458 11.384 -6.594 1.00 0.00 C ATOM 813 OG1 THR A 48 11.705 12.673 -7.127 1.00 0.00 O ATOM 814 CG2 THR A 48 11.215 10.446 -7.758 1.00 0.00 C ATOM 0 H THR A 48 9.072 12.802 -6.589 1.00 0.00 H new ATOM 0 HA THR A 48 10.145 10.422 -5.192 1.00 0.00 H new ATOM 0 HB THR A 48 12.315 11.021 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.451 12.627 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.075 10.467 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.070 9.432 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.325 10.763 -8.301 1.00 0.00 H new ATOM 822 N SER A 49 10.624 13.657 -4.731 1.00 0.00 N ATOM 823 CA SER A 49 10.928 14.668 -3.725 1.00 0.00 C ATOM 824 C SER A 49 10.765 16.074 -4.295 1.00 0.00 C ATOM 825 O SER A 49 11.533 16.978 -3.971 1.00 0.00 O ATOM 826 CB SER A 49 12.353 14.481 -3.198 1.00 0.00 C ATOM 827 OG SER A 49 12.562 15.233 -2.015 1.00 0.00 O ATOM 0 H SER A 49 10.406 14.034 -5.653 1.00 0.00 H new ATOM 0 HA SER A 49 10.224 14.547 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.535 13.425 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.069 14.789 -3.960 1.00 0.00 H new ATOM 0 HG SER A 49 12.331 16.171 -2.179 1.00 0.00 H new ATOM 833 N LYS A 50 9.758 16.249 -5.145 1.00 0.00 N ATOM 834 CA LYS A 50 9.494 17.545 -5.758 1.00 0.00 C ATOM 835 C LYS A 50 9.092 18.576 -4.706 1.00 0.00 C ATOM 836 O LYS A 50 9.251 19.780 -4.912 1.00 0.00 O ATOM 837 CB LYS A 50 8.394 17.418 -6.815 1.00 0.00 C ATOM 838 CG LYS A 50 8.716 18.138 -8.115 1.00 0.00 C ATOM 839 CD LYS A 50 7.547 18.986 -8.590 1.00 0.00 C ATOM 840 CE LYS A 50 7.944 19.884 -9.750 1.00 0.00 C ATOM 841 NZ LYS A 50 8.162 21.291 -9.313 1.00 0.00 N ATOM 0 H LYS A 50 9.112 15.510 -5.424 1.00 0.00 H new ATOM 0 HA LYS A 50 10.412 17.885 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.224 16.362 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.464 17.816 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.592 18.771 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.972 17.407 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.726 18.337 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.180 19.597 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.855 19.501 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.166 19.857 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.431 21.871 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.285 21.665 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.922 21.320 -8.604 1.00 0.00 H new ATOM 855 N ASN A 51 8.570 18.098 -3.580 1.00 0.00 N ATOM 856 CA ASN A 51 8.146 18.980 -2.498 1.00 0.00 C ATOM 857 C ASN A 51 7.023 19.903 -2.957 1.00 0.00 C ATOM 858 O ASN A 51 7.159 21.127 -2.929 1.00 0.00 O ATOM 859 CB ASN A 51 9.331 19.806 -1.989 1.00 0.00 C ATOM 860 CG ASN A 51 10.399 18.947 -1.341 1.00 0.00 C ATOM 861 OD1 ASN A 51 11.511 18.828 -1.855 1.00 0.00 O ATOM 862 ND2 ASN A 51 10.066 18.345 -0.205 1.00 0.00 N ATOM 0 H ASN A 51 8.431 17.105 -3.393 1.00 0.00 H new ATOM 0 HA ASN A 51 7.770 18.361 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.768 20.359 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.974 20.542 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.744 17.756 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.132 18.472 0.185 1.00 0.00 H new ATOM 869 N ALA A 52 5.911 19.310 -3.377 1.00 0.00 N ATOM 870 CA ALA A 52 4.762 20.080 -3.839 1.00 0.00 C ATOM 871 C ALA A 52 3.667 20.143 -2.776 1.00 0.00 C ATOM 872 O ALA A 52 2.532 20.518 -3.067 1.00 0.00 O ATOM 873 CB ALA A 52 4.216 19.484 -5.128 1.00 0.00 C ATOM 0 H ALA A 52 5.781 18.299 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 52 5.096 21.100 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.358 20.067 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.991 19.504 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.907 18.454 -4.950 1.00 0.00 H new ATOM 879 N LYS A 53 4.015 19.773 -1.540 1.00 0.00 N ATOM 880 CA LYS A 53 3.064 19.786 -0.427 1.00 0.00 C ATOM 881 C LYS A 53 2.125 18.578 -0.467 1.00 0.00 C ATOM 882 O LYS A 53 1.337 18.370 0.456 1.00 0.00 O ATOM 883 CB LYS A 53 2.243 21.078 -0.437 1.00 0.00 C ATOM 884 CG LYS A 53 1.940 21.616 0.952 1.00 0.00 C ATOM 885 CD LYS A 53 0.515 22.140 1.050 1.00 0.00 C ATOM 886 CE LYS A 53 0.379 23.514 0.410 1.00 0.00 C ATOM 887 NZ LYS A 53 0.225 24.587 1.428 1.00 0.00 N ATOM 0 H LYS A 53 4.952 19.460 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 53 3.645 19.733 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.783 21.838 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.304 20.898 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.090 20.827 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.640 22.416 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.165 21.442 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.218 22.195 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.257 23.718 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.483 23.520 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.135 25.507 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.627 24.407 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.059 24.599 2.049 1.00 0.00 H new ATOM 901 N PHE A 54 2.209 17.784 -1.532 1.00 0.00 N ATOM 902 CA PHE A 54 1.360 16.605 -1.671 1.00 0.00 C ATOM 903 C PHE A 54 2.154 15.427 -2.220 1.00 0.00 C ATOM 904 O PHE A 54 2.660 15.473 -3.342 1.00 0.00 O ATOM 905 CB PHE A 54 0.173 16.905 -2.590 1.00 0.00 C ATOM 906 CG PHE A 54 -0.437 18.259 -2.368 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.893 18.630 -1.113 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.555 19.161 -3.414 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.456 19.876 -0.905 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.118 20.407 -3.212 1.00 0.00 C ATOM 911 CZ PHE A 54 -1.568 20.765 -1.957 1.00 0.00 C ATOM 0 H PHE A 54 2.854 17.935 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 54 0.986 16.342 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.500 16.830 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.592 16.143 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.808 17.938 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.203 18.887 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.807 20.154 0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.206 21.100 -4.036 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.007 21.739 -1.798 1.00 0.00 H new ATOM 921 N TYR A 55 2.253 14.368 -1.426 1.00 0.00 N ATOM 922 CA TYR A 55 2.980 13.176 -1.837 1.00 0.00 C ATOM 923 C TYR A 55 2.019 12.121 -2.370 1.00 0.00 C ATOM 924 O TYR A 55 1.254 11.524 -1.616 1.00 0.00 O ATOM 925 CB TYR A 55 3.782 12.607 -0.666 1.00 0.00 C ATOM 926 CG TYR A 55 4.800 13.574 -0.104 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.399 14.740 0.536 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.162 13.320 -0.214 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.326 15.626 1.051 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.095 14.201 0.299 1.00 0.00 C ATOM 931 CZ TYR A 55 6.673 15.353 0.929 1.00 0.00 C ATOM 932 OH TYR A 55 7.599 16.232 1.441 1.00 0.00 O ATOM 0 H TYR A 55 1.839 14.311 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 55 3.670 13.456 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.094 12.315 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.294 11.702 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.346 14.958 0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.497 12.420 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.998 16.528 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.150 13.988 0.207 1.00 0.00 H new ATOM 0 HH TYR A 55 8.502 15.891 1.272 1.00 0.00 H new ATOM 942 N SER A 56 2.067 11.902 -3.677 1.00 0.00 N ATOM 943 CA SER A 56 1.201 10.924 -4.321 1.00 0.00 C ATOM 944 C SER A 56 1.840 9.540 -4.326 1.00 0.00 C ATOM 945 O SER A 56 2.974 9.370 -4.776 1.00 0.00 O ATOM 946 CB SER A 56 0.883 11.359 -5.752 1.00 0.00 C ATOM 947 OG SER A 56 -0.070 12.407 -5.769 1.00 0.00 O ATOM 0 H SER A 56 2.698 12.390 -4.313 1.00 0.00 H new ATOM 0 HA SER A 56 0.274 10.869 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.797 11.687 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.502 10.508 -6.317 1.00 0.00 H new ATOM 0 HG SER A 56 -0.254 12.667 -6.696 1.00 0.00 H new ATOM 953 N PHE A 57 1.105 8.551 -3.823 1.00 0.00 N ATOM 954 CA PHE A 57 1.602 7.181 -3.771 1.00 0.00 C ATOM 955 C PHE A 57 0.521 6.196 -4.206 1.00 0.00 C ATOM 956 O PHE A 57 -0.642 6.327 -3.823 1.00 0.00 O ATOM 957 CB PHE A 57 2.071 6.838 -2.357 1.00 0.00 C ATOM 958 CG PHE A 57 3.333 7.545 -1.956 1.00 0.00 C ATOM 959 CD1 PHE A 57 4.553 7.172 -2.496 1.00 0.00 C ATOM 960 CD2 PHE A 57 3.299 8.580 -1.037 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.716 7.822 -2.128 1.00 0.00 C ATOM 962 CE2 PHE A 57 4.458 9.234 -0.664 1.00 0.00 C ATOM 963 CZ PHE A 57 5.668 8.853 -1.211 1.00 0.00 C ATOM 0 H PHE A 57 0.165 8.674 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 57 2.445 7.102 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.282 7.092 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.229 5.762 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.596 6.365 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.355 8.880 -0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.661 7.524 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.418 10.041 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.576 9.361 -0.921 1.00 0.00 H new ATOM 973 N ASN A 58 0.912 5.209 -5.004 1.00 0.00 N ATOM 974 CA ASN A 58 -0.026 4.201 -5.483 1.00 0.00 C ATOM 975 C ASN A 58 0.157 2.892 -4.723 1.00 0.00 C ATOM 976 O ASN A 58 1.201 2.660 -4.114 1.00 0.00 O ATOM 977 CB ASN A 58 0.163 3.966 -6.980 1.00 0.00 C ATOM 978 CG ASN A 58 -0.334 5.129 -7.816 1.00 0.00 C ATOM 979 OD1 ASN A 58 -0.178 6.290 -7.440 1.00 0.00 O ATOM 980 ND2 ASN A 58 -0.939 4.821 -8.958 1.00 0.00 N ATOM 0 H ASN A 58 1.870 5.085 -5.332 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.038 4.567 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.220 3.798 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.367 3.060 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.296 5.561 -9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.047 3.844 -9.231 1.00 0.00 H new ATOM 987 N VAL A 59 -0.863 2.041 -4.759 1.00 0.00 N ATOM 988 CA VAL A 59 -0.805 0.760 -4.067 1.00 0.00 C ATOM 989 C VAL A 59 -1.425 -0.353 -4.905 1.00 0.00 C ATOM 990 O VAL A 59 -2.631 -0.360 -5.148 1.00 0.00 O ATOM 991 CB VAL A 59 -1.528 0.819 -2.707 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.166 -0.387 -1.857 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.197 2.113 -1.978 1.00 0.00 C ATOM 0 H VAL A 59 -1.736 2.215 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 59 0.251 0.544 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.603 0.798 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.686 -0.328 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.462 -1.299 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.090 -0.401 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.717 2.135 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.122 2.170 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.514 2.963 -2.583 1.00 0.00 H new ATOM 1003 N SER A 60 -0.593 -1.295 -5.337 1.00 0.00 N ATOM 1004 CA SER A 60 -1.060 -2.417 -6.142 1.00 0.00 C ATOM 1005 C SER A 60 -1.086 -3.701 -5.317 1.00 0.00 C ATOM 1006 O SER A 60 -0.049 -4.323 -5.089 1.00 0.00 O ATOM 1007 CB SER A 60 -0.164 -2.599 -7.370 1.00 0.00 C ATOM 1008 OG SER A 60 -0.794 -2.104 -8.538 1.00 0.00 O ATOM 0 H SER A 60 0.408 -1.303 -5.143 1.00 0.00 H new ATOM 0 HA SER A 60 -2.075 -2.200 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.781 -2.079 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.071 -3.656 -7.499 1.00 0.00 H new ATOM 0 HG SER A 60 -0.201 -2.230 -9.308 1.00 0.00 H new ATOM 1014 N MET A 61 -2.277 -4.088 -4.870 1.00 0.00 N ATOM 1015 CA MET A 61 -2.436 -5.295 -4.068 1.00 0.00 C ATOM 1016 C MET A 61 -3.450 -6.241 -4.707 1.00 0.00 C ATOM 1017 O MET A 61 -4.330 -5.811 -5.453 1.00 0.00 O ATOM 1018 CB MET A 61 -2.879 -4.931 -2.647 1.00 0.00 C ATOM 1019 CG MET A 61 -3.172 -6.137 -1.766 1.00 0.00 C ATOM 1020 SD MET A 61 -1.697 -7.106 -1.400 1.00 0.00 S ATOM 1021 CE MET A 61 -2.339 -8.248 -0.179 1.00 0.00 C ATOM 0 H MET A 61 -3.145 -3.583 -5.050 1.00 0.00 H new ATOM 0 HA MET A 61 -1.473 -5.804 -4.021 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.101 -4.330 -2.177 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.772 -4.309 -2.703 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.621 -5.799 -0.832 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.906 -6.773 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.543 -8.917 0.147 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.718 -7.690 0.677 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.147 -8.833 -0.618 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.316 -7.529 -4.411 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.216 -8.538 -4.957 1.00 0.00 C ATOM 1033 C GLU A 62 -5.558 -8.523 -4.231 1.00 0.00 C ATOM 1034 O GLU A 62 -5.665 -8.982 -3.093 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.585 -9.926 -4.852 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.143 -9.978 -5.330 1.00 0.00 C ATOM 1037 CD GLU A 62 -1.468 -11.295 -5.008 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -1.589 -12.238 -5.819 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -0.819 -11.386 -3.945 1.00 0.00 O ATOM 0 H GLU A 62 -2.592 -7.899 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.388 -8.302 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.627 -10.257 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.178 -10.630 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.115 -9.814 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.582 -9.165 -4.869 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.580 -7.996 -4.896 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.915 -7.924 -4.316 1.00 0.00 C ATOM 1048 C VAL A 63 -8.744 -9.143 -4.705 1.00 0.00 C ATOM 1049 O VAL A 63 -8.701 -9.598 -5.848 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.655 -6.647 -4.759 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -10.050 -6.590 -4.154 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.852 -5.411 -4.380 1.00 0.00 C ATOM 0 H VAL A 63 -6.509 -7.612 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.791 -7.901 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.761 -6.671 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.552 -5.680 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.624 -7.458 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.975 -6.592 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.388 -4.517 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.714 -5.384 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.879 -5.445 -4.870 1.00 0.00 H new ATOM 1062 N SER A 64 -9.498 -9.665 -3.742 1.00 0.00 N ATOM 1063 CA SER A 64 -10.342 -10.833 -3.970 1.00 0.00 C ATOM 1064 C SER A 64 -11.822 -10.462 -3.889 1.00 0.00 C ATOM 1065 O SER A 64 -12.662 -11.090 -4.534 1.00 0.00 O ATOM 1066 CB SER A 64 -10.024 -11.922 -2.945 1.00 0.00 C ATOM 1067 OG SER A 64 -8.754 -12.502 -3.193 1.00 0.00 O ATOM 0 H SER A 64 -9.541 -9.295 -2.792 1.00 0.00 H new ATOM 0 HA SER A 64 -10.135 -11.210 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.044 -11.498 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.793 -12.694 -2.980 1.00 0.00 H new ATOM 0 HG SER A 64 -8.574 -13.194 -2.523 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.134 -9.442 -3.093 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.515 -8.996 -2.931 1.00 0.00 C ATOM 1075 C ASN A 65 -13.592 -7.750 -2.049 1.00 0.00 C ATOM 1076 O ASN A 65 -12.568 -7.172 -1.683 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.367 -10.121 -2.334 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.097 -10.349 -0.856 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.996 -10.231 -0.024 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.854 -10.678 -0.521 1.00 0.00 N ATOM 0 H ASN A 65 -11.452 -8.911 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.905 -8.738 -3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.422 -9.883 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.174 -11.045 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.616 -10.843 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.138 -10.766 -1.242 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.814 -7.343 -1.712 1.00 0.00 N ATOM 1088 CA GLU A 66 -15.029 -6.166 -0.876 1.00 0.00 C ATOM 1089 C GLU A 66 -14.288 -6.290 0.454 1.00 0.00 C ATOM 1090 O GLU A 66 -13.846 -5.293 1.023 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.524 -5.960 -0.618 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.196 -7.144 0.059 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.130 -6.721 1.177 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.857 -5.686 1.819 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.135 -7.427 1.410 1.00 0.00 O ATOM 0 H GLU A 66 -15.671 -7.812 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.634 -5.302 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.658 -5.074 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.024 -5.763 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.757 -7.712 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.432 -7.810 0.460 1.00 0.00 H new ATOM 1102 N SER A 67 -14.154 -7.520 0.942 1.00 0.00 N ATOM 1103 CA SER A 67 -13.465 -7.770 2.204 1.00 0.00 C ATOM 1104 C SER A 67 -12.064 -7.169 2.187 1.00 0.00 C ATOM 1105 O SER A 67 -11.694 -6.400 3.076 1.00 0.00 O ATOM 1106 CB SER A 67 -13.385 -9.273 2.476 1.00 0.00 C ATOM 1107 OG SER A 67 -13.377 -9.540 3.868 1.00 0.00 O ATOM 0 H SER A 67 -14.513 -8.358 0.484 1.00 0.00 H new ATOM 0 HA SER A 67 -14.035 -7.293 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.233 -9.775 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.483 -9.681 2.019 1.00 0.00 H new ATOM 0 HG SER A 67 -13.976 -10.291 4.060 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.289 -7.521 1.168 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.930 -7.010 1.036 1.00 0.00 C ATOM 1115 C GLU A 68 -9.946 -5.499 0.848 1.00 0.00 C ATOM 1116 O GLU A 68 -9.262 -4.769 1.563 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.209 -7.678 -0.140 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.545 -9.152 -0.318 1.00 0.00 C ATOM 1119 CD GLU A 68 -9.485 -9.929 0.983 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -8.753 -9.498 1.899 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -10.169 -10.969 1.085 1.00 0.00 O ATOM 0 H GLU A 68 -11.577 -8.156 0.423 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.389 -7.246 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.461 -7.145 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.133 -7.576 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.544 -9.243 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.851 -9.595 -1.033 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.737 -5.035 -0.118 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.848 -3.606 -0.405 1.00 0.00 C ATOM 1130 C ARG A 69 -10.996 -2.792 0.878 1.00 0.00 C ATOM 1131 O ARG A 69 -10.565 -1.641 0.947 1.00 0.00 O ATOM 1132 CB ARG A 69 -12.041 -3.344 -1.327 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.991 -1.990 -2.016 1.00 0.00 C ATOM 1134 CD ARG A 69 -13.265 -1.716 -2.797 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.022 -0.868 -3.963 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.942 -0.594 -4.886 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -15.165 -1.097 -4.783 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.637 0.188 -5.913 1.00 0.00 N ATOM 0 H ARG A 69 -11.311 -5.629 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.930 -3.293 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.083 -4.127 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.961 -3.413 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.843 -1.207 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -11.135 -1.955 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.702 -2.661 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.994 -1.235 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.093 -0.462 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.405 -1.697 -3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.866 -0.884 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.698 0.579 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.341 0.398 -6.620 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.604 -3.399 1.893 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.803 -2.731 3.173 1.00 0.00 C ATOM 1154 C ASN A 70 -10.519 -2.751 3.997 1.00 0.00 C ATOM 1155 O ASN A 70 -10.238 -1.817 4.747 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.939 -3.400 3.951 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.913 -2.394 4.533 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.986 -1.252 4.081 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.667 -2.816 5.540 1.00 0.00 N ATOM 0 H ASN A 70 -11.967 -4.351 1.853 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.073 -1.693 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.476 -4.081 3.291 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.519 -4.002 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.341 -2.184 5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.572 -3.772 5.882 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.744 -3.820 3.845 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.486 -3.959 4.571 1.00 0.00 C ATOM 1168 C GLU A 71 -7.372 -3.187 3.869 1.00 0.00 C ATOM 1169 O GLU A 71 -6.520 -2.581 4.520 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.103 -5.436 4.690 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.518 -5.803 6.045 1.00 0.00 C ATOM 1172 CD GLU A 71 -6.842 -7.160 6.037 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -7.532 -8.169 6.289 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -5.619 -7.213 5.780 1.00 0.00 O ATOM 0 H GLU A 71 -9.964 -4.601 3.227 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.620 -3.545 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.986 -6.048 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.379 -5.679 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.796 -5.043 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.311 -5.800 6.792 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.390 -3.209 2.540 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.384 -2.509 1.750 1.00 0.00 C ATOM 1183 C ILE A 72 -6.544 -0.997 1.878 1.00 0.00 C ATOM 1184 O ILE A 72 -5.574 -0.248 1.758 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.463 -2.891 0.258 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.603 -4.410 0.098 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.232 -2.381 -0.480 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.333 -4.908 -1.306 1.00 0.00 C ATOM 0 H ILE A 72 -8.090 -3.704 1.988 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.413 -2.811 2.142 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.346 -2.422 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.916 -4.902 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.611 -4.705 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.299 -2.657 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.178 -1.296 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.337 -2.825 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.452 -5.991 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.037 -4.445 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.315 -4.647 -1.595 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.774 -0.555 2.120 1.00 0.00 N ATOM 1201 CA PHE A 73 -8.064 0.867 2.260 1.00 0.00 C ATOM 1202 C PHE A 73 -7.663 1.377 3.641 1.00 0.00 C ATOM 1203 O PHE A 73 -6.987 2.398 3.764 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.551 1.128 2.022 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.865 2.556 1.675 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.428 3.105 0.481 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.595 3.350 2.545 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.715 4.418 0.159 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.885 4.663 2.230 1.00 0.00 C ATOM 1210 CZ PHE A 73 -10.444 5.198 1.035 1.00 0.00 C ATOM 0 H PHE A 73 -8.587 -1.162 2.223 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.480 1.405 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.900 0.482 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.108 0.850 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.856 2.500 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.941 2.937 3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.370 4.833 -0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.456 5.271 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.669 6.225 0.786 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.090 0.663 4.677 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.780 1.046 6.051 1.00 0.00 C ATOM 1222 C GLN A 74 -6.302 0.830 6.364 1.00 0.00 C ATOM 1223 O GLN A 74 -5.724 1.536 7.191 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.642 0.246 7.029 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.358 -1.249 7.010 1.00 0.00 C ATOM 1226 CD GLN A 74 -7.839 -1.763 8.339 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -7.132 -1.056 9.058 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -8.186 -3.001 8.672 1.00 0.00 N ATOM 0 H GLN A 74 -8.652 -0.184 4.592 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.001 2.108 6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.479 0.625 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.693 0.411 6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.271 -1.785 6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.627 -1.466 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.774 -3.552 8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.865 -3.401 9.554 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.696 -0.151 5.702 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.287 -0.460 5.916 1.00 0.00 C ATOM 1239 C LYS A 75 -3.394 0.682 5.440 1.00 0.00 C ATOM 1240 O LYS A 75 -2.492 1.118 6.157 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.909 -1.752 5.191 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.237 -3.011 5.979 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.051 -3.474 6.807 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.079 -2.877 8.204 1.00 0.00 C ATOM 1245 NZ LYS A 75 -2.158 -1.715 8.331 1.00 0.00 N ATOM 0 H LYS A 75 -6.158 -0.745 5.014 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.133 -0.592 6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.429 -1.787 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.841 -1.738 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.087 -2.820 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.535 -3.804 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.056 -4.562 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.125 -3.190 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.095 -2.563 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.802 -3.641 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.516 -1.067 9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.211 -2.050 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.103 -1.215 7.421 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.646 1.161 4.226 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.861 2.249 3.656 1.00 0.00 C ATOM 1261 C ILE A 76 -3.104 3.554 4.408 1.00 0.00 C ATOM 1262 O ILE A 76 -2.214 4.399 4.509 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.183 2.454 2.162 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.265 3.519 1.558 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.641 2.840 1.976 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.847 3.038 1.343 1.00 0.00 C ATOM 0 H ILE A 76 -4.388 0.813 3.618 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.812 1.969 3.754 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.009 1.512 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.679 3.846 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.250 4.390 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.848 2.980 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.280 2.049 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.843 3.768 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.251 3.843 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.416 2.738 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.851 2.186 0.663 1.00 0.00 H new ATOM 1278 N SER A 77 -4.313 3.711 4.936 1.00 0.00 N ATOM 1279 CA SER A 77 -4.671 4.911 5.682 1.00 0.00 C ATOM 1280 C SER A 77 -4.522 4.685 7.184 1.00 0.00 C ATOM 1281 O SER A 77 -5.159 5.364 7.989 1.00 0.00 O ATOM 1282 CB SER A 77 -6.106 5.330 5.356 1.00 0.00 C ATOM 1283 OG SER A 77 -7.041 4.591 6.126 1.00 0.00 O ATOM 0 H SER A 77 -5.061 3.022 4.861 1.00 0.00 H new ATOM 0 HA SER A 77 -3.991 5.709 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.230 6.395 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.301 5.176 4.295 1.00 0.00 H new ATOM 0 HG SER A 77 -7.950 4.878 5.900 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.676 3.727 7.555 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.444 3.412 8.961 1.00 0.00 C ATOM 1291 C GLN A 78 -2.940 4.637 9.718 1.00 0.00 C ATOM 1292 O GLN A 78 -3.376 4.908 10.837 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.436 2.269 9.088 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.155 1.862 10.526 1.00 0.00 C ATOM 1295 CD GLN A 78 -0.757 2.232 10.977 1.00 0.00 C ATOM 1296 OE1 GLN A 78 0.179 2.253 10.177 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -0.606 2.529 12.262 1.00 0.00 N ATOM 0 H GLN A 78 -3.140 3.156 6.901 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.392 3.102 9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.810 1.404 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.501 2.566 8.614 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.882 2.339 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.292 0.785 10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.409 2.499 12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.313 2.787 12.621 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.022 5.371 9.102 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.460 6.568 9.721 1.00 0.00 C ATOM 1308 C LEU A 79 -2.407 7.755 9.572 1.00 0.00 C ATOM 1309 O LEU A 79 -3.494 7.627 9.008 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.102 6.901 9.097 1.00 0.00 C ATOM 1311 CG LEU A 79 1.106 6.293 9.813 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.221 4.809 9.502 1.00 0.00 C ATOM 1313 CD2 LEU A 79 2.381 7.024 9.418 1.00 0.00 C ATOM 0 H LEU A 79 -1.650 5.160 8.176 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.324 6.367 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.101 6.560 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.015 7.984 9.075 1.00 0.00 H new ATOM 0 HG LEU A 79 0.963 6.406 10.888 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.086 4.395 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.319 4.296 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.341 4.671 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.231 6.579 9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.529 6.942 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.298 8.075 9.694 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.987 8.907 10.082 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.799 10.118 10.006 1.00 0.00 C ATOM 1327 C ASP A 80 -2.181 11.131 9.047 1.00 0.00 C ATOM 1328 O ASP A 80 -2.344 12.339 9.218 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.956 10.740 11.395 1.00 0.00 C ATOM 1330 CG ASP A 80 -4.197 10.247 12.112 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -5.129 9.774 11.429 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.237 10.337 13.359 1.00 0.00 O ATOM 0 H ASP A 80 -1.090 9.029 10.552 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.783 9.842 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.076 10.508 11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.001 11.825 11.301 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.472 10.632 8.040 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.832 11.497 7.055 1.00 0.00 C ATOM 1339 C LYS A 81 -1.701 11.635 5.809 1.00 0.00 C ATOM 1340 O LYS A 81 -2.040 12.744 5.395 1.00 0.00 O ATOM 1341 CB LYS A 81 0.541 10.943 6.673 1.00 0.00 C ATOM 1342 CG LYS A 81 1.399 10.564 7.870 1.00 0.00 C ATOM 1343 CD LYS A 81 1.697 11.769 8.747 1.00 0.00 C ATOM 1344 CE LYS A 81 0.663 11.923 9.850 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.273 12.400 11.122 1.00 0.00 N ATOM 0 H LYS A 81 -1.326 9.635 7.884 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.706 12.483 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.406 10.065 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.071 11.687 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.888 9.802 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.335 10.125 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.688 11.663 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.715 12.671 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.106 12.626 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.169 10.966 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.534 12.492 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.989 11.717 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.722 13.325 10.966 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.057 10.500 5.215 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.887 10.483 4.012 1.00 0.00 C ATOM 1361 C VAL A 82 -4.085 11.421 4.147 1.00 0.00 C ATOM 1362 O VAL A 82 -4.786 11.406 5.160 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.401 9.065 3.701 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.243 8.119 3.428 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.262 8.544 4.843 1.00 0.00 C ATOM 0 H VAL A 82 -1.783 9.576 5.548 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.252 10.823 3.194 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.017 9.116 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.630 7.123 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.671 8.481 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.596 8.074 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.615 7.541 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.671 8.512 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.117 9.205 4.985 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.317 12.232 3.121 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.430 13.171 3.125 1.00 0.00 C ATOM 1377 C VAL A 83 -6.379 12.896 1.963 1.00 0.00 C ATOM 1378 O VAL A 83 -7.599 12.923 2.125 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.930 14.627 3.040 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.097 15.604 3.053 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.965 14.922 4.178 1.00 0.00 C ATOM 0 H VAL A 83 -3.748 12.257 2.275 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.965 13.034 4.065 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.399 14.753 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.718 16.624 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.746 15.407 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.664 15.482 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.620 15.954 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.472 14.776 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.110 14.249 4.114 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.811 12.628 0.792 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.605 12.346 -0.398 1.00 0.00 C ATOM 1393 C GLN A 84 -6.402 10.904 -0.852 1.00 0.00 C ATOM 1394 O GLN A 84 -5.271 10.433 -0.972 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.232 13.310 -1.527 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.433 13.976 -2.179 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.307 14.052 -3.688 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -8.275 13.826 -4.416 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -6.112 14.372 -4.168 1.00 0.00 N ATOM 0 H GLN A 84 -4.803 12.600 0.642 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.657 12.485 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.570 14.080 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.671 12.767 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.336 13.423 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.549 14.982 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.337 14.551 -3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.968 14.439 -5.176 1.00 0.00 H new ATOM 1408 N THR A 85 -7.504 10.207 -1.105 1.00 0.00 N ATOM 1409 CA THR A 85 -7.446 8.818 -1.545 1.00 0.00 C ATOM 1410 C THR A 85 -8.352 8.589 -2.751 1.00 0.00 C ATOM 1411 O THR A 85 -9.390 9.235 -2.889 1.00 0.00 O ATOM 1412 CB THR A 85 -7.848 7.883 -0.405 1.00 0.00 C ATOM 1413 OG1 THR A 85 -7.802 6.530 -0.825 1.00 0.00 O ATOM 1414 CG2 THR A 85 -9.239 8.151 0.125 1.00 0.00 C ATOM 0 H THR A 85 -8.448 10.581 -1.013 1.00 0.00 H new ATOM 0 HA THR A 85 -6.419 8.600 -1.840 1.00 0.00 H new ATOM 0 HB THR A 85 -7.129 8.074 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.217 5.961 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.462 7.453 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.294 9.172 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.965 8.022 -0.677 1.00 0.00 H new ATOM 1422 N LEU A 86 -7.951 7.666 -3.618 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.727 7.351 -4.812 1.00 0.00 C ATOM 1424 C LEU A 86 -9.709 6.216 -4.538 1.00 0.00 C ATOM 1425 O LEU A 86 -9.263 5.051 -4.476 1.00 0.00 O ATOM 1426 CB LEU A 86 -7.796 6.974 -5.968 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.114 7.647 -7.302 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -9.451 7.163 -7.840 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -8.115 9.161 -7.148 1.00 0.00 C ATOM 1430 OXT LEU A 86 -10.916 6.501 -4.387 1.00 0.00 O ATOM 0 H LEU A 86 -7.094 7.123 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.296 8.238 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.773 7.225 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.833 5.893 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.339 7.375 -8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.660 7.654 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.414 6.084 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.239 7.404 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.343 9.624 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.869 9.452 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.134 9.493 -6.809 1.00 0.00 H new TER 1442 LEU A 86