USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 180:sc= 0.951 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 173:sc= 2.47 (180deg=1.23) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.338 K(o=-0.87,f=-1.7) USER MOD Set 2.2: A 41 THR OG1 : rot 70:sc= -1.2 USER MOD Set 3.1: A 37 TYR OH : rot 130:sc= -0.162 USER MOD Set 3.2: A 81 MET CE :methyl -142:sc= -0.672 (180deg=-3.32!) USER MOD Single : A 0 SER OG : rot 140:sc= -0.0162 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.378 (180deg=0.316) USER MOD Single : A -1 GLY N :NH3+ -136:sc= 1.32 (180deg=0.788) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.192 K(o=-0.19,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 1.27 (180deg=0.992) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 1.04 (180deg=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.026 (180deg=-0.227) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc=-0.00731 (180deg=-0.0848) USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= 1.16 (180deg=0.877) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.218) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 173:sc= 0.0119 USER MOD Single : A 50 SER OG : rot 9:sc= 0.755 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 130:sc= 0.141 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.01) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 2.45 (180deg=2.34) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= 0.994 (180deg=-0.268) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.717 8.642 4.889 1.00 0.00 N ATOM 2 CA GLY A -1 7.016 7.711 3.776 1.00 0.00 C ATOM 3 C GLY A -1 7.647 6.429 4.267 1.00 0.00 C ATOM 4 O GLY A -1 7.763 6.221 5.473 1.00 0.00 O ATOM 0 H1 GLY A -1 5.769 9.048 4.757 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.750 8.126 5.791 1.00 0.00 H new ATOM 0 H3 GLY A -1 7.422 9.406 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.096 7.480 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.686 8.197 3.067 1.00 0.00 H new ATOM 10 N SER A 0 8.056 5.577 3.332 1.00 0.00 N ATOM 11 CA SER A 0 8.624 4.275 3.657 1.00 0.00 C ATOM 12 C SER A 0 9.861 4.426 4.537 1.00 0.00 C ATOM 13 O SER A 0 10.765 5.196 4.221 1.00 0.00 O ATOM 14 CB SER A 0 8.984 3.520 2.372 1.00 0.00 C ATOM 15 OG SER A 0 9.537 2.248 2.660 1.00 0.00 O ATOM 0 H SER A 0 8.003 5.769 2.332 1.00 0.00 H new ATOM 0 HA SER A 0 7.877 3.705 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.093 3.400 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.697 4.106 1.791 1.00 0.00 H new ATOM 0 HG SER A 0 9.191 1.589 2.023 1.00 0.00 H new ATOM 21 N LEU A 1 9.880 3.706 5.650 1.00 0.00 N ATOM 22 CA LEU A 1 11.024 3.717 6.551 1.00 0.00 C ATOM 23 C LEU A 1 11.426 2.298 6.892 1.00 0.00 C ATOM 24 O LEU A 1 12.205 2.065 7.815 1.00 0.00 O ATOM 25 CB LEU A 1 10.674 4.428 7.856 1.00 0.00 C ATOM 26 CG LEU A 1 10.166 5.863 7.723 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.671 6.366 9.067 1.00 0.00 C ATOM 28 CD2 LEU A 1 11.256 6.771 7.176 1.00 0.00 C ATOM 0 H LEU A 1 9.113 3.105 5.951 1.00 0.00 H new ATOM 0 HA LEU A 1 11.839 4.238 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.915 3.842 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.560 4.435 8.491 1.00 0.00 H new ATOM 0 HG LEU A 1 9.334 5.875 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.311 7.389 8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.858 5.729 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.488 6.341 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.873 7.788 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.111 6.762 7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.567 6.415 6.194 1.00 0.00 H new ATOM 40 N ILE A 2 10.877 1.350 6.158 1.00 0.00 N ATOM 41 CA ILE A 2 11.036 -0.048 6.504 1.00 0.00 C ATOM 42 C ILE A 2 12.435 -0.549 6.111 1.00 0.00 C ATOM 43 O ILE A 2 12.881 -1.609 6.541 1.00 0.00 O ATOM 44 CB ILE A 2 9.898 -0.893 5.872 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.491 -2.011 6.829 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.284 -1.445 4.511 1.00 0.00 C ATOM 47 CD1 ILE A 2 8.803 -1.494 8.080 1.00 0.00 C ATOM 0 H ILE A 2 10.319 1.522 5.322 1.00 0.00 H new ATOM 0 HA ILE A 2 10.955 -0.161 7.585 1.00 0.00 H new ATOM 0 HB ILE A 2 9.042 -0.238 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.824 -2.701 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.377 -2.578 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.457 -2.029 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.510 -0.621 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.163 -2.082 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.537 -2.334 8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.477 -0.826 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.900 -0.951 7.801 1.00 0.00 H new ATOM 59 N LEU A 3 13.116 0.254 5.303 1.00 0.00 N ATOM 60 CA LEU A 3 14.531 0.070 4.969 1.00 0.00 C ATOM 61 C LEU A 3 15.249 1.375 5.312 1.00 0.00 C ATOM 62 O LEU A 3 14.621 2.311 5.811 1.00 0.00 O ATOM 63 CB LEU A 3 14.704 -0.240 3.474 1.00 0.00 C ATOM 64 CG LEU A 3 14.583 -1.708 3.040 1.00 0.00 C ATOM 65 CD1 LEU A 3 13.277 -2.327 3.485 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.694 -1.806 1.531 1.00 0.00 C ATOM 0 H LEU A 3 12.697 1.067 4.851 1.00 0.00 H new ATOM 0 HA LEU A 3 14.944 -0.768 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.962 0.337 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.684 0.123 3.166 1.00 0.00 H new ATOM 0 HG LEU A 3 15.394 -2.258 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.236 -3.365 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.208 -2.288 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.445 -1.775 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.608 -2.849 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.895 -1.226 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.659 -1.413 1.211 1.00 0.00 H new ATOM 78 N ASP A 4 16.541 1.443 5.065 1.00 0.00 N ATOM 79 CA ASP A 4 17.269 2.704 5.158 1.00 0.00 C ATOM 80 C ASP A 4 18.287 2.793 4.035 1.00 0.00 C ATOM 81 O ASP A 4 19.483 2.990 4.255 1.00 0.00 O ATOM 82 CB ASP A 4 17.936 2.896 6.533 1.00 0.00 C ATOM 83 CG ASP A 4 18.661 1.670 7.054 1.00 0.00 C ATOM 84 OD1 ASP A 4 19.735 1.321 6.524 1.00 0.00 O ATOM 85 OD2 ASP A 4 18.170 1.068 8.037 1.00 0.00 O ATOM 0 H ASP A 4 17.114 0.643 4.798 1.00 0.00 H new ATOM 0 HA ASP A 4 16.549 3.515 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.645 3.722 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.174 3.187 7.256 1.00 0.00 H new ATOM 90 N GLY A 5 17.782 2.681 2.817 1.00 0.00 N ATOM 91 CA GLY A 5 18.631 2.623 1.651 1.00 0.00 C ATOM 92 C GLY A 5 19.214 1.242 1.458 1.00 0.00 C ATOM 93 O GLY A 5 20.284 1.090 0.866 1.00 0.00 O ATOM 0 H GLY A 5 16.783 2.629 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.057 2.903 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.438 3.349 1.751 1.00 0.00 H new ATOM 97 N ASP A 6 18.500 0.226 1.925 1.00 0.00 N ATOM 98 CA ASP A 6 19.047 -1.130 1.916 1.00 0.00 C ATOM 99 C ASP A 6 18.055 -2.124 1.305 1.00 0.00 C ATOM 100 O ASP A 6 17.652 -1.935 0.160 1.00 0.00 O ATOM 101 CB ASP A 6 19.526 -1.558 3.322 1.00 0.00 C ATOM 102 CG ASP A 6 18.415 -1.796 4.324 1.00 0.00 C ATOM 103 OD1 ASP A 6 17.746 -0.832 4.729 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.211 -2.968 4.704 1.00 0.00 O ATOM 0 H ASP A 6 17.558 0.308 2.308 1.00 0.00 H new ATOM 0 HA ASP A 6 19.929 -1.132 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.114 -2.471 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.192 -0.789 3.714 1.00 0.00 H new ATOM 109 N LEU A 7 17.630 -3.146 2.055 1.00 0.00 N ATOM 110 CA LEU A 7 16.810 -4.219 1.501 1.00 0.00 C ATOM 111 C LEU A 7 16.556 -5.305 2.542 1.00 0.00 C ATOM 112 O LEU A 7 17.410 -6.164 2.762 1.00 0.00 O ATOM 113 CB LEU A 7 17.483 -4.844 0.272 1.00 0.00 C ATOM 114 CG LEU A 7 16.642 -5.881 -0.471 1.00 0.00 C ATOM 115 CD1 LEU A 7 15.367 -5.245 -1.000 1.00 0.00 C ATOM 116 CD2 LEU A 7 17.441 -6.504 -1.605 1.00 0.00 C ATOM 0 H LEU A 7 17.842 -3.249 3.047 1.00 0.00 H new ATOM 0 HA LEU A 7 15.858 -3.780 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.746 -4.047 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.415 -5.313 0.587 1.00 0.00 H new ATOM 0 HG LEU A 7 16.369 -6.672 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.778 -5.995 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.787 -4.847 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.621 -4.436 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.825 -7.240 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.744 -5.727 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.327 -6.993 -1.200 1.00 0.00 H new ATOM 128 N LEU A 8 15.392 -5.258 3.186 1.00 0.00 N ATOM 129 CA LEU A 8 15.002 -6.311 4.117 1.00 0.00 C ATOM 130 C LEU A 8 14.943 -7.647 3.403 1.00 0.00 C ATOM 131 O LEU A 8 14.366 -7.759 2.318 1.00 0.00 O ATOM 132 CB LEU A 8 13.641 -6.032 4.761 1.00 0.00 C ATOM 133 CG LEU A 8 13.604 -4.884 5.770 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.190 -4.699 6.300 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.571 -5.146 6.915 1.00 0.00 C ATOM 0 H LEU A 8 14.708 -4.508 3.081 1.00 0.00 H new ATOM 0 HA LEU A 8 15.756 -6.337 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.923 -5.818 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.304 -6.940 5.260 1.00 0.00 H new ATOM 0 HG LEU A 8 13.912 -3.968 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.175 -3.879 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.518 -4.469 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.862 -5.616 6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.530 -4.318 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.293 -6.070 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.584 -5.238 6.522 1.00 0.00 H new ATOM 147 N LYS A 9 15.558 -8.646 4.007 1.00 0.00 N ATOM 148 CA LYS A 9 15.565 -9.987 3.456 1.00 0.00 C ATOM 149 C LYS A 9 15.014 -10.975 4.474 1.00 0.00 C ATOM 150 O LYS A 9 14.814 -12.149 4.166 1.00 0.00 O ATOM 151 CB LYS A 9 16.982 -10.378 3.039 1.00 0.00 C ATOM 152 CG LYS A 9 17.602 -9.410 2.045 1.00 0.00 C ATOM 153 CD LYS A 9 19.042 -9.767 1.731 1.00 0.00 C ATOM 154 CE LYS A 9 19.698 -8.704 0.865 1.00 0.00 C ATOM 155 NZ LYS A 9 19.800 -7.396 1.567 1.00 0.00 N ATOM 0 H LYS A 9 16.064 -8.552 4.888 1.00 0.00 H new ATOM 0 HA LYS A 9 14.927 -10.010 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 9 17.613 -10.432 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.963 -11.376 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.019 -9.412 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.558 -8.398 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.602 -9.879 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.077 -10.729 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.694 -9.038 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.123 -8.579 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.343 -6.729 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.846 -7.015 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.282 -7.528 2.479 1.00 0.00 H new ATOM 169 N ASP A 10 14.782 -10.491 5.696 1.00 0.00 N ATOM 170 CA ASP A 10 14.130 -11.300 6.725 1.00 0.00 C ATOM 171 C ASP A 10 12.738 -11.669 6.245 1.00 0.00 C ATOM 172 O ASP A 10 12.310 -12.821 6.343 1.00 0.00 O ATOM 173 CB ASP A 10 14.044 -10.551 8.060 1.00 0.00 C ATOM 174 CG ASP A 10 15.404 -10.202 8.631 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.615 -9.024 9.000 1.00 0.00 O ATOM 176 OD2 ASP A 10 16.275 -11.094 8.708 1.00 0.00 O ATOM 0 H ASP A 10 15.034 -9.549 5.995 1.00 0.00 H new ATOM 0 HA ASP A 10 14.723 -12.199 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.469 -9.636 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.500 -11.163 8.779 1.00 0.00 H new ATOM 181 N LYS A 11 12.033 -10.672 5.734 1.00 0.00 N ATOM 182 CA LYS A 11 10.819 -10.907 4.982 1.00 0.00 C ATOM 183 C LYS A 11 11.142 -10.805 3.503 1.00 0.00 C ATOM 184 O LYS A 11 11.559 -9.750 3.026 1.00 0.00 O ATOM 185 CB LYS A 11 9.715 -9.916 5.361 1.00 0.00 C ATOM 186 CG LYS A 11 8.860 -10.378 6.529 1.00 0.00 C ATOM 187 CD LYS A 11 7.653 -9.475 6.722 1.00 0.00 C ATOM 188 CE LYS A 11 6.623 -10.101 7.653 1.00 0.00 C ATOM 189 NZ LYS A 11 7.144 -10.297 9.031 1.00 0.00 N ATOM 0 H LYS A 11 12.286 -9.688 5.829 1.00 0.00 H new ATOM 0 HA LYS A 11 10.443 -11.903 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.169 -8.957 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.074 -9.750 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.527 -11.401 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.459 -10.387 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.977 -8.517 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.193 -9.271 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.738 -9.466 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.308 -11.062 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.405 -10.725 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.972 -10.925 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.420 -9.378 9.432 1.00 0.00 H new ATOM 203 N LEU A 12 10.997 -11.921 2.804 1.00 0.00 N ATOM 204 CA LEU A 12 11.347 -12.007 1.395 1.00 0.00 C ATOM 205 C LEU A 12 11.020 -13.398 0.878 1.00 0.00 C ATOM 206 O LEU A 12 11.206 -14.382 1.596 1.00 0.00 O ATOM 207 CB LEU A 12 12.843 -11.725 1.202 1.00 0.00 C ATOM 208 CG LEU A 12 13.314 -11.628 -0.250 1.00 0.00 C ATOM 209 CD1 LEU A 12 12.574 -10.518 -0.975 1.00 0.00 C ATOM 210 CD2 LEU A 12 14.815 -11.390 -0.306 1.00 0.00 C ATOM 0 H LEU A 12 10.634 -12.790 3.197 1.00 0.00 H new ATOM 0 HA LEU A 12 10.774 -11.264 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.087 -10.791 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.410 -12.513 1.698 1.00 0.00 H new ATOM 0 HG LEU A 12 13.094 -12.572 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.921 -10.463 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.504 -10.726 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.765 -9.568 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.134 -11.323 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.055 -10.459 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.333 -12.217 0.180 1.00 0.00 H new ATOM 222 N LYS A 13 10.520 -13.475 -0.357 1.00 0.00 N ATOM 223 CA LYS A 13 10.239 -14.758 -1.006 1.00 0.00 C ATOM 224 C LYS A 13 9.148 -15.522 -0.257 1.00 0.00 C ATOM 225 O LYS A 13 9.070 -16.748 -0.329 1.00 0.00 O ATOM 226 CB LYS A 13 11.515 -15.607 -1.070 1.00 0.00 C ATOM 227 CG LYS A 13 12.684 -14.912 -1.754 1.00 0.00 C ATOM 228 CD LYS A 13 14.015 -15.493 -1.303 1.00 0.00 C ATOM 229 CE LYS A 13 14.236 -15.278 0.189 1.00 0.00 C ATOM 230 NZ LYS A 13 15.570 -15.751 0.642 1.00 0.00 N ATOM 0 H LYS A 13 10.300 -12.660 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 13 9.888 -14.556 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.810 -15.880 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.296 -16.535 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.588 -15.014 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.656 -13.845 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.043 -16.559 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.826 -15.028 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.133 -14.217 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.460 -15.802 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.670 -15.582 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.661 -16.769 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.314 -15.234 0.131 1.00 0.00 H new ATOM 244 N LEU A 14 8.301 -14.790 0.443 1.00 0.00 N ATOM 245 CA LEU A 14 7.291 -15.381 1.290 1.00 0.00 C ATOM 246 C LEU A 14 5.928 -15.412 0.601 1.00 0.00 C ATOM 247 O LEU A 14 5.721 -14.744 -0.415 1.00 0.00 O ATOM 248 CB LEU A 14 7.204 -14.577 2.583 1.00 0.00 C ATOM 249 CG LEU A 14 8.486 -14.541 3.419 1.00 0.00 C ATOM 250 CD1 LEU A 14 8.273 -13.722 4.683 1.00 0.00 C ATOM 251 CD2 LEU A 14 8.939 -15.950 3.768 1.00 0.00 C ATOM 0 H LEU A 14 8.297 -13.770 0.438 1.00 0.00 H new ATOM 0 HA LEU A 14 7.573 -16.412 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.922 -13.553 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.402 -14.990 3.195 1.00 0.00 H new ATOM 0 HG LEU A 14 9.269 -14.067 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.194 -13.706 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.997 -12.703 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.476 -14.169 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.852 -15.902 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.159 -16.452 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.132 -16.508 2.852 1.00 0.00 H new ATOM 263 N PRO A 15 4.998 -16.234 1.123 1.00 0.00 N ATOM 264 CA PRO A 15 3.581 -16.217 0.719 1.00 0.00 C ATOM 265 C PRO A 15 2.900 -14.903 1.085 1.00 0.00 C ATOM 266 O PRO A 15 3.558 -13.876 1.260 1.00 0.00 O ATOM 267 CB PRO A 15 2.966 -17.369 1.528 1.00 0.00 C ATOM 268 CG PRO A 15 4.115 -18.217 1.919 1.00 0.00 C ATOM 269 CD PRO A 15 5.257 -17.276 2.127 1.00 0.00 C ATOM 0 HA PRO A 15 3.462 -16.321 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.434 -16.997 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.246 -17.930 0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.897 -18.776 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.345 -18.947 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.269 -16.870 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.219 -17.763 1.967 1.00 0.00 H new ATOM 277 N VAL A 16 1.580 -14.932 1.181 1.00 0.00 N ATOM 278 CA VAL A 16 0.833 -13.761 1.616 1.00 0.00 C ATOM 279 C VAL A 16 1.272 -13.335 3.015 1.00 0.00 C ATOM 280 O VAL A 16 1.143 -14.075 3.995 1.00 0.00 O ATOM 281 CB VAL A 16 -0.700 -13.979 1.559 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.109 -15.219 2.340 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.449 -12.745 2.060 1.00 0.00 C ATOM 0 H VAL A 16 1.006 -15.747 0.965 1.00 0.00 H new ATOM 0 HA VAL A 16 1.061 -12.957 0.916 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.974 -14.137 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.190 -15.346 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.618 -16.095 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.813 -15.106 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.523 -12.926 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.164 -12.540 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.195 -11.887 1.437 1.00 0.00 H new ATOM 293 N ILE A 17 1.823 -12.141 3.068 1.00 0.00 N ATOM 294 CA ILE A 17 2.351 -11.559 4.287 1.00 0.00 C ATOM 295 C ILE A 17 1.200 -11.178 5.218 1.00 0.00 C ATOM 296 O ILE A 17 0.055 -11.063 4.773 1.00 0.00 O ATOM 297 CB ILE A 17 3.188 -10.300 3.952 1.00 0.00 C ATOM 298 CG1 ILE A 17 4.112 -10.554 2.754 1.00 0.00 C ATOM 299 CG2 ILE A 17 4.009 -9.854 5.146 1.00 0.00 C ATOM 300 CD1 ILE A 17 5.245 -11.517 3.035 1.00 0.00 C ATOM 0 H ILE A 17 1.919 -11.536 2.252 1.00 0.00 H new ATOM 0 HA ILE A 17 2.989 -12.291 4.783 1.00 0.00 H new ATOM 0 HB ILE A 17 2.488 -9.506 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.517 -10.942 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.532 -9.603 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.586 -8.968 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.344 -9.618 5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.688 -10.654 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.849 -11.640 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.867 -11.123 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.836 -12.483 3.333 1.00 0.00 H new ATOM 312 N ASP A 18 1.504 -10.996 6.500 1.00 0.00 N ATOM 313 CA ASP A 18 0.505 -10.588 7.489 1.00 0.00 C ATOM 314 C ASP A 18 -0.287 -9.385 6.992 1.00 0.00 C ATOM 315 O ASP A 18 0.292 -8.391 6.549 1.00 0.00 O ATOM 316 CB ASP A 18 1.176 -10.216 8.818 1.00 0.00 C ATOM 317 CG ASP A 18 1.930 -11.364 9.456 1.00 0.00 C ATOM 318 OD1 ASP A 18 3.080 -11.627 9.044 1.00 0.00 O ATOM 319 OD2 ASP A 18 1.392 -11.986 10.392 1.00 0.00 O ATOM 0 H ASP A 18 2.441 -11.125 6.882 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.167 -11.432 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.865 -9.389 8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.415 -9.860 9.513 1.00 0.00 H new ATOM 324 N ASN A 19 -1.610 -9.479 7.057 1.00 0.00 N ATOM 325 CA ASN A 19 -2.472 -8.358 6.693 1.00 0.00 C ATOM 326 C ASN A 19 -2.173 -7.166 7.591 1.00 0.00 C ATOM 327 O ASN A 19 -2.236 -6.018 7.157 1.00 0.00 O ATOM 328 CB ASN A 19 -3.961 -8.737 6.775 1.00 0.00 C ATOM 329 CG ASN A 19 -4.449 -9.012 8.189 1.00 0.00 C ATOM 330 OD1 ASN A 19 -3.701 -9.493 9.042 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.710 -8.706 8.443 1.00 0.00 N ATOM 0 H ASN A 19 -2.109 -10.316 7.357 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.262 -8.090 5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.555 -7.930 6.346 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.135 -9.622 6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.096 -8.867 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.296 -8.309 7.709 1.00 0.00 H new ATOM 338 N LEU A 20 -1.827 -7.456 8.842 1.00 0.00 N ATOM 339 CA LEU A 20 -1.383 -6.438 9.774 1.00 0.00 C ATOM 340 C LEU A 20 -0.161 -5.719 9.249 1.00 0.00 C ATOM 341 O LEU A 20 -0.090 -4.504 9.310 1.00 0.00 O ATOM 342 CB LEU A 20 -1.050 -7.046 11.132 1.00 0.00 C ATOM 343 CG LEU A 20 -2.131 -6.903 12.195 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.643 -7.499 13.503 1.00 0.00 C ATOM 345 CD2 LEU A 20 -2.500 -5.437 12.378 1.00 0.00 C ATOM 0 H LEU A 20 -1.848 -8.399 9.231 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.202 -5.727 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.838 -8.106 10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.136 -6.584 11.504 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.023 -7.441 11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.419 -7.395 14.262 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.415 -8.555 13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.744 -6.975 13.829 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.274 -5.349 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.619 -4.876 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.872 -5.035 11.436 1.00 0.00 H new ATOM 357 N PHE A 21 0.796 -6.477 8.730 1.00 0.00 N ATOM 358 CA PHE A 21 2.039 -5.901 8.240 1.00 0.00 C ATOM 359 C PHE A 21 1.765 -4.975 7.061 1.00 0.00 C ATOM 360 O PHE A 21 2.334 -3.890 6.969 1.00 0.00 O ATOM 361 CB PHE A 21 3.020 -7.006 7.839 1.00 0.00 C ATOM 362 CG PHE A 21 4.379 -6.494 7.456 1.00 0.00 C ATOM 363 CD1 PHE A 21 5.255 -6.030 8.423 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.781 -6.478 6.131 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.507 -5.559 8.075 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.029 -6.008 5.778 1.00 0.00 C ATOM 367 CZ PHE A 21 6.894 -5.547 6.750 1.00 0.00 C ATOM 0 H PHE A 21 0.735 -7.491 8.638 1.00 0.00 H new ATOM 0 HA PHE A 21 2.490 -5.316 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.125 -7.706 8.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.602 -7.565 7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.956 -6.036 9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.110 -6.838 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.182 -5.201 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.329 -6.001 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.871 -5.178 6.475 1.00 0.00 H new ATOM 377 N GLY A 22 0.874 -5.403 6.176 1.00 0.00 N ATOM 378 CA GLY A 22 0.497 -4.578 5.044 1.00 0.00 C ATOM 379 C GLY A 22 -0.258 -3.340 5.480 1.00 0.00 C ATOM 380 O GLY A 22 0.023 -2.231 5.018 1.00 0.00 O ATOM 0 H GLY A 22 0.405 -6.308 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.391 -4.284 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.121 -5.159 4.360 1.00 0.00 H new ATOM 384 N LYS A 23 -1.211 -3.538 6.382 1.00 0.00 N ATOM 385 CA LYS A 23 -1.996 -2.442 6.929 1.00 0.00 C ATOM 386 C LYS A 23 -1.094 -1.487 7.704 1.00 0.00 C ATOM 387 O LYS A 23 -1.285 -0.277 7.676 1.00 0.00 O ATOM 388 CB LYS A 23 -3.096 -2.990 7.845 1.00 0.00 C ATOM 389 CG LYS A 23 -3.969 -1.906 8.451 1.00 0.00 C ATOM 390 CD LYS A 23 -5.191 -1.602 7.598 1.00 0.00 C ATOM 391 CE LYS A 23 -6.277 -2.649 7.786 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.555 -2.250 7.134 1.00 0.00 N ATOM 0 H LYS A 23 -1.459 -4.456 6.752 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.461 -1.897 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.724 -3.677 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.637 -3.568 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.291 -2.216 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.381 -0.997 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.583 -0.619 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.902 -1.561 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.940 -3.599 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.447 -2.808 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.331 -2.837 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.751 -1.249 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.477 -2.385 6.106 1.00 0.00 H new ATOM 406 N GLU A 24 -0.115 -2.059 8.390 1.00 0.00 N ATOM 407 CA GLU A 24 0.872 -1.317 9.138 1.00 0.00 C ATOM 408 C GLU A 24 1.573 -0.290 8.263 1.00 0.00 C ATOM 409 O GLU A 24 1.550 0.901 8.566 1.00 0.00 O ATOM 410 CB GLU A 24 1.874 -2.310 9.699 1.00 0.00 C ATOM 411 CG GLU A 24 1.833 -2.439 11.199 1.00 0.00 C ATOM 412 CD GLU A 24 2.766 -1.469 11.885 1.00 0.00 C ATOM 413 OE1 GLU A 24 3.781 -1.918 12.452 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.509 -0.251 11.836 1.00 0.00 O ATOM 0 H GLU A 24 0.012 -3.070 8.439 1.00 0.00 H new ATOM 0 HA GLU A 24 0.385 -0.769 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.689 -3.288 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.877 -2.008 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.815 -2.268 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.100 -3.457 11.481 1.00 0.00 H new ATOM 421 N LEU A 25 2.188 -0.760 7.178 1.00 0.00 N ATOM 422 CA LEU A 25 2.878 0.115 6.237 1.00 0.00 C ATOM 423 C LEU A 25 1.947 1.243 5.804 1.00 0.00 C ATOM 424 O LEU A 25 2.270 2.420 5.940 1.00 0.00 O ATOM 425 CB LEU A 25 3.299 -0.663 4.992 1.00 0.00 C ATOM 426 CG LEU A 25 3.855 -2.059 5.230 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.650 -2.914 3.991 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.319 -1.995 5.637 1.00 0.00 C ATOM 0 H LEU A 25 2.221 -1.749 6.930 1.00 0.00 H new ATOM 0 HA LEU A 25 3.761 0.519 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.436 -0.746 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.052 -0.080 4.462 1.00 0.00 H new ATOM 0 HG LEU A 25 3.314 -2.524 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.050 -3.912 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.585 -2.984 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.167 -2.460 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.695 -3.005 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.896 -1.517 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.416 -1.417 6.556 1.00 0.00 H new ATOM 440 N LEU A 26 0.786 0.855 5.279 1.00 0.00 N ATOM 441 CA LEU A 26 -0.240 1.790 4.875 1.00 0.00 C ATOM 442 C LEU A 26 -0.575 2.798 5.973 1.00 0.00 C ATOM 443 O LEU A 26 -0.639 3.994 5.715 1.00 0.00 O ATOM 444 CB LEU A 26 -1.490 1.020 4.464 1.00 0.00 C ATOM 445 CG LEU A 26 -1.462 0.486 3.037 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.607 -0.483 2.793 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.490 1.620 2.057 1.00 0.00 C ATOM 0 H LEU A 26 0.538 -0.122 5.125 1.00 0.00 H new ATOM 0 HA LEU A 26 0.143 2.361 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.628 0.183 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.357 1.671 4.578 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.533 -0.066 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.562 -0.848 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.525 -1.324 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.556 0.027 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.470 1.224 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.400 2.203 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.621 2.259 2.215 1.00 0.00 H new ATOM 459 N ASP A 27 -0.796 2.318 7.190 1.00 0.00 N ATOM 460 CA ASP A 27 -1.155 3.196 8.305 1.00 0.00 C ATOM 461 C ASP A 27 -0.018 4.170 8.602 1.00 0.00 C ATOM 462 O ASP A 27 -0.249 5.350 8.875 1.00 0.00 O ATOM 463 CB ASP A 27 -1.487 2.377 9.554 1.00 0.00 C ATOM 464 CG ASP A 27 -2.148 3.211 10.635 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.433 3.751 11.506 1.00 0.00 O ATOM 466 OD2 ASP A 27 -3.391 3.327 10.621 1.00 0.00 O ATOM 0 H ASP A 27 -0.734 1.329 7.433 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.040 3.765 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.147 1.554 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.572 1.935 9.949 1.00 0.00 H new ATOM 471 N LYS A 28 1.208 3.661 8.532 1.00 0.00 N ATOM 472 CA LYS A 28 2.409 4.472 8.708 1.00 0.00 C ATOM 473 C LYS A 28 2.449 5.626 7.715 1.00 0.00 C ATOM 474 O LYS A 28 2.648 6.780 8.090 1.00 0.00 O ATOM 475 CB LYS A 28 3.660 3.620 8.489 1.00 0.00 C ATOM 476 CG LYS A 28 3.971 2.627 9.589 1.00 0.00 C ATOM 477 CD LYS A 28 4.579 1.363 9.005 1.00 0.00 C ATOM 478 CE LYS A 28 5.509 0.675 9.979 1.00 0.00 C ATOM 479 NZ LYS A 28 4.967 0.656 11.363 1.00 0.00 N ATOM 0 H LYS A 28 1.397 2.675 8.352 1.00 0.00 H new ATOM 0 HA LYS A 28 2.385 4.866 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.548 3.075 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.516 4.285 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.661 3.073 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.060 2.381 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.782 0.677 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.127 1.611 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.686 -0.348 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.474 1.183 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.313 -0.190 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.281 1.508 11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.928 0.637 11.329 1.00 0.00 H new ATOM 493 N PHE A 29 2.262 5.300 6.442 1.00 0.00 N ATOM 494 CA PHE A 29 2.458 6.266 5.369 1.00 0.00 C ATOM 495 C PHE A 29 1.134 6.880 4.938 1.00 0.00 C ATOM 496 O PHE A 29 1.065 7.539 3.904 1.00 0.00 O ATOM 497 CB PHE A 29 3.115 5.602 4.148 1.00 0.00 C ATOM 498 CG PHE A 29 4.147 4.556 4.471 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.234 3.404 3.705 1.00 0.00 C ATOM 500 CD2 PHE A 29 5.021 4.711 5.535 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.169 2.430 3.994 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.958 3.739 5.828 1.00 0.00 C ATOM 503 CZ PHE A 29 6.032 2.597 5.057 1.00 0.00 C ATOM 0 H PHE A 29 1.975 4.373 6.128 1.00 0.00 H new ATOM 0 HA PHE A 29 3.111 7.049 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.335 5.145 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.583 6.376 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.562 3.266 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.969 5.602 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.225 1.538 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.633 3.873 6.661 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.764 1.836 5.285 1.00 0.00 H new ATOM 513 N GLN A 30 0.091 6.678 5.736 1.00 0.00 N ATOM 514 CA GLN A 30 -1.252 7.101 5.359 1.00 0.00 C ATOM 515 C GLN A 30 -1.314 8.605 5.113 1.00 0.00 C ATOM 516 O GLN A 30 -2.076 9.069 4.271 1.00 0.00 O ATOM 517 CB GLN A 30 -2.279 6.680 6.418 1.00 0.00 C ATOM 518 CG GLN A 30 -2.961 7.829 7.109 1.00 0.00 C ATOM 519 CD GLN A 30 -4.473 7.687 7.181 1.00 0.00 C ATOM 520 OE1 GLN A 30 -5.194 8.684 7.190 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.965 6.458 7.227 1.00 0.00 N ATOM 0 H GLN A 30 0.150 6.224 6.648 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.503 6.601 4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.036 6.055 5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.780 6.065 7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.565 7.920 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.716 8.753 6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.335 5.656 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.974 6.314 7.272 1.00 0.00 H new ATOM 530 N ASP A 31 -0.496 9.358 5.834 1.00 0.00 N ATOM 531 CA ASP A 31 -0.477 10.806 5.693 1.00 0.00 C ATOM 532 C ASP A 31 0.129 11.208 4.355 1.00 0.00 C ATOM 533 O ASP A 31 -0.248 12.222 3.773 1.00 0.00 O ATOM 534 CB ASP A 31 0.303 11.448 6.840 1.00 0.00 C ATOM 535 CG ASP A 31 1.748 11.001 6.900 1.00 0.00 C ATOM 536 OD1 ASP A 31 2.011 9.876 7.371 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.629 11.783 6.489 1.00 0.00 O ATOM 0 H ASP A 31 0.162 8.991 6.521 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.506 11.164 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.269 12.532 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.185 11.206 7.784 1.00 0.00 H new ATOM 542 N ASP A 32 1.058 10.397 3.871 1.00 0.00 N ATOM 543 CA ASP A 32 1.659 10.610 2.555 1.00 0.00 C ATOM 544 C ASP A 32 0.712 10.113 1.477 1.00 0.00 C ATOM 545 O ASP A 32 0.507 10.766 0.455 1.00 0.00 O ATOM 546 CB ASP A 32 2.999 9.874 2.421 1.00 0.00 C ATOM 547 CG ASP A 32 4.137 10.557 3.151 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.607 10.015 4.170 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.580 11.632 2.701 1.00 0.00 O ATOM 0 H ASP A 32 1.416 9.582 4.369 1.00 0.00 H new ATOM 0 HA ASP A 32 1.840 11.679 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.888 8.860 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.254 9.789 1.365 1.00 0.00 H new ATOM 554 N ILE A 33 0.135 8.949 1.729 1.00 0.00 N ATOM 555 CA ILE A 33 -0.824 8.340 0.823 1.00 0.00 C ATOM 556 C ILE A 33 -2.040 9.248 0.639 1.00 0.00 C ATOM 557 O ILE A 33 -2.608 9.347 -0.449 1.00 0.00 O ATOM 558 CB ILE A 33 -1.264 6.954 1.356 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.049 6.017 1.433 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.346 6.351 0.471 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.324 4.688 2.110 1.00 0.00 C ATOM 0 H ILE A 33 0.319 8.400 2.569 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.344 8.205 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.680 7.081 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.313 5.828 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.753 6.525 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.638 5.378 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.213 7.012 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.962 6.231 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.587 4.090 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.655 4.863 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.102 4.155 1.563 1.00 0.00 H new ATOM 573 N LYS A 34 -2.412 9.943 1.696 1.00 0.00 N ATOM 574 CA LYS A 34 -3.550 10.837 1.659 1.00 0.00 C ATOM 575 C LYS A 34 -3.152 12.160 1.032 1.00 0.00 C ATOM 576 O LYS A 34 -3.902 12.744 0.252 1.00 0.00 O ATOM 577 CB LYS A 34 -4.084 11.036 3.069 1.00 0.00 C ATOM 578 CG LYS A 34 -5.379 11.825 3.130 1.00 0.00 C ATOM 579 CD LYS A 34 -5.129 13.320 3.236 1.00 0.00 C ATOM 580 CE LYS A 34 -6.427 14.109 3.316 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.223 13.744 4.516 1.00 0.00 N ATOM 0 H LYS A 34 -1.937 9.904 2.598 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.340 10.400 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.242 10.060 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.329 11.549 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.972 11.619 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.966 11.494 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.525 13.525 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.554 13.654 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.203 15.175 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.018 13.927 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.990 14.434 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.629 12.795 4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.608 13.746 5.355 1.00 0.00 H new ATOM 595 N ASP A 35 -1.969 12.619 1.383 1.00 0.00 N ATOM 596 CA ASP A 35 -1.408 13.832 0.799 1.00 0.00 C ATOM 597 C ASP A 35 -1.366 13.737 -0.723 1.00 0.00 C ATOM 598 O ASP A 35 -1.763 14.665 -1.430 1.00 0.00 O ATOM 599 CB ASP A 35 0.002 14.077 1.332 1.00 0.00 C ATOM 600 CG ASP A 35 0.660 15.295 0.715 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.367 15.146 -0.302 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.485 16.408 1.251 1.00 0.00 O ATOM 0 H ASP A 35 -1.369 12.170 2.075 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.051 14.665 1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.040 14.202 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.617 13.199 1.136 1.00 0.00 H new ATOM 607 N LYS A 36 -0.891 12.602 -1.216 1.00 0.00 N ATOM 608 CA LYS A 36 -0.724 12.397 -2.647 1.00 0.00 C ATOM 609 C LYS A 36 -2.022 11.991 -3.332 1.00 0.00 C ATOM 610 O LYS A 36 -2.453 12.630 -4.293 1.00 0.00 O ATOM 611 CB LYS A 36 0.334 11.340 -2.904 1.00 0.00 C ATOM 612 CG LYS A 36 1.720 11.771 -2.489 1.00 0.00 C ATOM 613 CD LYS A 36 2.682 10.623 -2.594 1.00 0.00 C ATOM 614 CE LYS A 36 4.071 11.003 -2.114 1.00 0.00 C ATOM 615 NZ LYS A 36 4.689 12.064 -2.953 1.00 0.00 N ATOM 0 H LYS A 36 -0.613 11.806 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.411 13.352 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.067 10.430 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.340 11.092 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.056 12.593 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.700 12.144 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.311 9.784 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.735 10.287 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.014 11.347 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.710 10.120 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.677 12.206 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.661 11.777 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.162 12.952 -2.833 1.00 0.00 H new ATOM 629 N TYR A 37 -2.641 10.929 -2.838 1.00 0.00 N ATOM 630 CA TYR A 37 -3.772 10.315 -3.527 1.00 0.00 C ATOM 631 C TYR A 37 -5.086 10.654 -2.835 1.00 0.00 C ATOM 632 O TYR A 37 -6.131 10.760 -3.477 1.00 0.00 O ATOM 633 CB TYR A 37 -3.585 8.795 -3.569 1.00 0.00 C ATOM 634 CG TYR A 37 -2.147 8.371 -3.774 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.486 8.618 -4.970 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.446 7.736 -2.759 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.167 8.244 -5.143 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.131 7.357 -2.925 1.00 0.00 C ATOM 639 CZ TYR A 37 0.505 7.613 -4.117 1.00 0.00 C ATOM 640 OH TYR A 37 1.821 7.241 -4.281 1.00 0.00 O ATOM 0 H TYR A 37 -2.381 10.473 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.811 10.709 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.953 8.365 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.195 8.384 -4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.010 9.109 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.940 7.535 -1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.336 8.445 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.397 6.862 -2.123 1.00 0.00 H new ATOM 0 HH TYR A 37 2.349 7.561 -3.520 1.00 0.00 H new ATOM 650 N GLY A 38 -5.025 10.828 -1.524 1.00 0.00 N ATOM 651 CA GLY A 38 -6.223 11.109 -0.756 1.00 0.00 C ATOM 652 C GLY A 38 -6.918 9.840 -0.319 1.00 0.00 C ATOM 653 O GLY A 38 -8.087 9.622 -0.629 1.00 0.00 O ATOM 0 H GLY A 38 -4.166 10.780 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.962 11.702 0.121 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.907 11.710 -1.355 1.00 0.00 H new ATOM 657 N VAL A 39 -6.191 8.997 0.396 1.00 0.00 N ATOM 658 CA VAL A 39 -6.692 7.698 0.796 1.00 0.00 C ATOM 659 C VAL A 39 -6.614 7.523 2.307 1.00 0.00 C ATOM 660 O VAL A 39 -5.719 8.064 2.960 1.00 0.00 O ATOM 661 CB VAL A 39 -5.852 6.587 0.151 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.464 5.224 0.401 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.670 6.827 -1.340 1.00 0.00 C ATOM 0 H VAL A 39 -5.242 9.195 0.713 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.730 7.634 0.471 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.868 6.608 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.847 4.457 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.518 5.041 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.467 5.192 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.071 6.023 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.645 6.851 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.163 7.779 -1.496 1.00 0.00 H new ATOM 673 N ASP A 40 -7.552 6.767 2.851 1.00 0.00 N ATOM 674 CA ASP A 40 -7.486 6.341 4.239 1.00 0.00 C ATOM 675 C ASP A 40 -7.126 4.868 4.297 1.00 0.00 C ATOM 676 O ASP A 40 -7.908 4.009 3.893 1.00 0.00 O ATOM 677 CB ASP A 40 -8.804 6.576 4.969 1.00 0.00 C ATOM 678 CG ASP A 40 -8.797 5.970 6.359 1.00 0.00 C ATOM 679 OD1 ASP A 40 -9.807 5.342 6.739 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.773 6.101 7.067 1.00 0.00 O ATOM 0 H ASP A 40 -8.374 6.433 2.348 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.721 6.936 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.993 7.647 5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.621 6.146 4.390 1.00 0.00 H new ATOM 685 N THR A 41 -5.947 4.584 4.805 1.00 0.00 N ATOM 686 CA THR A 41 -5.416 3.235 4.799 1.00 0.00 C ATOM 687 C THR A 41 -6.096 2.354 5.839 1.00 0.00 C ATOM 688 O THR A 41 -6.004 1.127 5.788 1.00 0.00 O ATOM 689 CB THR A 41 -3.910 3.270 5.048 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.638 3.974 6.265 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.202 3.959 3.894 1.00 0.00 C ATOM 0 H THR A 41 -5.331 5.276 5.232 1.00 0.00 H new ATOM 0 HA THR A 41 -5.616 2.802 3.819 1.00 0.00 H new ATOM 0 HB THR A 41 -3.543 2.247 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.943 3.439 7.027 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.129 3.977 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.398 3.415 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.571 4.980 3.798 1.00 0.00 H new ATOM 699 N LYS A 42 -6.790 2.986 6.772 1.00 0.00 N ATOM 700 CA LYS A 42 -7.522 2.273 7.799 1.00 0.00 C ATOM 701 C LYS A 42 -8.771 1.628 7.203 1.00 0.00 C ATOM 702 O LYS A 42 -9.268 0.619 7.706 1.00 0.00 O ATOM 703 CB LYS A 42 -7.901 3.245 8.912 1.00 0.00 C ATOM 704 CG LYS A 42 -6.705 3.928 9.556 1.00 0.00 C ATOM 705 CD LYS A 42 -7.138 5.005 10.536 1.00 0.00 C ATOM 706 CE LYS A 42 -5.944 5.677 11.197 1.00 0.00 C ATOM 707 NZ LYS A 42 -5.133 4.719 11.993 1.00 0.00 N ATOM 0 H LYS A 42 -6.860 4.002 6.836 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.895 1.483 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.569 4.005 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.458 2.707 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.097 3.186 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.077 4.370 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.734 5.754 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.778 4.565 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.317 6.134 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.294 6.481 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.925 5.131 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.664 3.833 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.241 4.522 11.495 1.00 0.00 H new ATOM 721 N ASP A 43 -9.252 2.213 6.112 1.00 0.00 N ATOM 722 CA ASP A 43 -10.444 1.726 5.422 1.00 0.00 C ATOM 723 C ASP A 43 -10.062 0.647 4.418 1.00 0.00 C ATOM 724 O ASP A 43 -10.873 -0.206 4.049 1.00 0.00 O ATOM 725 CB ASP A 43 -11.139 2.895 4.711 1.00 0.00 C ATOM 726 CG ASP A 43 -12.335 2.465 3.889 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.270 2.546 2.644 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.356 2.061 4.484 1.00 0.00 O ATOM 0 H ASP A 43 -8.830 3.035 5.681 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.131 1.294 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.460 3.625 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.421 3.396 4.062 1.00 0.00 H new ATOM 733 N LEU A 44 -8.805 0.685 4.008 1.00 0.00 N ATOM 734 CA LEU A 44 -8.266 -0.245 3.027 1.00 0.00 C ATOM 735 C LEU A 44 -8.244 -1.672 3.557 1.00 0.00 C ATOM 736 O LEU A 44 -7.468 -1.997 4.458 1.00 0.00 O ATOM 737 CB LEU A 44 -6.850 0.180 2.640 1.00 0.00 C ATOM 738 CG LEU A 44 -6.726 1.031 1.373 1.00 0.00 C ATOM 739 CD1 LEU A 44 -7.805 2.100 1.314 1.00 0.00 C ATOM 740 CD2 LEU A 44 -5.342 1.654 1.306 1.00 0.00 C ATOM 0 H LEU A 44 -8.125 1.365 4.348 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.915 -0.222 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.420 0.738 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.245 -0.718 2.511 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.866 0.383 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.688 2.686 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.787 1.627 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.716 2.755 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.258 2.259 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.184 2.285 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.589 0.866 1.286 1.00 0.00 H new ATOM 752 N LYS A 45 -9.108 -2.512 3.007 1.00 0.00 N ATOM 753 CA LYS A 45 -9.121 -3.921 3.333 1.00 0.00 C ATOM 754 C LYS A 45 -7.910 -4.611 2.728 1.00 0.00 C ATOM 755 O LYS A 45 -7.780 -4.689 1.504 1.00 0.00 O ATOM 756 CB LYS A 45 -10.408 -4.559 2.823 1.00 0.00 C ATOM 757 CG LYS A 45 -10.401 -6.071 2.886 1.00 0.00 C ATOM 758 CD LYS A 45 -10.043 -6.583 4.270 1.00 0.00 C ATOM 759 CE LYS A 45 -9.963 -8.101 4.296 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.238 -8.740 3.878 1.00 0.00 N ATOM 0 H LYS A 45 -9.814 -2.233 2.326 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.078 -4.036 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.247 -4.183 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.574 -4.247 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.383 -6.450 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.687 -6.460 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.087 -6.161 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.789 -6.244 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.160 -8.432 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.706 -8.432 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.201 -9.758 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.029 -8.309 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.377 -8.601 2.857 1.00 0.00 H new ATOM 774 N ILE A 46 -7.024 -5.097 3.585 1.00 0.00 N ATOM 775 CA ILE A 46 -5.854 -5.820 3.131 1.00 0.00 C ATOM 776 C ILE A 46 -6.268 -7.181 2.592 1.00 0.00 C ATOM 777 O ILE A 46 -6.649 -8.076 3.351 1.00 0.00 O ATOM 778 CB ILE A 46 -4.817 -6.021 4.254 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.492 -4.697 4.966 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.553 -6.638 3.682 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.597 -3.749 4.191 1.00 0.00 C ATOM 0 H ILE A 46 -7.097 -5.002 4.598 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.390 -5.221 2.348 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.245 -6.696 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.428 -4.185 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.015 -4.923 5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.823 -6.778 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.790 -7.603 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.137 -5.977 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.428 -2.846 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.642 -4.234 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.077 -3.484 3.249 1.00 0.00 H new ATOM 793 N LEU A 47 -6.210 -7.319 1.283 1.00 0.00 N ATOM 794 CA LEU A 47 -6.585 -8.554 0.618 1.00 0.00 C ATOM 795 C LEU A 47 -5.456 -9.555 0.742 1.00 0.00 C ATOM 796 O LEU A 47 -5.618 -10.650 1.283 1.00 0.00 O ATOM 797 CB LEU A 47 -6.841 -8.296 -0.865 1.00 0.00 C ATOM 798 CG LEU A 47 -7.621 -7.026 -1.194 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.725 -6.856 -2.699 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.003 -7.055 -0.562 1.00 0.00 C ATOM 0 H LEU A 47 -5.902 -6.581 0.650 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.490 -8.942 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.880 -8.253 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.383 -9.149 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.083 -6.174 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.283 -5.947 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.725 -6.784 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.242 -7.715 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.537 -6.138 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.558 -7.913 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.906 -7.134 0.521 1.00 0.00 H new ATOM 812 N LYS A 48 -4.304 -9.144 0.248 1.00 0.00 N ATOM 813 CA LYS A 48 -3.135 -9.979 0.199 1.00 0.00 C ATOM 814 C LYS A 48 -1.902 -9.118 0.356 1.00 0.00 C ATOM 815 O LYS A 48 -1.580 -8.320 -0.528 1.00 0.00 O ATOM 816 CB LYS A 48 -3.044 -10.711 -1.140 1.00 0.00 C ATOM 817 CG LYS A 48 -1.970 -11.784 -1.148 1.00 0.00 C ATOM 818 CD LYS A 48 -1.468 -12.094 -2.546 1.00 0.00 C ATOM 819 CE LYS A 48 -2.541 -12.725 -3.418 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.050 -12.973 -4.799 1.00 0.00 N ATOM 0 H LYS A 48 -4.159 -8.209 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.202 -10.711 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.008 -11.166 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.837 -9.990 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.133 -11.461 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.367 -12.694 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.116 -11.175 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.613 -12.767 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.866 -13.665 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.413 -12.071 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.809 -13.404 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.764 -12.072 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.234 -13.617 -4.767 1.00 0.00 H new ATOM 834 N THR A 49 -1.229 -9.244 1.474 1.00 0.00 N ATOM 835 CA THR A 49 0.051 -8.605 1.622 1.00 0.00 C ATOM 836 C THR A 49 1.090 -9.493 0.961 1.00 0.00 C ATOM 837 O THR A 49 1.017 -10.711 1.061 1.00 0.00 O ATOM 838 CB THR A 49 0.422 -8.375 3.099 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.702 -7.860 3.818 1.00 0.00 O ATOM 840 CG2 THR A 49 1.584 -7.399 3.217 1.00 0.00 C ATOM 0 H THR A 49 -1.543 -9.777 2.285 1.00 0.00 H new ATOM 0 HA THR A 49 0.012 -7.622 1.152 1.00 0.00 H new ATOM 0 HB THR A 49 0.718 -9.334 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.490 -7.824 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.829 -7.251 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.452 -7.802 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.304 -6.444 2.772 1.00 0.00 H new ATOM 848 N SER A 50 2.011 -8.902 0.244 1.00 0.00 N ATOM 849 CA SER A 50 3.074 -9.660 -0.377 1.00 0.00 C ATOM 850 C SER A 50 4.216 -8.737 -0.716 1.00 0.00 C ATOM 851 O SER A 50 4.169 -7.549 -0.392 1.00 0.00 O ATOM 852 CB SER A 50 2.566 -10.377 -1.632 1.00 0.00 C ATOM 853 OG SER A 50 1.753 -9.521 -2.424 1.00 0.00 O ATOM 0 H SER A 50 2.049 -7.897 0.074 1.00 0.00 H new ATOM 0 HA SER A 50 3.425 -10.420 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.414 -10.725 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.995 -11.259 -1.343 1.00 0.00 H new ATOM 0 HG SER A 50 1.806 -8.606 -2.076 1.00 0.00 H new ATOM 859 N GLU A 51 5.229 -9.269 -1.364 1.00 0.00 N ATOM 860 CA GLU A 51 6.369 -8.466 -1.732 1.00 0.00 C ATOM 861 C GLU A 51 7.227 -9.168 -2.764 1.00 0.00 C ATOM 862 O GLU A 51 7.062 -10.358 -3.039 1.00 0.00 O ATOM 863 CB GLU A 51 7.210 -8.131 -0.498 1.00 0.00 C ATOM 864 CG GLU A 51 7.857 -9.333 0.168 1.00 0.00 C ATOM 865 CD GLU A 51 8.696 -8.929 1.361 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.755 -8.294 1.152 1.00 0.00 O ATOM 867 OE2 GLU A 51 8.295 -9.232 2.502 1.00 0.00 O ATOM 0 H GLU A 51 5.285 -10.248 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 51 5.993 -7.541 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.991 -7.427 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.577 -7.624 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.084 -10.032 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.482 -9.857 -0.555 1.00 0.00 H new ATOM 874 N ASP A 52 8.123 -8.401 -3.340 1.00 0.00 N ATOM 875 CA ASP A 52 9.146 -8.913 -4.223 1.00 0.00 C ATOM 876 C ASP A 52 10.471 -8.660 -3.526 1.00 0.00 C ATOM 877 O ASP A 52 10.495 -8.483 -2.310 1.00 0.00 O ATOM 878 CB ASP A 52 9.089 -8.194 -5.577 1.00 0.00 C ATOM 879 CG ASP A 52 9.784 -8.955 -6.690 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.103 -9.728 -7.399 1.00 0.00 O ATOM 881 OD2 ASP A 52 11.007 -8.770 -6.873 1.00 0.00 O ATOM 0 H ASP A 52 8.163 -7.390 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 52 9.009 -9.975 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.046 -8.034 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.547 -7.210 -5.478 1.00 0.00 H new ATOM 886 N LYS A 53 11.559 -8.617 -4.261 1.00 0.00 N ATOM 887 CA LYS A 53 12.834 -8.296 -3.658 1.00 0.00 C ATOM 888 C LYS A 53 12.844 -6.840 -3.206 1.00 0.00 C ATOM 889 O LYS A 53 12.725 -6.542 -2.021 1.00 0.00 O ATOM 890 CB LYS A 53 13.976 -8.572 -4.627 1.00 0.00 C ATOM 891 CG LYS A 53 14.076 -10.033 -5.014 1.00 0.00 C ATOM 892 CD LYS A 53 15.424 -10.348 -5.621 1.00 0.00 C ATOM 893 CE LYS A 53 15.547 -11.819 -5.969 1.00 0.00 C ATOM 894 NZ LYS A 53 16.871 -12.141 -6.566 1.00 0.00 N ATOM 0 H LYS A 53 11.589 -8.798 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 53 12.978 -8.933 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.837 -7.971 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.916 -8.256 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.916 -10.656 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.288 -10.278 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.569 -9.747 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.213 -10.071 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.399 -12.418 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.757 -12.093 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.914 -13.156 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.002 -11.589 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.624 -11.903 -5.889 1.00 0.00 H new ATOM 908 N ARG A 54 12.901 -5.934 -4.159 1.00 0.00 N ATOM 909 CA ARG A 54 13.048 -4.518 -3.858 1.00 0.00 C ATOM 910 C ARG A 54 11.690 -3.836 -3.713 1.00 0.00 C ATOM 911 O ARG A 54 11.599 -2.611 -3.761 1.00 0.00 O ATOM 912 CB ARG A 54 13.836 -3.851 -4.983 1.00 0.00 C ATOM 913 CG ARG A 54 15.196 -4.483 -5.227 1.00 0.00 C ATOM 914 CD ARG A 54 15.781 -4.029 -6.551 1.00 0.00 C ATOM 915 NE ARG A 54 14.927 -4.398 -7.680 1.00 0.00 N ATOM 916 CZ ARG A 54 14.742 -3.628 -8.751 1.00 0.00 C ATOM 917 NH1 ARG A 54 15.371 -2.465 -8.851 1.00 0.00 N ATOM 918 NH2 ARG A 54 13.932 -4.022 -9.722 1.00 0.00 N ATOM 0 H ARG A 54 12.848 -6.150 -5.154 1.00 0.00 H new ATOM 0 HA ARG A 54 13.578 -4.418 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.252 -3.898 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.972 -2.796 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.874 -4.217 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.102 -5.569 -5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.916 -2.948 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.768 -4.472 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 54 14.446 -5.297 -7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.998 -2.159 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.228 -1.877 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.448 -4.917 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.792 -3.430 -10.541 1.00 0.00 H new ATOM 932 N PHE A 55 10.636 -4.622 -3.517 1.00 0.00 N ATOM 933 CA PHE A 55 9.278 -4.081 -3.576 1.00 0.00 C ATOM 934 C PHE A 55 8.331 -4.777 -2.601 1.00 0.00 C ATOM 935 O PHE A 55 8.488 -5.955 -2.308 1.00 0.00 O ATOM 936 CB PHE A 55 8.713 -4.229 -4.996 1.00 0.00 C ATOM 937 CG PHE A 55 9.472 -3.475 -6.055 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.141 -2.166 -6.363 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.512 -4.078 -6.746 1.00 0.00 C ATOM 940 CE1 PHE A 55 9.834 -1.474 -7.338 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.209 -3.389 -7.719 1.00 0.00 C ATOM 942 CZ PHE A 55 10.869 -2.085 -8.015 1.00 0.00 C ATOM 0 H PHE A 55 10.691 -5.621 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 55 9.346 -3.030 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.701 -5.287 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.678 -3.889 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.333 -1.681 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.780 -5.100 -6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.565 -0.454 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.019 -3.870 -8.247 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.412 -1.544 -8.775 1.00 0.00 H new ATOM 952 N TYR A 56 7.360 -4.022 -2.102 1.00 0.00 N ATOM 953 CA TYR A 56 6.235 -4.565 -1.346 1.00 0.00 C ATOM 954 C TYR A 56 4.969 -4.456 -2.178 1.00 0.00 C ATOM 955 O TYR A 56 4.784 -3.479 -2.906 1.00 0.00 O ATOM 956 CB TYR A 56 6.021 -3.816 -0.025 1.00 0.00 C ATOM 957 CG TYR A 56 6.863 -4.321 1.119 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.872 -3.543 1.662 1.00 0.00 C ATOM 959 CD2 TYR A 56 6.648 -5.584 1.653 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.648 -4.008 2.704 1.00 0.00 C ATOM 961 CE2 TYR A 56 7.417 -6.056 2.696 1.00 0.00 C ATOM 962 CZ TYR A 56 8.417 -5.267 3.217 1.00 0.00 C ATOM 963 OH TYR A 56 9.192 -5.739 4.250 1.00 0.00 O ATOM 0 H TYR A 56 7.330 -3.008 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 56 6.461 -5.607 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.238 -2.759 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.970 -3.888 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.054 -2.556 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.866 -6.207 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.432 -3.389 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.235 -7.040 3.102 1.00 0.00 H new ATOM 0 HH TYR A 56 8.614 -6.090 4.959 1.00 0.00 H new ATOM 973 N TYR A 57 4.104 -5.447 -2.063 1.00 0.00 N ATOM 974 CA TYR A 57 2.857 -5.466 -2.809 1.00 0.00 C ATOM 975 C TYR A 57 1.683 -5.723 -1.876 1.00 0.00 C ATOM 976 O TYR A 57 1.337 -6.871 -1.593 1.00 0.00 O ATOM 977 CB TYR A 57 2.901 -6.537 -3.902 1.00 0.00 C ATOM 978 CG TYR A 57 3.952 -6.282 -4.956 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.811 -5.241 -5.861 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.081 -7.083 -5.048 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.764 -5.004 -6.828 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.041 -6.850 -6.013 1.00 0.00 C ATOM 983 CZ TYR A 57 5.876 -5.809 -6.901 1.00 0.00 C ATOM 984 OH TYR A 57 6.830 -5.568 -7.866 1.00 0.00 O ATOM 0 H TYR A 57 4.243 -6.255 -1.456 1.00 0.00 H new ATOM 0 HA TYR A 57 2.726 -4.491 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.088 -7.507 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.924 -6.595 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.940 -4.605 -5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.211 -7.901 -4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.638 -4.189 -7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.916 -7.480 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 57 7.553 -6.224 -7.783 1.00 0.00 H new ATOM 994 N VAL A 58 1.087 -4.653 -1.381 1.00 0.00 N ATOM 995 CA VAL A 58 -0.046 -4.769 -0.478 1.00 0.00 C ATOM 996 C VAL A 58 -1.349 -4.610 -1.246 1.00 0.00 C ATOM 997 O VAL A 58 -1.767 -3.493 -1.550 1.00 0.00 O ATOM 998 CB VAL A 58 0.007 -3.715 0.647 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.044 -4.005 1.708 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.396 -3.653 1.260 1.00 0.00 C ATOM 0 H VAL A 58 1.368 -3.695 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 58 0.003 -5.759 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.214 -2.740 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.988 -3.249 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.035 -3.985 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.863 -4.989 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.411 -2.903 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.653 -4.627 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.121 -3.384 0.492 1.00 0.00 H new ATOM 1010 N SER A 59 -1.976 -5.723 -1.581 1.00 0.00 N ATOM 1011 CA SER A 59 -3.228 -5.683 -2.313 1.00 0.00 C ATOM 1012 C SER A 59 -4.367 -5.325 -1.371 1.00 0.00 C ATOM 1013 O SER A 59 -4.564 -5.978 -0.347 1.00 0.00 O ATOM 1014 CB SER A 59 -3.496 -7.027 -2.984 1.00 0.00 C ATOM 1015 OG SER A 59 -2.382 -7.434 -3.762 1.00 0.00 O ATOM 0 H SER A 59 -1.641 -6.661 -1.359 1.00 0.00 H new ATOM 0 HA SER A 59 -3.158 -4.920 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.710 -7.780 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.380 -6.952 -3.618 1.00 0.00 H new ATOM 0 HG SER A 59 -2.574 -8.298 -4.182 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.096 -4.277 -1.714 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.190 -3.788 -0.890 1.00 0.00 C ATOM 1023 C VAL A 60 -7.377 -3.401 -1.754 1.00 0.00 C ATOM 1024 O VAL A 60 -7.208 -2.896 -2.863 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.772 -2.555 -0.060 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.753 -2.934 0.999 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.222 -1.458 -0.963 1.00 0.00 C ATOM 0 H VAL A 60 -4.947 -3.742 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.463 -4.599 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.660 -2.172 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.475 -2.048 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.184 -3.677 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.867 -3.349 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.934 -0.599 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.351 -1.832 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.988 -1.157 -1.678 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.577 -3.642 -1.263 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.759 -3.167 -1.957 1.00 0.00 C ATOM 1039 C ASP A 61 -9.944 -1.701 -1.616 1.00 0.00 C ATOM 1040 O ASP A 61 -10.463 -1.359 -0.555 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.004 -3.968 -1.577 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.126 -3.780 -2.582 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.325 -4.677 -3.427 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.808 -2.734 -2.540 1.00 0.00 O ATOM 0 H ASP A 61 -8.759 -4.155 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.622 -3.297 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.749 -5.026 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.346 -3.660 -0.589 1.00 0.00 H new ATOM 1049 N ALA A 62 -9.469 -0.838 -2.500 1.00 0.00 N ATOM 1050 CA ALA A 62 -9.409 0.589 -2.224 1.00 0.00 C ATOM 1051 C ALA A 62 -10.800 1.210 -2.154 1.00 0.00 C ATOM 1052 O ALA A 62 -10.980 2.280 -1.570 1.00 0.00 O ATOM 1053 CB ALA A 62 -8.553 1.284 -3.274 1.00 0.00 C ATOM 0 H ALA A 62 -9.117 -1.103 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.950 0.727 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.512 2.352 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.544 0.871 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.989 1.127 -4.261 1.00 0.00 H new ATOM 1059 N GLY A 63 -11.777 0.541 -2.753 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.142 1.036 -2.728 1.00 0.00 C ATOM 1061 C GLY A 63 -13.391 2.071 -3.802 1.00 0.00 C ATOM 1062 O GLY A 63 -14.532 2.445 -4.068 1.00 0.00 O ATOM 0 H GLY A 63 -11.649 -0.337 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.832 0.203 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.352 1.471 -1.751 1.00 0.00 H new ATOM 1066 N ASP A 64 -12.314 2.527 -4.428 1.00 0.00 N ATOM 1067 CA ASP A 64 -12.409 3.508 -5.496 1.00 0.00 C ATOM 1068 C ASP A 64 -13.045 2.885 -6.727 1.00 0.00 C ATOM 1069 O ASP A 64 -13.777 3.541 -7.466 1.00 0.00 O ATOM 1070 CB ASP A 64 -11.025 4.063 -5.839 1.00 0.00 C ATOM 1071 CG ASP A 64 -11.084 5.157 -6.886 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -10.690 4.905 -8.041 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -11.536 6.274 -6.559 1.00 0.00 O ATOM 0 H ASP A 64 -11.362 2.231 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.037 4.331 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.559 4.454 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.391 3.253 -6.199 1.00 0.00 H new ATOM 1078 N GLY A 65 -12.788 1.599 -6.918 1.00 0.00 N ATOM 1079 CA GLY A 65 -13.348 0.891 -8.049 1.00 0.00 C ATOM 1080 C GLY A 65 -12.696 -0.454 -8.258 1.00 0.00 C ATOM 1081 O GLY A 65 -13.370 -1.443 -8.543 1.00 0.00 O ATOM 0 H GLY A 65 -12.200 1.032 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.419 0.754 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.229 1.495 -8.949 1.00 0.00 H new ATOM 1085 N GLU A 66 -11.383 -0.493 -8.102 1.00 0.00 N ATOM 1086 CA GLU A 66 -10.625 -1.714 -8.314 1.00 0.00 C ATOM 1087 C GLU A 66 -9.978 -2.196 -7.029 1.00 0.00 C ATOM 1088 O GLU A 66 -9.893 -1.461 -6.039 1.00 0.00 O ATOM 1089 CB GLU A 66 -9.520 -1.487 -9.343 1.00 0.00 C ATOM 1090 CG GLU A 66 -10.005 -1.337 -10.767 1.00 0.00 C ATOM 1091 CD GLU A 66 -8.884 -0.940 -11.707 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -8.708 0.273 -11.943 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -8.167 -1.833 -12.200 1.00 0.00 O ATOM 0 H GLU A 66 -10.818 0.311 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.329 -2.466 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.963 -0.592 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.822 -2.323 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.444 -2.277 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.794 -0.586 -10.805 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.522 -3.434 -7.062 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.654 -3.950 -6.033 1.00 0.00 C ATOM 1102 C LYS A 67 -7.231 -3.518 -6.335 1.00 0.00 C ATOM 1103 O LYS A 67 -6.649 -3.889 -7.359 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.774 -5.468 -5.921 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.036 -5.899 -5.193 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.237 -7.400 -5.229 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.366 -7.826 -4.303 1.00 0.00 C ATOM 1108 NZ LYS A 67 -12.615 -7.058 -4.543 1.00 0.00 N ATOM 0 H LYS A 67 -9.744 -4.103 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.950 -3.545 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.767 -5.905 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.903 -5.860 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.986 -5.566 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.898 -5.408 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.460 -7.715 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.314 -7.900 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.564 -8.889 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.053 -7.692 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.401 -7.503 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.491 -6.081 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.829 -7.052 -5.561 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.696 -2.714 -5.446 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.446 -2.027 -5.669 1.00 0.00 C ATOM 1124 C CYS A 68 -4.305 -2.803 -5.052 1.00 0.00 C ATOM 1125 O CYS A 68 -4.519 -3.711 -4.257 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.538 -0.627 -5.059 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.980 0.703 -6.164 1.00 0.00 S ATOM 0 H CYS A 68 -7.120 -2.517 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.256 -1.944 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.572 -0.435 -4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.942 -0.600 -4.147 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.099 -2.459 -5.441 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.918 -3.082 -4.893 1.00 0.00 C ATOM 1134 C LYS A 69 -0.901 -2.004 -4.563 1.00 0.00 C ATOM 1135 O LYS A 69 -0.262 -1.446 -5.459 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.338 -4.083 -5.892 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.039 -4.711 -5.437 1.00 0.00 C ATOM 1138 CD LYS A 69 0.567 -5.595 -6.515 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.292 -6.813 -6.807 1.00 0.00 C ATOM 1140 NZ LYS A 69 0.306 -7.661 -7.873 1.00 0.00 N ATOM 0 H LYS A 69 -2.910 -1.743 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.176 -3.625 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.070 -4.871 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.174 -3.579 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.669 -3.927 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.216 -5.302 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.695 -5.015 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.559 -5.919 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.412 -7.401 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.288 -6.492 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.306 -8.483 -8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.397 -7.106 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.246 -7.987 -7.571 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.786 -1.679 -3.286 1.00 0.00 N ATOM 1155 CA PHE A 70 0.170 -0.681 -2.853 1.00 0.00 C ATOM 1156 C PHE A 70 1.574 -1.200 -3.019 1.00 0.00 C ATOM 1157 O PHE A 70 2.034 -2.071 -2.276 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.083 -0.245 -1.416 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.049 0.894 -1.330 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.411 0.666 -1.323 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.589 2.200 -1.267 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.300 1.718 -1.256 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -1.473 3.256 -1.195 1.00 0.00 C ATOM 1164 CZ PHE A 70 -2.832 3.015 -1.191 1.00 0.00 C ATOM 0 H PHE A 70 -1.341 -2.091 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 70 0.045 0.200 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.469 -1.090 -0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.861 0.047 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.784 -0.347 -1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.474 2.393 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.363 1.527 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.103 4.269 -1.142 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.528 3.839 -1.137 1.00 0.00 H new ATOM 1174 N LYS A 71 2.235 -0.668 -4.019 1.00 0.00 N ATOM 1175 CA LYS A 71 3.550 -1.115 -4.387 1.00 0.00 C ATOM 1176 C LYS A 71 4.595 -0.232 -3.734 1.00 0.00 C ATOM 1177 O LYS A 71 5.100 0.724 -4.324 1.00 0.00 O ATOM 1178 CB LYS A 71 3.677 -1.111 -5.906 1.00 0.00 C ATOM 1179 CG LYS A 71 5.036 -1.519 -6.421 1.00 0.00 C ATOM 1180 CD LYS A 71 5.007 -1.657 -7.929 1.00 0.00 C ATOM 1181 CE LYS A 71 6.391 -1.964 -8.480 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.419 -3.234 -9.253 1.00 0.00 N ATOM 0 H LYS A 71 1.872 0.088 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 71 3.712 -2.134 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.927 -1.784 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.448 -0.111 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.780 -0.777 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.335 -2.464 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.316 -2.452 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.632 -0.735 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.715 -1.144 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.102 -2.026 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.348 -3.343 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.251 -4.035 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.677 -3.213 -9.982 1.00 0.00 H new ATOM 1196 N ILE A 72 4.884 -0.536 -2.492 1.00 0.00 N ATOM 1197 CA ILE A 72 5.867 0.212 -1.748 1.00 0.00 C ATOM 1198 C ILE A 72 7.244 -0.251 -2.174 1.00 0.00 C ATOM 1199 O ILE A 72 7.572 -1.419 -2.036 1.00 0.00 O ATOM 1200 CB ILE A 72 5.683 0.016 -0.228 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.240 0.339 0.168 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.657 0.899 0.544 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.870 -0.114 1.565 1.00 0.00 C ATOM 0 H ILE A 72 4.450 -1.300 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 72 5.746 1.275 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 72 5.892 -1.024 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.085 1.415 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.564 -0.131 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.514 0.749 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.680 0.636 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.474 1.945 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.833 0.151 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.990 -1.195 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.520 0.375 2.290 1.00 0.00 H new ATOM 1215 N ARG A 73 8.055 0.655 -2.691 1.00 0.00 N ATOM 1216 CA ARG A 73 9.363 0.287 -3.221 1.00 0.00 C ATOM 1217 C ARG A 73 10.351 0.124 -2.071 1.00 0.00 C ATOM 1218 O ARG A 73 11.564 0.235 -2.247 1.00 0.00 O ATOM 1219 CB ARG A 73 9.838 1.356 -4.214 1.00 0.00 C ATOM 1220 CG ARG A 73 10.983 0.909 -5.112 1.00 0.00 C ATOM 1221 CD ARG A 73 11.135 1.814 -6.324 1.00 0.00 C ATOM 1222 NE ARG A 73 12.294 1.451 -7.135 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.592 2.008 -8.308 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.829 2.974 -8.807 1.00 0.00 N ATOM 1225 NH2 ARG A 73 13.663 1.601 -8.976 1.00 0.00 N ATOM 0 H ARG A 73 7.835 1.649 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 73 9.295 -0.663 -3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.996 1.655 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.151 2.239 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.912 0.905 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.808 -0.115 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.233 1.758 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.233 2.848 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 73 12.915 0.724 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.009 3.294 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.063 3.396 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.255 0.864 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.895 2.024 -9.874 1.00 0.00 H new ATOM 1239 N LYS A 74 9.801 -0.179 -0.894 1.00 0.00 N ATOM 1240 CA LYS A 74 10.563 -0.226 0.344 1.00 0.00 C ATOM 1241 C LYS A 74 11.358 1.071 0.497 1.00 0.00 C ATOM 1242 O LYS A 74 11.062 2.066 -0.161 1.00 0.00 O ATOM 1243 CB LYS A 74 11.475 -1.469 0.357 1.00 0.00 C ATOM 1244 CG LYS A 74 10.701 -2.774 0.190 1.00 0.00 C ATOM 1245 CD LYS A 74 11.586 -4.015 0.276 1.00 0.00 C ATOM 1246 CE LYS A 74 10.736 -5.287 0.273 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.538 -6.530 0.452 1.00 0.00 N ATOM 0 H LYS A 74 8.812 -0.398 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 74 9.889 -0.311 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.210 -1.383 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.028 -1.498 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.930 -2.832 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.191 -2.766 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.279 -4.033 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.188 -3.976 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.995 -5.223 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.188 -5.348 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.901 -7.351 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.193 -6.639 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.080 -6.469 1.337 1.00 0.00 H new ATOM 1261 N ASP A 75 12.321 1.094 1.393 1.00 0.00 N ATOM 1262 CA ASP A 75 13.277 2.191 1.405 1.00 0.00 C ATOM 1263 C ASP A 75 14.566 1.671 0.783 1.00 0.00 C ATOM 1264 O ASP A 75 15.658 1.830 1.314 1.00 0.00 O ATOM 1265 CB ASP A 75 13.511 2.733 2.819 1.00 0.00 C ATOM 1266 CG ASP A 75 14.214 4.084 2.819 1.00 0.00 C ATOM 1267 OD1 ASP A 75 15.460 4.123 2.760 1.00 0.00 O ATOM 1268 OD2 ASP A 75 13.521 5.117 2.877 1.00 0.00 O ATOM 0 H ASP A 75 12.466 0.384 2.111 1.00 0.00 H new ATOM 0 HA ASP A 75 12.889 3.032 0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.554 2.826 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.107 2.017 3.385 1.00 0.00 H new ATOM 1273 N VAL A 76 14.407 1.007 -0.358 1.00 0.00 N ATOM 1274 CA VAL A 76 15.512 0.340 -1.041 1.00 0.00 C ATOM 1275 C VAL A 76 16.364 1.363 -1.784 1.00 0.00 C ATOM 1276 O VAL A 76 17.409 1.045 -2.358 1.00 0.00 O ATOM 1277 CB VAL A 76 14.967 -0.712 -2.042 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.417 -0.047 -3.297 1.00 0.00 C ATOM 1279 CG2 VAL A 76 16.019 -1.746 -2.395 1.00 0.00 C ATOM 0 H VAL A 76 13.510 0.916 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 76 16.128 -0.164 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 76 14.146 -1.232 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.043 -0.810 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.605 0.627 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.210 0.519 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.600 -2.466 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.877 -1.251 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.337 -2.265 -1.491 1.00 0.00 H new ATOM 1289 N ASP A 77 15.914 2.601 -1.701 1.00 0.00 N ATOM 1290 CA ASP A 77 16.419 3.697 -2.525 1.00 0.00 C ATOM 1291 C ASP A 77 15.562 4.929 -2.288 1.00 0.00 C ATOM 1292 O ASP A 77 16.062 5.997 -1.943 1.00 0.00 O ATOM 1293 CB ASP A 77 16.371 3.330 -4.012 1.00 0.00 C ATOM 1294 CG ASP A 77 17.002 4.391 -4.896 1.00 0.00 C ATOM 1295 OD1 ASP A 77 18.250 4.456 -4.953 1.00 0.00 O ATOM 1296 OD2 ASP A 77 16.257 5.150 -5.549 1.00 0.00 O ATOM 0 H ASP A 77 15.178 2.883 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 77 17.455 3.894 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.886 2.382 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.334 3.182 -4.313 1.00 0.00 H new ATOM 1301 N VAL A 78 14.259 4.757 -2.473 1.00 0.00 N ATOM 1302 CA VAL A 78 13.295 5.812 -2.197 1.00 0.00 C ATOM 1303 C VAL A 78 12.779 5.693 -0.774 1.00 0.00 C ATOM 1304 O VAL A 78 12.736 4.607 -0.206 1.00 0.00 O ATOM 1305 CB VAL A 78 12.077 5.771 -3.147 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.483 6.001 -4.588 1.00 0.00 C ATOM 1307 CG2 VAL A 78 11.334 4.458 -2.999 1.00 0.00 C ATOM 0 H VAL A 78 13.845 3.890 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 78 13.823 6.753 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 78 11.408 6.584 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.599 5.965 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.958 6.978 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.185 5.226 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.479 4.446 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.002 3.632 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.986 4.351 -1.972 1.00 0.00 H new ATOM 1317 N PRO A 79 12.392 6.820 -0.191 1.00 0.00 N ATOM 1318 CA PRO A 79 11.773 6.874 1.122 1.00 0.00 C ATOM 1319 C PRO A 79 10.251 6.833 1.053 1.00 0.00 C ATOM 1320 O PRO A 79 9.569 7.424 1.890 1.00 0.00 O ATOM 1321 CB PRO A 79 12.221 8.237 1.612 1.00 0.00 C ATOM 1322 CG PRO A 79 12.255 9.079 0.384 1.00 0.00 C ATOM 1323 CD PRO A 79 12.563 8.159 -0.761 1.00 0.00 C ATOM 0 HA PRO A 79 12.053 6.031 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.529 8.641 2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.201 8.186 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.299 9.580 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.013 9.858 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.888 8.325 -1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.577 8.309 -1.133 1.00 0.00 H new ATOM 1331 N LYS A 80 9.712 6.137 0.062 1.00 0.00 N ATOM 1332 CA LYS A 80 8.272 6.123 -0.142 1.00 0.00 C ATOM 1333 C LYS A 80 7.846 4.905 -0.964 1.00 0.00 C ATOM 1334 O LYS A 80 8.553 3.903 -1.029 1.00 0.00 O ATOM 1335 CB LYS A 80 7.826 7.419 -0.837 1.00 0.00 C ATOM 1336 CG LYS A 80 8.220 7.492 -2.301 1.00 0.00 C ATOM 1337 CD LYS A 80 7.654 8.725 -2.975 1.00 0.00 C ATOM 1338 CE LYS A 80 8.031 8.766 -4.448 1.00 0.00 C ATOM 1339 NZ LYS A 80 7.546 10.000 -5.118 1.00 0.00 N ATOM 0 H LYS A 80 10.244 5.580 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 80 7.788 6.058 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.743 7.510 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.258 8.270 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.307 7.498 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.865 6.600 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.569 8.733 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.027 9.619 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.115 8.704 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.615 7.894 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.826 9.984 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.509 10.048 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.963 10.833 -4.655 1.00 0.00 H new ATOM 1353 N MET A 81 6.689 5.013 -1.594 1.00 0.00 N ATOM 1354 CA MET A 81 6.122 3.928 -2.370 1.00 0.00 C ATOM 1355 C MET A 81 6.239 4.270 -3.841 1.00 0.00 C ATOM 1356 O MET A 81 5.909 5.385 -4.246 1.00 0.00 O ATOM 1357 CB MET A 81 4.651 3.747 -2.008 1.00 0.00 C ATOM 1358 CG MET A 81 4.388 3.816 -0.517 1.00 0.00 C ATOM 1359 SD MET A 81 2.722 4.380 -0.149 1.00 0.00 S ATOM 1360 CE MET A 81 2.751 5.960 -0.994 1.00 0.00 C ATOM 0 H MET A 81 6.117 5.857 -1.581 1.00 0.00 H new ATOM 0 HA MET A 81 6.658 3.003 -2.156 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.063 4.516 -2.510 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.306 2.785 -2.387 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.542 2.831 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.109 4.489 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.204 6.697 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.783 6.288 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.283 5.858 -1.973 1.00 0.00 H new ATOM 1370 N VAL A 82 6.719 3.333 -4.633 1.00 0.00 N ATOM 1371 CA VAL A 82 6.859 3.568 -6.060 1.00 0.00 C ATOM 1372 C VAL A 82 5.504 3.444 -6.749 1.00 0.00 C ATOM 1373 O VAL A 82 5.175 4.213 -7.653 1.00 0.00 O ATOM 1374 CB VAL A 82 7.874 2.594 -6.709 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.365 1.158 -6.699 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.214 3.033 -8.122 1.00 0.00 C ATOM 0 H VAL A 82 7.017 2.409 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 82 7.242 4.580 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 82 8.783 2.623 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.105 0.506 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.195 0.839 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.430 1.099 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.928 2.335 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.307 3.049 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.651 4.031 -8.098 1.00 0.00 H new ATOM 1386 N GLY A 83 4.704 2.501 -6.278 1.00 0.00 N ATOM 1387 CA GLY A 83 3.455 2.202 -6.921 1.00 0.00 C ATOM 1388 C GLY A 83 2.289 2.246 -5.967 1.00 0.00 C ATOM 1389 O GLY A 83 2.456 2.223 -4.749 1.00 0.00 O ATOM 0 H GLY A 83 4.905 1.936 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.286 2.914 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.512 1.213 -7.375 1.00 0.00 H new ATOM 1393 N ARG A 84 1.108 2.295 -6.543 1.00 0.00 N ATOM 1394 CA ARG A 84 -0.137 2.428 -5.799 1.00 0.00 C ATOM 1395 C ARG A 84 -1.276 2.078 -6.732 1.00 0.00 C ATOM 1396 O ARG A 84 -2.417 2.503 -6.557 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.312 3.860 -5.280 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.300 4.925 -6.374 1.00 0.00 C ATOM 1399 CD ARG A 84 1.115 5.279 -6.810 1.00 0.00 C ATOM 1400 NE ARG A 84 1.166 6.466 -7.661 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.274 7.187 -7.851 1.00 0.00 C ATOM 1402 NH1 ARG A 84 3.419 6.797 -7.301 1.00 0.00 N ATOM 1403 NH2 ARG A 84 2.246 8.281 -8.601 1.00 0.00 N ATOM 0 H ARG A 84 0.978 2.243 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.124 1.760 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.254 3.925 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.484 4.077 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.866 4.567 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.803 5.822 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.732 5.444 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.547 4.434 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 84 0.311 6.759 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.450 5.949 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.267 7.346 -7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.373 8.578 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.097 8.826 -8.741 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.934 1.271 -7.711 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.791 1.018 -8.850 1.00 0.00 C ATOM 1419 C LYS A 85 -2.747 -0.135 -8.606 1.00 0.00 C ATOM 1420 O LYS A 85 -2.353 -1.203 -8.126 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.922 0.746 -10.078 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.371 2.007 -10.708 1.00 0.00 C ATOM 1423 CD LYS A 85 -1.486 2.898 -11.211 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.939 4.173 -11.814 1.00 0.00 C ATOM 1425 NZ LYS A 85 -1.988 4.945 -12.529 1.00 0.00 N ATOM 0 H LYS A 85 -0.047 0.768 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.406 1.902 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.093 0.098 -9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.510 0.204 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.230 2.549 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.290 1.745 -11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.074 2.363 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.159 3.141 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.508 4.791 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.133 3.930 -12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.571 5.811 -12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.382 4.366 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.746 5.200 -11.864 1.00 0.00 H new ATOM 1439 N CYS A 86 -4.013 0.099 -8.917 1.00 0.00 N ATOM 1440 CA CYS A 86 -5.011 -0.949 -8.864 1.00 0.00 C ATOM 1441 C CYS A 86 -4.948 -1.720 -10.164 1.00 0.00 C ATOM 1442 O CYS A 86 -4.835 -1.127 -11.233 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.416 -0.373 -8.671 1.00 0.00 C ATOM 1444 SG CYS A 86 -6.542 0.977 -7.439 1.00 0.00 S ATOM 0 H CYS A 86 -4.370 1.009 -9.209 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.805 -1.600 -8.015 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.774 -0.002 -9.631 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -7.084 -1.180 -8.372 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.014 -3.029 -10.089 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.796 -3.835 -11.264 1.00 0.00 C ATOM 1451 C ARG A 87 -5.922 -4.834 -11.422 1.00 0.00 C ATOM 1452 O ARG A 87 -5.835 -5.977 -10.967 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.435 -4.510 -11.163 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.904 -5.013 -12.481 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.389 -4.984 -12.470 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.796 -5.455 -13.718 1.00 0.00 N ATOM 1457 CZ ARG A 87 0.121 -4.776 -14.407 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.415 -3.522 -14.079 1.00 0.00 N ATOM 1459 NH2 ARG A 87 0.711 -5.335 -15.457 1.00 0.00 N ATOM 0 H ARG A 87 -5.215 -3.552 -9.237 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.795 -3.210 -12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.720 -3.804 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.506 -5.347 -10.468 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.256 -6.029 -12.661 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.283 -4.395 -13.295 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.053 -3.965 -12.277 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.026 -5.600 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.101 -6.357 -14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.062 -3.074 -13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.118 -3.007 -14.610 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.462 -6.284 -15.736 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.413 -4.815 -15.984 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.005 -4.363 -12.016 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.209 -5.158 -12.177 1.00 0.00 C ATOM 1475 C LYS A 88 -8.846 -4.918 -13.537 1.00 0.00 C ATOM 1476 O LYS A 88 -9.369 -5.845 -14.159 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.185 -4.827 -11.050 1.00 0.00 C ATOM 1478 CG LYS A 88 -8.804 -5.481 -9.736 1.00 0.00 C ATOM 1479 CD LYS A 88 -8.920 -6.996 -9.823 1.00 0.00 C ATOM 1480 CE LYS A 88 -8.228 -7.677 -8.656 1.00 0.00 C ATOM 1481 NZ LYS A 88 -6.748 -7.547 -8.737 1.00 0.00 N ATOM 0 H LYS A 88 -7.074 -3.420 -12.399 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.947 -6.215 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.225 -3.746 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.186 -5.150 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.783 -5.206 -9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.450 -5.109 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.972 -7.281 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.482 -7.342 -10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.580 -7.242 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.499 -8.733 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.323 -8.489 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.496 -6.951 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.390 -7.110 -7.864 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.816 -3.676 -13.993 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.281 -3.353 -15.332 1.00 0.00 C ATOM 1497 C ASP A 89 -8.199 -2.603 -16.097 1.00 0.00 C ATOM 1498 O ASP A 89 -8.283 -1.388 -16.293 1.00 0.00 O ATOM 1499 CB ASP A 89 -10.575 -2.533 -15.292 1.00 0.00 C ATOM 1500 CG ASP A 89 -11.164 -2.312 -16.674 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -10.720 -2.978 -17.635 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -12.091 -1.481 -16.809 1.00 0.00 O ATOM 0 H ASP A 89 -8.476 -2.877 -13.457 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.497 -4.288 -15.848 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.306 -3.044 -14.666 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.376 -1.568 -14.826 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.169 -3.350 -16.490 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.047 -2.830 -17.275 1.00 0.00 C ATOM 1509 C ASP A 90 -5.207 -1.833 -16.481 1.00 0.00 C ATOM 1510 O ASP A 90 -5.681 -0.764 -16.094 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.538 -2.195 -18.577 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.399 -1.699 -19.438 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.342 -0.484 -19.713 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -4.555 -2.525 -19.842 1.00 0.00 O ATOM 0 H ASP A 90 -7.087 -4.343 -16.271 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.408 -3.679 -17.519 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.123 -2.925 -19.137 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.204 -1.364 -18.345 1.00 0.00 H new ATOM 1519 N ASP A 91 -3.952 -2.183 -16.257 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.050 -1.340 -15.487 1.00 0.00 C ATOM 1521 C ASP A 91 -1.651 -1.334 -16.090 1.00 0.00 C ATOM 1522 O ASP A 91 -1.163 -2.358 -16.569 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.985 -1.809 -14.033 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.955 -1.042 -13.233 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.030 -1.683 -12.690 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -2.052 0.203 -13.173 1.00 0.00 O ATOM 0 H ASP A 91 -3.532 -3.048 -16.598 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.443 -0.324 -15.517 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.965 -1.690 -13.570 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.746 -2.872 -14.006 1.00 0.00 H new ATOM 1531 N ASP A 92 -1.024 -0.168 -16.061 1.00 0.00 N ATOM 1532 CA ASP A 92 0.322 0.026 -16.585 1.00 0.00 C ATOM 1533 C ASP A 92 0.915 1.312 -16.024 1.00 0.00 C ATOM 1534 O ASP A 92 0.313 2.379 -16.137 1.00 0.00 O ATOM 1535 CB ASP A 92 0.299 0.085 -18.117 1.00 0.00 C ATOM 1536 CG ASP A 92 1.561 0.690 -18.701 1.00 0.00 C ATOM 1537 OD1 ASP A 92 1.462 1.740 -19.371 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.658 0.128 -18.491 1.00 0.00 O ATOM 0 H ASP A 92 -1.438 0.678 -15.670 1.00 0.00 H new ATOM 0 HA ASP A 92 0.940 -0.818 -16.280 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.168 -0.922 -18.513 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.562 0.670 -18.441 1.00 0.00 H new ATOM 1543 N ASP A 93 2.081 1.211 -15.405 1.00 0.00 N ATOM 1544 CA ASP A 93 2.730 2.381 -14.830 1.00 0.00 C ATOM 1545 C ASP A 93 4.243 2.255 -14.940 1.00 0.00 C ATOM 1546 O ASP A 93 4.761 1.169 -15.204 1.00 0.00 O ATOM 1547 CB ASP A 93 2.320 2.549 -13.365 1.00 0.00 C ATOM 1548 CG ASP A 93 2.654 3.924 -12.828 1.00 0.00 C ATOM 1549 OD1 ASP A 93 1.884 4.866 -13.095 1.00 0.00 O ATOM 1550 OD2 ASP A 93 3.679 4.072 -12.135 1.00 0.00 O ATOM 0 H ASP A 93 2.595 0.338 -15.288 1.00 0.00 H new ATOM 0 HA ASP A 93 2.412 3.263 -15.386 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.249 2.374 -13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.822 1.794 -12.761 1.00 0.00 H new ATOM 1555 N ASP A 94 4.945 3.366 -14.763 1.00 0.00 N ATOM 1556 CA ASP A 94 6.402 3.375 -14.831 1.00 0.00 C ATOM 1557 C ASP A 94 7.000 3.023 -13.474 1.00 0.00 C ATOM 1558 O ASP A 94 8.107 2.492 -13.382 1.00 0.00 O ATOM 1559 CB ASP A 94 6.909 4.743 -15.292 1.00 0.00 C ATOM 1560 CG ASP A 94 8.416 4.786 -15.422 1.00 0.00 C ATOM 1561 OD1 ASP A 94 9.085 5.288 -14.494 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.940 4.313 -16.450 1.00 0.00 O ATOM 0 H ASP A 94 4.528 4.277 -14.570 1.00 0.00 H new ATOM 0 HA ASP A 94 6.716 2.625 -15.557 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.457 4.990 -16.253 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.586 5.505 -14.582 1.00 0.00 H new ATOM 1567 N GLY A 95 6.250 3.313 -12.424 1.00 0.00 N ATOM 1568 CA GLY A 95 6.673 2.976 -11.085 1.00 0.00 C ATOM 1569 C GLY A 95 5.825 1.863 -10.520 1.00 0.00 C ATOM 1570 O GLY A 95 5.215 2.002 -9.463 1.00 0.00 O ATOM 0 H GLY A 95 5.346 3.781 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.720 2.673 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.602 3.855 -10.444 1.00 0.00 H new ATOM 1574 N TYR A 96 5.804 0.748 -11.230 1.00 0.00 N ATOM 1575 CA TYR A 96 4.910 -0.353 -10.930 1.00 0.00 C ATOM 1576 C TYR A 96 5.142 -1.480 -11.927 1.00 0.00 C ATOM 1577 O TYR A 96 5.218 -1.196 -13.136 1.00 0.00 O ATOM 1578 CB TYR A 96 3.452 0.115 -10.972 1.00 0.00 C ATOM 1579 CG TYR A 96 2.445 -0.916 -10.500 1.00 0.00 C ATOM 1580 CD1 TYR A 96 2.082 -1.979 -11.314 1.00 0.00 C ATOM 1581 CD2 TYR A 96 1.847 -0.817 -9.247 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.156 -2.914 -10.897 1.00 0.00 C ATOM 1583 CE2 TYR A 96 0.916 -1.752 -8.822 1.00 0.00 C ATOM 1584 CZ TYR A 96 0.577 -2.797 -9.653 1.00 0.00 C ATOM 1585 OH TYR A 96 -0.350 -3.726 -9.241 1.00 0.00 O ATOM 1586 OXT TYR A 96 5.261 -2.642 -11.494 1.00 0.00 O ATOM 0 H TYR A 96 6.410 0.582 -12.034 1.00 0.00 H new ATOM 0 HA TYR A 96 5.117 -0.720 -9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.353 1.009 -10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.206 0.403 -11.994 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.532 -2.077 -12.291 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.113 0.002 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.886 -3.735 -11.545 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.460 -1.662 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.154 -4.591 -9.658 1.00 0.00 H new TER 1596 TYR A 96