USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 0.712 K(o=2,f=-2.9) USER MOD Set 1.2: A 86 THR OG1 : rot -83:sc= 1.27 USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0229 USER MOD Set 2.2: A 78 TYR OH : rot 150:sc= 0.0807 USER MOD Set 3.1: A 57 SER OG : rot 141:sc= 0.469 USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0.399 USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -169:sc= 0 (180deg=-0.0912) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00879 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.00777 X(o=0.0078,f=0.39) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0414) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.227 K(o=-0.23,f=-4!) USER MOD Single : A 24 ASN : amide:sc= -0.757 K(o=-0.76,f=-1.5!) USER MOD Single : A 26 TYR OH : rot -41:sc= 0.0949 USER MOD Single : A 31 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.4!) USER MOD Single : A 33 SER OG : rot 180:sc=0.000647 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc=-0.00313 (180deg=-0.0608) USER MOD Single : A 42 ASN : amide:sc= 0.564 K(o=0.56,f=-0.034) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -0.0186 (180deg=-0.233) USER MOD Single : A 51 HIS : no HD1:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 52 SER OG : rot -55:sc= 0.192 USER MOD Single : A 55 SER OG : rot 111:sc= 0.0377 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 108:sc=0.000122 USER MOD Single : A 68 THR OG1 : rot 56:sc= 0.444 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.061 (180deg=-0.405) USER MOD Single : A 83 ASN : amide:sc= 0.0925 K(o=0.093,f=-0.96) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0268) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.538 -0.395 -0.189 1.00 71.23 N ATOM 2 CA MET A 0 1.531 -0.923 -1.140 1.00 11.04 C ATOM 3 C MET A 0 2.143 -2.221 -0.617 1.00 0.04 C ATOM 4 O MET A 0 2.817 -2.212 0.412 1.00 20.50 O ATOM 5 CB MET A 0 2.633 0.109 -1.430 1.00 41.04 C ATOM 6 CG MET A 0 2.116 1.318 -2.218 1.00 22.12 C ATOM 7 SD MET A 0 1.522 0.931 -3.889 1.00 3.14 S ATOM 8 CE MET A 0 0.875 2.550 -4.373 1.00 52.31 C ATOM 0 H1 MET A 0 0.003 0.375 -0.638 1.00 71.23 H new ATOM 0 H2 MET A 0 -0.116 -1.155 0.088 1.00 71.23 H new ATOM 0 H3 MET A 0 1.025 -0.032 0.655 1.00 71.23 H new ATOM 0 HA MET A 0 1.012 -1.134 -2.075 1.00 11.04 H new ATOM 0 HB2 MET A 0 3.063 0.451 -0.488 1.00 41.04 H new ATOM 0 HB3 MET A 0 3.435 -0.370 -1.991 1.00 41.04 H new ATOM 0 HG2 MET A 0 1.305 1.782 -1.656 1.00 22.12 H new ATOM 0 HG3 MET A 0 2.915 2.056 -2.292 1.00 22.12 H new ATOM 0 HE1 MET A 0 0.468 2.492 -5.382 1.00 52.31 H new ATOM 0 HE2 MET A 0 0.088 2.849 -3.681 1.00 52.31 H new ATOM 0 HE3 MET A 0 1.679 3.286 -4.348 1.00 52.31 H new ATOM 20 N ILE A 1 1.899 -3.332 -1.324 1.00 34.41 N ATOM 21 CA ILE A 1 2.410 -4.651 -0.977 1.00 41.15 C ATOM 22 C ILE A 1 2.461 -5.510 -2.245 1.00 31.23 C ATOM 23 O ILE A 1 1.546 -6.282 -2.526 1.00 51.03 O ATOM 24 CB ILE A 1 1.604 -5.265 0.193 1.00 2.10 C ATOM 25 CG1 ILE A 1 2.227 -6.605 0.624 1.00 4.02 C ATOM 26 CG2 ILE A 1 0.096 -5.407 -0.079 1.00 3.00 C ATOM 27 CD1 ILE A 1 1.564 -7.188 1.876 1.00 42.11 C ATOM 0 H ILE A 1 1.328 -3.332 -2.169 1.00 34.41 H new ATOM 0 HA ILE A 1 3.431 -4.588 -0.600 1.00 41.15 H new ATOM 0 HB ILE A 1 1.673 -4.552 1.015 1.00 2.10 H new ATOM 0 HG12 ILE A 1 2.142 -7.320 -0.194 1.00 4.02 H new ATOM 0 HG13 ILE A 1 3.291 -6.462 0.814 1.00 4.02 H new ATOM 0 HG21 ILE A 1 -0.391 -5.845 0.792 1.00 3.00 H new ATOM 0 HG22 ILE A 1 -0.332 -4.424 -0.278 1.00 3.00 H new ATOM 0 HG23 ILE A 1 -0.059 -6.052 -0.944 1.00 3.00 H new ATOM 0 HD11 ILE A 1 2.043 -8.133 2.135 1.00 42.11 H new ATOM 0 HD12 ILE A 1 1.672 -6.488 2.704 1.00 42.11 H new ATOM 0 HD13 ILE A 1 0.505 -7.359 1.681 1.00 42.11 H new ATOM 39 N GLN A 2 3.549 -5.368 -3.016 1.00 2.24 N ATOM 40 CA GLN A 2 3.799 -6.163 -4.210 1.00 0.40 C ATOM 41 C GLN A 2 4.338 -7.530 -3.785 1.00 13.10 C ATOM 42 O GLN A 2 5.541 -7.780 -3.843 1.00 63.32 O ATOM 43 CB GLN A 2 4.757 -5.409 -5.145 1.00 54.33 C ATOM 44 CG GLN A 2 4.884 -6.127 -6.495 1.00 3.32 C ATOM 45 CD GLN A 2 5.833 -5.390 -7.434 1.00 44.03 C ATOM 46 OE1 GLN A 2 6.960 -5.830 -7.653 1.00 60.25 O ATOM 47 NE2 GLN A 2 5.377 -4.269 -7.998 1.00 21.32 N ATOM 0 H GLN A 2 4.284 -4.688 -2.819 1.00 2.24 H new ATOM 0 HA GLN A 2 2.878 -6.327 -4.770 1.00 0.40 H new ATOM 0 HB2 GLN A 2 4.394 -4.393 -5.302 1.00 54.33 H new ATOM 0 HB3 GLN A 2 5.739 -5.328 -4.678 1.00 54.33 H new ATOM 0 HG2 GLN A 2 5.245 -7.143 -6.335 1.00 3.32 H new ATOM 0 HG3 GLN A 2 3.901 -6.207 -6.959 1.00 3.32 H new ATOM 0 HE21 GLN A 2 4.435 -3.939 -7.788 1.00 21.32 H new ATOM 0 HE22 GLN A 2 5.971 -3.742 -8.638 1.00 21.32 H new ATOM 56 N ARG A 3 3.430 -8.406 -3.342 1.00 4.12 N ATOM 57 CA ARG A 3 3.749 -9.742 -2.867 1.00 64.42 C ATOM 58 C ARG A 3 3.822 -10.678 -4.077 1.00 2.23 C ATOM 59 O ARG A 3 2.846 -10.809 -4.812 1.00 14.10 O ATOM 60 CB ARG A 3 2.700 -10.175 -1.824 1.00 33.53 C ATOM 61 CG ARG A 3 3.351 -10.689 -0.533 1.00 41.15 C ATOM 62 CD ARG A 3 3.986 -12.065 -0.738 1.00 21.50 C ATOM 63 NE ARG A 3 4.898 -12.415 0.354 1.00 71.45 N ATOM 64 CZ ARG A 3 5.757 -13.448 0.316 1.00 63.43 C ATOM 65 NH1 ARG A 3 5.845 -14.233 -0.770 1.00 2.05 N ATOM 66 NH2 ARG A 3 6.537 -13.695 1.377 1.00 21.14 N ATOM 0 H ARG A 3 2.433 -8.194 -3.306 1.00 4.12 H new ATOM 0 HA ARG A 3 4.717 -9.773 -2.367 1.00 64.42 H new ATOM 0 HB2 ARG A 3 2.050 -9.331 -1.591 1.00 33.53 H new ATOM 0 HB3 ARG A 3 2.069 -10.956 -2.248 1.00 33.53 H new ATOM 0 HG2 ARG A 3 4.111 -9.982 -0.200 1.00 41.15 H new ATOM 0 HG3 ARG A 3 2.602 -10.746 0.256 1.00 41.15 H new ATOM 0 HD2 ARG A 3 3.202 -12.819 -0.812 1.00 21.50 H new ATOM 0 HD3 ARG A 3 4.530 -12.077 -1.683 1.00 21.50 H new ATOM 0 HE ARG A 3 4.880 -11.839 1.195 1.00 71.45 H new ATOM 0 HH11 ARG A 3 5.255 -14.049 -1.581 1.00 2.05 H new ATOM 0 HH12 ARG A 3 6.502 -15.013 -0.783 1.00 2.05 H new ATOM 0 HH21 ARG A 3 6.476 -13.101 2.204 1.00 21.14 H new ATOM 0 HH22 ARG A 3 7.192 -14.477 1.358 1.00 21.14 H new ATOM 80 N THR A 4 4.997 -11.278 -4.306 1.00 42.21 N ATOM 81 CA THR A 4 5.323 -12.045 -5.504 1.00 13.22 C ATOM 82 C THR A 4 5.139 -13.553 -5.266 1.00 3.50 C ATOM 83 O THR A 4 5.280 -14.010 -4.132 1.00 5.43 O ATOM 84 CB THR A 4 6.782 -11.748 -5.893 1.00 15.14 C ATOM 85 OG1 THR A 4 7.636 -12.029 -4.802 1.00 22.43 O ATOM 86 CG2 THR A 4 6.975 -10.291 -6.327 1.00 1.01 C ATOM 0 H THR A 4 5.768 -11.239 -3.639 1.00 42.21 H new ATOM 0 HA THR A 4 4.649 -11.753 -6.309 1.00 13.22 H new ATOM 0 HB THR A 4 7.031 -12.387 -6.740 1.00 15.14 H new ATOM 0 HG1 THR A 4 8.564 -11.840 -5.055 1.00 22.43 H new ATOM 0 HG21 THR A 4 8.019 -10.126 -6.593 1.00 1.01 H new ATOM 0 HG22 THR A 4 6.343 -10.082 -7.190 1.00 1.01 H new ATOM 0 HG23 THR A 4 6.700 -9.628 -5.507 1.00 1.01 H new ATOM 94 N PRO A 5 4.858 -14.340 -6.323 1.00 11.21 N ATOM 95 CA PRO A 5 4.706 -15.789 -6.247 1.00 73.45 C ATOM 96 C PRO A 5 5.992 -16.485 -5.793 1.00 12.34 C ATOM 97 O PRO A 5 7.035 -16.340 -6.430 1.00 13.14 O ATOM 98 CB PRO A 5 4.314 -16.252 -7.657 1.00 52.54 C ATOM 99 CG PRO A 5 4.772 -15.115 -8.565 1.00 20.43 C ATOM 100 CD PRO A 5 4.617 -13.881 -7.683 1.00 60.13 C ATOM 0 HA PRO A 5 3.950 -16.049 -5.507 1.00 73.45 H new ATOM 0 HB2 PRO A 5 4.802 -17.191 -7.918 1.00 52.54 H new ATOM 0 HB3 PRO A 5 3.240 -16.418 -7.737 1.00 52.54 H new ATOM 0 HG2 PRO A 5 5.803 -15.250 -8.891 1.00 20.43 H new ATOM 0 HG3 PRO A 5 4.160 -15.047 -9.464 1.00 20.43 H new ATOM 0 HD2 PRO A 5 5.328 -13.105 -7.967 1.00 60.13 H new ATOM 0 HD3 PRO A 5 3.620 -13.452 -7.781 1.00 60.13 H new ATOM 108 N LYS A 6 5.895 -17.272 -4.713 1.00 62.53 N ATOM 109 CA LYS A 6 6.944 -18.170 -4.254 1.00 61.23 C ATOM 110 C LYS A 6 6.830 -19.495 -5.010 1.00 40.21 C ATOM 111 O LYS A 6 5.772 -20.124 -5.001 1.00 2.30 O ATOM 112 CB LYS A 6 6.827 -18.385 -2.738 1.00 4.42 C ATOM 113 CG LYS A 6 7.922 -19.345 -2.250 1.00 25.12 C ATOM 114 CD LYS A 6 8.052 -19.339 -0.724 1.00 3.23 C ATOM 115 CE LYS A 6 9.174 -20.295 -0.304 1.00 1.01 C ATOM 116 NZ LYS A 6 9.405 -20.263 1.150 1.00 65.44 N ATOM 0 H LYS A 6 5.062 -17.297 -4.125 1.00 62.53 H new ATOM 0 HA LYS A 6 7.923 -17.733 -4.453 1.00 61.23 H new ATOM 0 HB2 LYS A 6 6.914 -17.430 -2.221 1.00 4.42 H new ATOM 0 HB3 LYS A 6 5.844 -18.790 -2.496 1.00 4.42 H new ATOM 0 HG2 LYS A 6 7.696 -20.356 -2.591 1.00 25.12 H new ATOM 0 HG3 LYS A 6 8.876 -19.064 -2.696 1.00 25.12 H new ATOM 0 HD2 LYS A 6 8.267 -18.331 -0.370 1.00 3.23 H new ATOM 0 HD3 LYS A 6 7.110 -19.643 -0.267 1.00 3.23 H new ATOM 0 HE2 LYS A 6 8.920 -21.310 -0.609 1.00 1.01 H new ATOM 0 HE3 LYS A 6 10.094 -20.027 -0.824 1.00 1.01 H new ATOM 0 HZ1 LYS A 6 10.171 -20.923 1.394 1.00 65.44 H new ATOM 0 HZ2 LYS A 6 9.672 -19.300 1.438 1.00 65.44 H new ATOM 0 HZ3 LYS A 6 8.535 -20.544 1.646 1.00 65.44 H new ATOM 130 N ILE A 7 7.930 -19.917 -5.645 1.00 53.22 N ATOM 131 CA ILE A 7 8.003 -21.160 -6.400 1.00 25.20 C ATOM 132 C ILE A 7 8.182 -22.351 -5.453 1.00 2.43 C ATOM 133 O ILE A 7 9.023 -22.312 -4.556 1.00 3.35 O ATOM 134 CB ILE A 7 9.116 -21.086 -7.464 1.00 5.00 C ATOM 135 CG1 ILE A 7 10.509 -20.771 -6.880 1.00 23.11 C ATOM 136 CG2 ILE A 7 8.722 -20.045 -8.523 1.00 0.35 C ATOM 137 CD1 ILE A 7 11.640 -20.983 -7.891 1.00 11.13 C ATOM 0 H ILE A 7 8.804 -19.392 -5.645 1.00 53.22 H new ATOM 0 HA ILE A 7 7.063 -21.308 -6.932 1.00 25.20 H new ATOM 0 HB ILE A 7 9.206 -22.075 -7.914 1.00 5.00 H new ATOM 0 HG12 ILE A 7 10.527 -19.738 -6.533 1.00 23.11 H new ATOM 0 HG13 ILE A 7 10.684 -21.403 -6.009 1.00 23.11 H new ATOM 0 HG21 ILE A 7 9.503 -19.984 -9.281 1.00 0.35 H new ATOM 0 HG22 ILE A 7 7.783 -20.340 -8.992 1.00 0.35 H new ATOM 0 HG23 ILE A 7 8.600 -19.071 -8.048 1.00 0.35 H new ATOM 0 HD11 ILE A 7 12.595 -20.746 -7.423 1.00 11.13 H new ATOM 0 HD12 ILE A 7 11.645 -22.022 -8.219 1.00 11.13 H new ATOM 0 HD13 ILE A 7 11.486 -20.332 -8.751 1.00 11.13 H new ATOM 149 N GLN A 8 7.375 -23.401 -5.649 1.00 65.32 N ATOM 150 CA GLN A 8 7.450 -24.659 -4.915 1.00 23.14 C ATOM 151 C GLN A 8 7.012 -25.779 -5.866 1.00 75.42 C ATOM 152 O GLN A 8 5.897 -26.290 -5.760 1.00 5.02 O ATOM 153 CB GLN A 8 6.578 -24.605 -3.646 1.00 13.33 C ATOM 154 CG GLN A 8 7.048 -23.558 -2.626 1.00 63.23 C ATOM 155 CD GLN A 8 6.202 -23.557 -1.353 1.00 5.34 C ATOM 156 OE1 GLN A 8 6.059 -24.585 -0.695 1.00 2.20 O ATOM 157 NE2 GLN A 8 5.642 -22.397 -0.997 1.00 63.42 N ATOM 0 H GLN A 8 6.630 -23.393 -6.346 1.00 65.32 H new ATOM 0 HA GLN A 8 8.469 -24.848 -4.577 1.00 23.14 H new ATOM 0 HB2 GLN A 8 5.549 -24.387 -3.931 1.00 13.33 H new ATOM 0 HB3 GLN A 8 6.577 -25.587 -3.173 1.00 13.33 H new ATOM 0 HG2 GLN A 8 8.089 -23.751 -2.366 1.00 63.23 H new ATOM 0 HG3 GLN A 8 7.012 -22.569 -3.083 1.00 63.23 H new ATOM 0 HE21 GLN A 8 5.784 -21.565 -1.570 1.00 63.42 H new ATOM 0 HE22 GLN A 8 5.072 -22.344 -0.153 1.00 63.42 H new ATOM 166 N VAL A 9 7.889 -26.124 -6.820 1.00 41.45 N ATOM 167 CA VAL A 9 7.603 -27.057 -7.904 1.00 32.24 C ATOM 168 C VAL A 9 8.209 -28.425 -7.595 1.00 20.10 C ATOM 169 O VAL A 9 9.369 -28.687 -7.910 1.00 24.30 O ATOM 170 CB VAL A 9 8.138 -26.502 -9.230 1.00 63.34 C ATOM 171 CG1 VAL A 9 7.796 -27.446 -10.389 1.00 22.33 C ATOM 172 CG2 VAL A 9 7.554 -25.116 -9.529 1.00 31.22 C ATOM 0 H VAL A 9 8.837 -25.750 -6.854 1.00 41.45 H new ATOM 0 HA VAL A 9 6.524 -27.179 -7.997 1.00 32.24 H new ATOM 0 HB VAL A 9 9.220 -26.418 -9.132 1.00 63.34 H new ATOM 0 HG11 VAL A 9 8.184 -27.034 -11.320 1.00 22.33 H new ATOM 0 HG12 VAL A 9 8.246 -28.422 -10.208 1.00 22.33 H new ATOM 0 HG13 VAL A 9 6.714 -27.554 -10.463 1.00 22.33 H new ATOM 0 HG21 VAL A 9 7.952 -24.750 -10.475 1.00 31.22 H new ATOM 0 HG22 VAL A 9 6.468 -25.185 -9.595 1.00 31.22 H new ATOM 0 HG23 VAL A 9 7.826 -24.427 -8.730 1.00 31.22 H new ATOM 182 N TYR A 10 7.397 -29.285 -6.981 1.00 63.43 N ATOM 183 CA TYR A 10 7.770 -30.635 -6.574 1.00 42.01 C ATOM 184 C TYR A 10 7.026 -31.673 -7.412 1.00 1.30 C ATOM 185 O TYR A 10 5.959 -31.388 -7.951 1.00 62.51 O ATOM 186 CB TYR A 10 7.475 -30.824 -5.079 1.00 14.22 C ATOM 187 CG TYR A 10 6.030 -30.636 -4.648 1.00 75.24 C ATOM 188 CD1 TYR A 10 5.572 -29.362 -4.262 1.00 13.53 C ATOM 189 CD2 TYR A 10 5.179 -31.750 -4.514 1.00 73.43 C ATOM 190 CE1 TYR A 10 4.262 -29.197 -3.780 1.00 12.42 C ATOM 191 CE2 TYR A 10 3.874 -31.587 -4.018 1.00 34.40 C ATOM 192 CZ TYR A 10 3.411 -30.309 -3.660 1.00 42.31 C ATOM 193 OH TYR A 10 2.135 -30.149 -3.201 1.00 33.44 O ATOM 0 H TYR A 10 6.432 -29.052 -6.747 1.00 63.43 H new ATOM 0 HA TYR A 10 8.838 -30.775 -6.741 1.00 42.01 H new ATOM 0 HB2 TYR A 10 7.789 -31.828 -4.793 1.00 14.22 H new ATOM 0 HB3 TYR A 10 8.093 -30.124 -4.517 1.00 14.22 H new ATOM 0 HD1 TYR A 10 6.229 -28.508 -4.336 1.00 13.53 H new ATOM 0 HD2 TYR A 10 5.530 -32.732 -4.793 1.00 73.43 H new ATOM 0 HE1 TYR A 10 3.909 -28.215 -3.502 1.00 12.42 H new ATOM 0 HE2 TYR A 10 3.226 -32.445 -3.912 1.00 34.40 H new ATOM 0 HH TYR A 10 1.683 -31.018 -3.181 1.00 33.44 H new ATOM 203 N SER A 11 7.571 -32.891 -7.484 1.00 35.54 N ATOM 204 CA SER A 11 6.879 -34.055 -8.016 1.00 40.03 C ATOM 205 C SER A 11 6.179 -34.783 -6.871 1.00 51.11 C ATOM 206 O SER A 11 6.770 -34.984 -5.810 1.00 23.40 O ATOM 207 CB SER A 11 7.870 -34.992 -8.709 1.00 62.32 C ATOM 208 OG SER A 11 9.005 -35.227 -7.902 1.00 24.12 O ATOM 0 H SER A 11 8.520 -33.093 -7.168 1.00 35.54 H new ATOM 0 HA SER A 11 6.141 -33.734 -8.751 1.00 40.03 H new ATOM 0 HB2 SER A 11 7.380 -35.939 -8.936 1.00 62.32 H new ATOM 0 HB3 SER A 11 8.181 -34.558 -9.659 1.00 62.32 H new ATOM 0 HG SER A 11 9.620 -35.830 -8.370 1.00 24.12 H new ATOM 214 N ARG A 12 4.928 -35.195 -7.096 1.00 41.25 N ATOM 215 CA ARG A 12 4.174 -36.000 -6.145 1.00 42.12 C ATOM 216 C ARG A 12 4.655 -37.452 -6.202 1.00 73.14 C ATOM 217 O ARG A 12 5.048 -38.011 -5.179 1.00 53.24 O ATOM 218 CB ARG A 12 2.674 -35.867 -6.440 1.00 42.43 C ATOM 219 CG ARG A 12 1.789 -36.859 -5.678 1.00 63.45 C ATOM 220 CD ARG A 12 1.881 -36.680 -4.158 1.00 54.24 C ATOM 221 NE ARG A 12 1.068 -37.683 -3.461 1.00 14.34 N ATOM 222 CZ ARG A 12 1.389 -38.984 -3.342 1.00 14.22 C ATOM 223 NH1 ARG A 12 2.545 -39.462 -3.831 1.00 31.24 N ATOM 224 NH2 ARG A 12 0.540 -39.817 -2.725 1.00 54.24 N ATOM 0 H ARG A 12 4.412 -34.976 -7.948 1.00 41.25 H new ATOM 0 HA ARG A 12 4.342 -35.644 -5.129 1.00 42.12 H new ATOM 0 HB2 ARG A 12 2.356 -34.853 -6.196 1.00 42.43 H new ATOM 0 HB3 ARG A 12 2.513 -36.002 -7.510 1.00 42.43 H new ATOM 0 HG2 ARG A 12 0.753 -36.734 -5.993 1.00 63.45 H new ATOM 0 HG3 ARG A 12 2.081 -37.876 -5.939 1.00 63.45 H new ATOM 0 HD2 ARG A 12 2.920 -36.764 -3.840 1.00 54.24 H new ATOM 0 HD3 ARG A 12 1.544 -35.680 -3.885 1.00 54.24 H new ATOM 0 HE ARG A 12 0.195 -37.371 -3.035 1.00 14.34 H new ATOM 0 HH11 ARG A 12 3.197 -38.835 -4.302 1.00 31.24 H new ATOM 0 HH12 ARG A 12 2.771 -40.452 -3.731 1.00 31.24 H new ATOM 0 HH21 ARG A 12 -0.340 -39.463 -2.351 1.00 54.24 H new ATOM 0 HH22 ARG A 12 0.774 -40.805 -2.630 1.00 54.24 H new ATOM 238 N HIS A 13 4.609 -38.059 -7.394 1.00 51.04 N ATOM 239 CA HIS A 13 5.034 -39.433 -7.629 1.00 32.40 C ATOM 240 C HIS A 13 6.517 -39.438 -8.011 1.00 12.32 C ATOM 241 O HIS A 13 7.020 -38.426 -8.495 1.00 33.10 O ATOM 242 CB HIS A 13 4.177 -40.030 -8.752 1.00 33.50 C ATOM 243 CG HIS A 13 2.705 -40.026 -8.434 1.00 45.51 C ATOM 244 ND1 HIS A 13 2.048 -41.121 -7.897 1.00 33.33 N ATOM 245 CD2 HIS A 13 1.747 -39.047 -8.542 1.00 63.25 C ATOM 246 CE1 HIS A 13 0.762 -40.770 -7.723 1.00 22.42 C ATOM 247 NE2 HIS A 13 0.515 -39.511 -8.091 1.00 32.20 N ATOM 0 H HIS A 13 4.267 -37.594 -8.235 1.00 51.04 H new ATOM 0 HA HIS A 13 4.905 -40.036 -6.730 1.00 32.40 H new ATOM 0 HB2 HIS A 13 4.346 -39.467 -9.670 1.00 33.50 H new ATOM 0 HB3 HIS A 13 4.499 -41.054 -8.942 1.00 33.50 H new ATOM 0 HD2 HIS A 13 1.926 -38.053 -8.925 1.00 63.25 H new ATOM 0 HE1 HIS A 13 0.009 -41.436 -7.328 1.00 22.42 H new ATOM 0 HE2 HIS A 13 -0.371 -39.006 -8.051 1.00 32.20 H new ATOM 255 N PRO A 14 7.238 -40.554 -7.820 1.00 65.52 N ATOM 256 CA PRO A 14 8.623 -40.665 -8.246 1.00 14.13 C ATOM 257 C PRO A 14 8.704 -40.666 -9.776 1.00 61.21 C ATOM 258 O PRO A 14 7.838 -41.226 -10.448 1.00 35.21 O ATOM 259 CB PRO A 14 9.136 -41.971 -7.635 1.00 60.11 C ATOM 260 CG PRO A 14 7.873 -42.820 -7.505 1.00 53.43 C ATOM 261 CD PRO A 14 6.793 -41.785 -7.188 1.00 52.43 C ATOM 0 HA PRO A 14 9.233 -39.825 -7.915 1.00 14.13 H new ATOM 0 HB2 PRO A 14 9.878 -42.450 -8.274 1.00 60.11 H new ATOM 0 HB3 PRO A 14 9.609 -41.804 -6.667 1.00 60.11 H new ATOM 0 HG2 PRO A 14 7.655 -43.362 -8.425 1.00 53.43 H new ATOM 0 HG3 PRO A 14 7.966 -43.562 -6.712 1.00 53.43 H new ATOM 0 HD2 PRO A 14 5.824 -42.098 -7.576 1.00 52.43 H new ATOM 0 HD3 PRO A 14 6.678 -41.655 -6.112 1.00 52.43 H new ATOM 269 N ALA A 15 9.744 -40.017 -10.315 1.00 2.13 N ATOM 270 CA ALA A 15 9.979 -39.893 -11.746 1.00 4.41 C ATOM 271 C ALA A 15 10.665 -41.156 -12.266 1.00 34.23 C ATOM 272 O ALA A 15 11.857 -41.142 -12.573 1.00 33.32 O ATOM 273 CB ALA A 15 10.820 -38.640 -12.002 1.00 34.53 C ATOM 0 H ALA A 15 10.457 -39.556 -9.750 1.00 2.13 H new ATOM 0 HA ALA A 15 9.036 -39.788 -12.282 1.00 4.41 H new ATOM 0 HB1 ALA A 15 11.003 -38.537 -13.072 1.00 34.53 H new ATOM 0 HB2 ALA A 15 10.285 -37.762 -11.639 1.00 34.53 H new ATOM 0 HB3 ALA A 15 11.772 -38.727 -11.478 1.00 34.53 H new ATOM 279 N GLU A 16 9.907 -42.256 -12.334 1.00 54.24 N ATOM 280 CA GLU A 16 10.443 -43.590 -12.556 1.00 72.33 C ATOM 281 C GLU A 16 10.501 -43.893 -14.058 1.00 12.04 C ATOM 282 O GLU A 16 9.711 -44.683 -14.571 1.00 4.34 O ATOM 283 CB GLU A 16 9.616 -44.591 -11.729 1.00 40.54 C ATOM 284 CG GLU A 16 10.359 -45.899 -11.424 1.00 21.52 C ATOM 285 CD GLU A 16 10.527 -46.789 -12.652 1.00 60.52 C ATOM 286 OE1 GLU A 16 9.541 -47.482 -12.988 1.00 63.31 O ATOM 287 OE2 GLU A 16 11.633 -46.760 -13.232 1.00 54.11 O ATOM 0 H GLU A 16 8.892 -42.237 -12.234 1.00 54.24 H new ATOM 0 HA GLU A 16 11.474 -43.672 -12.212 1.00 72.33 H new ATOM 0 HB2 GLU A 16 9.325 -44.121 -10.790 1.00 40.54 H new ATOM 0 HB3 GLU A 16 8.697 -44.822 -12.267 1.00 40.54 H new ATOM 0 HG2 GLU A 16 11.342 -45.665 -11.014 1.00 21.52 H new ATOM 0 HG3 GLU A 16 9.816 -46.448 -10.655 1.00 21.52 H new ATOM 294 N ASN A 17 11.468 -43.265 -14.742 1.00 1.05 N ATOM 295 CA ASN A 17 11.898 -43.566 -16.105 1.00 54.02 C ATOM 296 C ASN A 17 10.729 -43.738 -17.081 1.00 1.04 C ATOM 297 O ASN A 17 10.437 -44.852 -17.514 1.00 12.43 O ATOM 298 CB ASN A 17 12.814 -44.799 -16.095 1.00 14.23 C ATOM 299 CG ASN A 17 14.037 -44.599 -15.202 1.00 42.05 C ATOM 300 OD1 ASN A 17 14.097 -45.132 -14.096 1.00 75.21 O ATOM 301 ND2 ASN A 17 15.019 -43.833 -15.682 1.00 34.32 N ATOM 0 H ASN A 17 11.996 -42.494 -14.333 1.00 1.05 H new ATOM 0 HA ASN A 17 12.457 -42.706 -16.473 1.00 54.02 H new ATOM 0 HB2 ASN A 17 12.251 -45.666 -15.749 1.00 14.23 H new ATOM 0 HB3 ASN A 17 13.140 -45.016 -17.112 1.00 14.23 H new ATOM 0 HD21 ASN A 17 15.859 -43.672 -15.126 1.00 34.32 H new ATOM 0 HD22 ASN A 17 14.930 -43.409 -16.605 1.00 34.32 H new ATOM 308 N GLY A 18 10.071 -42.630 -17.441 1.00 34.12 N ATOM 309 CA GLY A 18 8.961 -42.635 -18.382 1.00 40.34 C ATOM 310 C GLY A 18 7.757 -43.370 -17.798 1.00 74.34 C ATOM 311 O GLY A 18 7.283 -44.346 -18.378 1.00 11.05 O ATOM 0 H GLY A 18 10.300 -41.703 -17.082 1.00 34.12 H new ATOM 0 HA2 GLY A 18 8.683 -41.610 -18.628 1.00 40.34 H new ATOM 0 HA3 GLY A 18 9.269 -43.114 -19.312 1.00 40.34 H new ATOM 315 N LYS A 19 7.271 -42.886 -16.650 1.00 64.22 N ATOM 316 CA LYS A 19 6.108 -43.407 -15.951 1.00 63.13 C ATOM 317 C LYS A 19 5.367 -42.217 -15.341 1.00 2.43 C ATOM 318 O LYS A 19 5.983 -41.400 -14.659 1.00 54.31 O ATOM 319 CB LYS A 19 6.573 -44.403 -14.885 1.00 51.02 C ATOM 320 CG LYS A 19 5.413 -45.189 -14.268 1.00 51.45 C ATOM 321 CD LYS A 19 5.969 -46.146 -13.205 1.00 5.22 C ATOM 322 CE LYS A 19 4.888 -47.027 -12.571 1.00 34.31 C ATOM 323 NZ LYS A 19 4.306 -47.973 -13.539 1.00 52.34 N ATOM 0 H LYS A 19 7.697 -42.093 -16.171 1.00 64.22 H new ATOM 0 HA LYS A 19 5.432 -43.938 -16.621 1.00 63.13 H new ATOM 0 HB2 LYS A 19 7.284 -45.100 -15.329 1.00 51.02 H new ATOM 0 HB3 LYS A 19 7.103 -43.866 -14.098 1.00 51.02 H new ATOM 0 HG2 LYS A 19 4.692 -44.506 -13.820 1.00 51.45 H new ATOM 0 HG3 LYS A 19 4.885 -45.749 -15.040 1.00 51.45 H new ATOM 0 HD2 LYS A 19 6.729 -46.782 -13.658 1.00 5.22 H new ATOM 0 HD3 LYS A 19 6.462 -45.567 -12.424 1.00 5.22 H new ATOM 0 HE2 LYS A 19 5.316 -47.581 -11.736 1.00 34.31 H new ATOM 0 HE3 LYS A 19 4.099 -46.395 -12.163 1.00 34.31 H new ATOM 0 HZ1 LYS A 19 3.641 -48.605 -13.050 1.00 52.34 H new ATOM 0 HZ2 LYS A 19 3.801 -47.445 -14.279 1.00 52.34 H new ATOM 0 HZ3 LYS A 19 5.065 -48.537 -13.972 1.00 52.34 H new ATOM 337 N SER A 20 4.064 -42.108 -15.631 1.00 40.45 N ATOM 338 CA SER A 20 3.249 -40.916 -15.410 1.00 42.14 C ATOM 339 C SER A 20 3.403 -40.354 -13.994 1.00 65.42 C ATOM 340 O SER A 20 3.380 -41.105 -13.018 1.00 72.52 O ATOM 341 CB SER A 20 1.780 -41.220 -15.723 1.00 25.30 C ATOM 342 OG SER A 20 1.651 -41.716 -17.040 1.00 51.24 O ATOM 0 H SER A 20 3.534 -42.877 -16.040 1.00 40.45 H new ATOM 0 HA SER A 20 3.607 -40.143 -16.090 1.00 42.14 H new ATOM 0 HB2 SER A 20 1.394 -41.951 -15.013 1.00 25.30 H new ATOM 0 HB3 SER A 20 1.182 -40.316 -15.607 1.00 25.30 H new ATOM 0 HG SER A 20 0.708 -41.908 -17.226 1.00 51.24 H new ATOM 348 N ASN A 21 3.604 -39.034 -13.907 1.00 40.52 N ATOM 349 CA ASN A 21 3.988 -38.332 -12.694 1.00 44.44 C ATOM 350 C ASN A 21 3.267 -36.989 -12.664 1.00 65.51 C ATOM 351 O ASN A 21 3.313 -36.246 -13.641 1.00 15.21 O ATOM 352 CB ASN A 21 5.514 -38.148 -12.715 1.00 40.34 C ATOM 353 CG ASN A 21 6.095 -37.504 -11.455 1.00 0.03 C ATOM 354 OD1 ASN A 21 5.374 -37.075 -10.556 1.00 52.34 O ATOM 355 ND2 ASN A 21 7.426 -37.443 -11.391 1.00 4.20 N ATOM 0 H ASN A 21 3.498 -38.412 -14.709 1.00 40.52 H new ATOM 0 HA ASN A 21 3.712 -38.891 -11.800 1.00 44.44 H new ATOM 0 HB2 ASN A 21 5.982 -39.122 -12.858 1.00 40.34 H new ATOM 0 HB3 ASN A 21 5.781 -37.536 -13.576 1.00 40.34 H new ATOM 0 HD21 ASN A 21 7.879 -37.030 -10.576 1.00 4.20 H new ATOM 0 HD22 ASN A 21 7.991 -37.810 -12.157 1.00 4.20 H new ATOM 362 N PHE A 22 2.614 -36.667 -11.542 1.00 75.25 N ATOM 363 CA PHE A 22 1.995 -35.368 -11.358 1.00 61.22 C ATOM 364 C PHE A 22 3.043 -34.369 -10.880 1.00 62.13 C ATOM 365 O PHE A 22 3.590 -34.517 -9.787 1.00 42.23 O ATOM 366 CB PHE A 22 0.803 -35.443 -10.397 1.00 2.41 C ATOM 367 CG PHE A 22 -0.427 -36.119 -10.979 1.00 65.42 C ATOM 368 CD1 PHE A 22 -0.482 -37.522 -11.085 1.00 24.24 C ATOM 369 CD2 PHE A 22 -1.525 -35.347 -11.407 1.00 11.40 C ATOM 370 CE1 PHE A 22 -1.637 -38.148 -11.584 1.00 3.43 C ATOM 371 CE2 PHE A 22 -2.677 -35.977 -11.912 1.00 3.05 C ATOM 372 CZ PHE A 22 -2.731 -37.375 -12.007 1.00 4.40 C ATOM 0 H PHE A 22 2.505 -37.299 -10.749 1.00 75.25 H new ATOM 0 HA PHE A 22 1.599 -35.028 -12.315 1.00 61.22 H new ATOM 0 HB2 PHE A 22 1.108 -35.981 -9.499 1.00 2.41 H new ATOM 0 HB3 PHE A 22 0.536 -34.432 -10.088 1.00 2.41 H new ATOM 0 HD1 PHE A 22 0.366 -38.119 -10.782 1.00 24.24 H new ATOM 0 HD2 PHE A 22 -1.482 -34.269 -11.347 1.00 11.40 H new ATOM 0 HE1 PHE A 22 -1.684 -39.225 -11.642 1.00 3.43 H new ATOM 0 HE2 PHE A 22 -3.522 -35.383 -12.227 1.00 3.05 H new ATOM 0 HZ PHE A 22 -3.612 -37.857 -12.405 1.00 4.40 H new ATOM 382 N LEU A 23 3.283 -33.330 -11.691 1.00 21.13 N ATOM 383 CA LEU A 23 3.985 -32.134 -11.253 1.00 34.30 C ATOM 384 C LEU A 23 3.043 -31.394 -10.309 1.00 62.13 C ATOM 385 O LEU A 23 1.831 -31.523 -10.458 1.00 2.43 O ATOM 386 CB LEU A 23 4.320 -31.260 -12.469 1.00 40.53 C ATOM 387 CG LEU A 23 5.299 -30.114 -12.184 1.00 24.22 C ATOM 388 CD1 LEU A 23 6.671 -30.653 -11.767 1.00 52.21 C ATOM 389 CD2 LEU A 23 5.451 -29.276 -13.459 1.00 63.14 C ATOM 0 H LEU A 23 2.992 -33.303 -12.668 1.00 21.13 H new ATOM 0 HA LEU A 23 4.920 -32.380 -10.750 1.00 34.30 H new ATOM 0 HB2 LEU A 23 4.741 -31.893 -13.250 1.00 40.53 H new ATOM 0 HB3 LEU A 23 3.395 -30.840 -12.863 1.00 40.53 H new ATOM 0 HG LEU A 23 4.908 -29.508 -11.367 1.00 24.22 H new ATOM 0 HD11 LEU A 23 7.345 -29.819 -11.571 1.00 52.21 H new ATOM 0 HD12 LEU A 23 6.566 -31.255 -10.864 1.00 52.21 H new ATOM 0 HD13 LEU A 23 7.079 -31.269 -12.569 1.00 52.21 H new ATOM 0 HD21 LEU A 23 6.144 -28.455 -13.275 1.00 63.14 H new ATOM 0 HD22 LEU A 23 5.836 -29.903 -14.263 1.00 63.14 H new ATOM 0 HD23 LEU A 23 4.480 -28.873 -13.747 1.00 63.14 H new ATOM 401 N ASN A 24 3.579 -30.658 -9.331 1.00 45.02 N ATOM 402 CA ASN A 24 2.787 -29.942 -8.343 1.00 54.54 C ATOM 403 C ASN A 24 3.389 -28.552 -8.154 1.00 65.34 C ATOM 404 O ASN A 24 4.209 -28.338 -7.262 1.00 12.54 O ATOM 405 CB ASN A 24 2.739 -30.739 -7.035 1.00 22.33 C ATOM 406 CG ASN A 24 1.729 -31.888 -7.077 1.00 4.40 C ATOM 407 OD1 ASN A 24 0.691 -31.824 -6.423 1.00 41.23 O ATOM 408 ND2 ASN A 24 2.022 -32.944 -7.837 1.00 22.21 N ATOM 0 H ASN A 24 4.585 -30.545 -9.207 1.00 45.02 H new ATOM 0 HA ASN A 24 1.757 -29.827 -8.681 1.00 54.54 H new ATOM 0 HB2 ASN A 24 3.730 -31.140 -6.823 1.00 22.33 H new ATOM 0 HB3 ASN A 24 2.485 -30.068 -6.215 1.00 22.33 H new ATOM 0 HD21 ASN A 24 1.375 -33.731 -7.888 1.00 22.21 H new ATOM 0 HD22 ASN A 24 2.893 -32.965 -8.367 1.00 22.21 H new ATOM 415 N CYS A 25 2.961 -27.611 -9.005 1.00 64.11 N ATOM 416 CA CYS A 25 3.371 -26.216 -8.968 1.00 74.34 C ATOM 417 C CYS A 25 2.499 -25.470 -7.956 1.00 44.11 C ATOM 418 O CYS A 25 1.425 -24.978 -8.298 1.00 54.23 O ATOM 419 CB CYS A 25 3.292 -25.629 -10.386 1.00 15.14 C ATOM 420 SG CYS A 25 4.451 -26.408 -11.537 1.00 52.14 S ATOM 0 H CYS A 25 2.302 -27.813 -9.757 1.00 64.11 H new ATOM 0 HA CYS A 25 4.405 -26.113 -8.640 1.00 74.34 H new ATOM 0 HB2 CYS A 25 2.277 -25.746 -10.766 1.00 15.14 H new ATOM 0 HB3 CYS A 25 3.495 -24.559 -10.343 1.00 15.14 H new ATOM 425 N TYR A 26 2.968 -25.409 -6.701 1.00 43.22 N ATOM 426 CA TYR A 26 2.271 -24.782 -5.585 1.00 13.25 C ATOM 427 C TYR A 26 2.668 -23.307 -5.507 1.00 23.22 C ATOM 428 O TYR A 26 3.694 -22.966 -4.921 1.00 5.41 O ATOM 429 CB TYR A 26 2.602 -25.548 -4.299 1.00 73.44 C ATOM 430 CG TYR A 26 1.945 -25.018 -3.036 1.00 72.42 C ATOM 431 CD1 TYR A 26 0.667 -25.476 -2.667 1.00 34.33 C ATOM 432 CD2 TYR A 26 2.655 -24.170 -2.163 1.00 13.55 C ATOM 433 CE1 TYR A 26 0.129 -25.143 -1.415 1.00 74.33 C ATOM 434 CE2 TYR A 26 2.096 -23.798 -0.927 1.00 71.12 C ATOM 435 CZ TYR A 26 0.833 -24.289 -0.549 1.00 42.33 C ATOM 436 OH TYR A 26 0.292 -23.947 0.656 1.00 13.33 O ATOM 0 H TYR A 26 3.868 -25.808 -6.434 1.00 43.22 H new ATOM 0 HA TYR A 26 1.191 -24.821 -5.726 1.00 13.25 H new ATOM 0 HB2 TYR A 26 2.308 -26.589 -4.431 1.00 73.44 H new ATOM 0 HB3 TYR A 26 3.683 -25.537 -4.158 1.00 73.44 H new ATOM 0 HD1 TYR A 26 0.097 -26.087 -3.351 1.00 34.33 H new ATOM 0 HD2 TYR A 26 3.632 -23.804 -2.444 1.00 13.55 H new ATOM 0 HE1 TYR A 26 -0.828 -25.544 -1.116 1.00 74.33 H new ATOM 0 HE2 TYR A 26 2.637 -23.135 -0.268 1.00 71.12 H new ATOM 0 HH TYR A 26 -0.666 -23.774 0.547 1.00 13.33 H new ATOM 446 N VAL A 27 1.867 -22.433 -6.130 1.00 20.21 N ATOM 447 CA VAL A 27 2.211 -21.030 -6.310 1.00 21.40 C ATOM 448 C VAL A 27 1.492 -20.197 -5.250 1.00 60.32 C ATOM 449 O VAL A 27 0.319 -19.868 -5.416 1.00 13.30 O ATOM 450 CB VAL A 27 1.866 -20.592 -7.745 1.00 23.31 C ATOM 451 CG1 VAL A 27 2.313 -19.145 -7.975 1.00 64.31 C ATOM 452 CG2 VAL A 27 2.575 -21.490 -8.769 1.00 60.23 C ATOM 0 H VAL A 27 0.960 -22.687 -6.522 1.00 20.21 H new ATOM 0 HA VAL A 27 3.282 -20.876 -6.178 1.00 21.40 H new ATOM 0 HB VAL A 27 0.787 -20.675 -7.872 1.00 23.31 H new ATOM 0 HG11 VAL A 27 2.064 -18.845 -8.993 1.00 64.31 H new ATOM 0 HG12 VAL A 27 1.803 -18.490 -7.269 1.00 64.31 H new ATOM 0 HG13 VAL A 27 3.390 -19.069 -7.827 1.00 64.31 H new ATOM 0 HG21 VAL A 27 2.319 -21.165 -9.777 1.00 60.23 H new ATOM 0 HG22 VAL A 27 3.654 -21.421 -8.629 1.00 60.23 H new ATOM 0 HG23 VAL A 27 2.257 -22.523 -8.629 1.00 60.23 H new ATOM 462 N SER A 28 2.195 -19.880 -4.155 1.00 35.41 N ATOM 463 CA SER A 28 1.646 -19.160 -3.013 1.00 22.10 C ATOM 464 C SER A 28 2.182 -17.727 -2.933 1.00 40.02 C ATOM 465 O SER A 28 3.310 -17.458 -3.340 1.00 11.35 O ATOM 466 CB SER A 28 1.986 -19.943 -1.739 1.00 44.04 C ATOM 467 OG SER A 28 3.382 -20.127 -1.612 1.00 24.54 O ATOM 0 H SER A 28 3.179 -20.124 -4.042 1.00 35.41 H new ATOM 0 HA SER A 28 0.565 -19.081 -3.126 1.00 22.10 H new ATOM 0 HB2 SER A 28 1.606 -19.409 -0.868 1.00 44.04 H new ATOM 0 HB3 SER A 28 1.489 -20.913 -1.761 1.00 44.04 H new ATOM 0 HG SER A 28 3.573 -20.627 -0.791 1.00 24.54 H new ATOM 473 N GLY A 29 1.382 -16.819 -2.359 1.00 4.34 N ATOM 474 CA GLY A 29 1.813 -15.483 -1.964 1.00 51.13 C ATOM 475 C GLY A 29 1.841 -14.466 -3.104 1.00 75.24 C ATOM 476 O GLY A 29 2.644 -13.537 -3.061 1.00 1.04 O ATOM 0 H GLY A 29 0.399 -17.002 -2.155 1.00 4.34 H new ATOM 0 HA2 GLY A 29 1.148 -15.116 -1.182 1.00 51.13 H new ATOM 0 HA3 GLY A 29 2.810 -15.550 -1.529 1.00 51.13 H new ATOM 480 N PHE A 30 0.973 -14.615 -4.110 1.00 34.40 N ATOM 481 CA PHE A 30 0.945 -13.729 -5.264 1.00 51.35 C ATOM 482 C PHE A 30 -0.263 -12.797 -5.202 1.00 2.40 C ATOM 483 O PHE A 30 -1.406 -13.247 -5.205 1.00 31.44 O ATOM 484 CB PHE A 30 0.976 -14.555 -6.547 1.00 14.12 C ATOM 485 CG PHE A 30 -0.245 -15.407 -6.795 1.00 14.43 C ATOM 486 CD1 PHE A 30 -0.373 -16.680 -6.210 1.00 63.24 C ATOM 487 CD2 PHE A 30 -1.291 -14.882 -7.569 1.00 4.33 C ATOM 488 CE1 PHE A 30 -1.567 -17.403 -6.372 1.00 65.33 C ATOM 489 CE2 PHE A 30 -2.494 -15.586 -7.692 1.00 21.53 C ATOM 490 CZ PHE A 30 -2.642 -16.829 -7.069 1.00 24.23 C ATOM 0 H PHE A 30 0.272 -15.356 -4.141 1.00 34.40 H new ATOM 0 HA PHE A 30 1.830 -13.093 -5.256 1.00 51.35 H new ATOM 0 HB2 PHE A 30 1.105 -13.879 -7.392 1.00 14.12 H new ATOM 0 HB3 PHE A 30 1.852 -15.203 -6.521 1.00 14.12 H new ATOM 0 HD1 PHE A 30 0.442 -17.099 -5.639 1.00 63.24 H new ATOM 0 HD2 PHE A 30 -1.167 -13.933 -8.070 1.00 4.33 H new ATOM 0 HE1 PHE A 30 -1.657 -18.398 -5.961 1.00 65.33 H new ATOM 0 HE2 PHE A 30 -3.307 -15.170 -8.268 1.00 21.53 H new ATOM 0 HZ PHE A 30 -3.587 -17.349 -7.124 1.00 24.23 H new ATOM 500 N HIS A 31 0.003 -11.494 -5.109 1.00 11.03 N ATOM 501 CA HIS A 31 -1.027 -10.465 -5.016 1.00 42.23 C ATOM 502 C HIS A 31 -0.931 -9.546 -6.236 1.00 52.13 C ATOM 503 O HIS A 31 0.154 -9.034 -6.507 1.00 0.23 O ATOM 504 CB HIS A 31 -0.861 -9.686 -3.705 1.00 33.45 C ATOM 505 CG HIS A 31 -1.341 -10.487 -2.520 1.00 4.00 C ATOM 506 ND1 HIS A 31 -2.451 -10.119 -1.775 1.00 14.41 N ATOM 507 CD2 HIS A 31 -0.943 -11.695 -2.000 1.00 21.35 C ATOM 508 CE1 HIS A 31 -2.667 -11.091 -0.873 1.00 54.42 C ATOM 509 NE2 HIS A 31 -1.786 -12.088 -0.964 1.00 62.21 N ATOM 0 H HIS A 31 0.952 -11.121 -5.096 1.00 11.03 H new ATOM 0 HA HIS A 31 -2.017 -10.920 -5.009 1.00 42.23 H new ATOM 0 HB2 HIS A 31 0.188 -9.424 -3.567 1.00 33.45 H new ATOM 0 HB3 HIS A 31 -1.418 -8.751 -3.763 1.00 33.45 H new ATOM 0 HD1 HIS A 31 -3.002 -9.268 -1.890 1.00 14.41 H new ATOM 0 HD2 HIS A 31 -0.092 -12.262 -2.348 1.00 21.35 H new ATOM 0 HE1 HIS A 31 -3.469 -11.067 -0.151 1.00 54.42 H new ATOM 517 N PRO A 32 -2.027 -9.313 -6.979 1.00 42.31 N ATOM 518 CA PRO A 32 -3.380 -9.804 -6.748 1.00 24.25 C ATOM 519 C PRO A 32 -3.562 -11.228 -7.287 1.00 32.34 C ATOM 520 O PRO A 32 -2.608 -11.866 -7.730 1.00 41.15 O ATOM 521 CB PRO A 32 -4.272 -8.808 -7.495 1.00 12.52 C ATOM 522 CG PRO A 32 -3.420 -8.455 -8.712 1.00 52.25 C ATOM 523 CD PRO A 32 -2.014 -8.411 -8.117 1.00 31.11 C ATOM 0 HA PRO A 32 -3.621 -9.866 -5.687 1.00 24.25 H new ATOM 0 HB2 PRO A 32 -5.225 -9.252 -7.781 1.00 12.52 H new ATOM 0 HB3 PRO A 32 -4.498 -7.931 -6.889 1.00 12.52 H new ATOM 0 HG2 PRO A 32 -3.506 -9.203 -9.500 1.00 52.25 H new ATOM 0 HG3 PRO A 32 -3.708 -7.498 -9.148 1.00 52.25 H new ATOM 0 HD2 PRO A 32 -1.271 -8.722 -8.851 1.00 31.11 H new ATOM 0 HD3 PRO A 32 -1.753 -7.399 -7.808 1.00 31.11 H new ATOM 531 N SER A 33 -4.814 -11.701 -7.255 1.00 72.31 N ATOM 532 CA SER A 33 -5.257 -13.016 -7.701 1.00 44.13 C ATOM 533 C SER A 33 -5.099 -13.256 -9.212 1.00 54.02 C ATOM 534 O SER A 33 -5.306 -14.381 -9.664 1.00 51.04 O ATOM 535 CB SER A 33 -6.728 -13.180 -7.299 1.00 64.24 C ATOM 536 OG SER A 33 -7.507 -12.138 -7.852 1.00 14.51 O ATOM 0 H SER A 33 -5.585 -11.139 -6.895 1.00 72.31 H new ATOM 0 HA SER A 33 -4.617 -13.756 -7.221 1.00 44.13 H new ATOM 0 HB2 SER A 33 -7.101 -14.144 -7.644 1.00 64.24 H new ATOM 0 HB3 SER A 33 -6.818 -13.173 -6.213 1.00 64.24 H new ATOM 0 HG SER A 33 -8.444 -12.255 -7.589 1.00 14.51 H new ATOM 542 N ASP A 34 -4.771 -12.221 -9.997 1.00 11.44 N ATOM 543 CA ASP A 34 -4.787 -12.270 -11.454 1.00 61.32 C ATOM 544 C ASP A 34 -3.465 -12.822 -12.000 1.00 13.44 C ATOM 545 O ASP A 34 -2.696 -12.092 -12.625 1.00 12.40 O ATOM 546 CB ASP A 34 -5.092 -10.867 -11.999 1.00 34.25 C ATOM 547 CG ASP A 34 -6.442 -10.351 -11.504 1.00 11.20 C ATOM 548 OD1 ASP A 34 -6.462 -9.775 -10.394 1.00 71.45 O ATOM 549 OD2 ASP A 34 -7.432 -10.547 -12.241 1.00 64.31 O ATOM 0 H ASP A 34 -4.484 -11.315 -9.626 1.00 11.44 H new ATOM 0 HA ASP A 34 -5.570 -12.951 -11.788 1.00 61.32 H new ATOM 0 HB2 ASP A 34 -4.305 -10.178 -11.693 1.00 34.25 H new ATOM 0 HB3 ASP A 34 -5.089 -10.891 -13.089 1.00 34.25 H new ATOM 554 N ILE A 35 -3.215 -14.118 -11.767 1.00 31.51 N ATOM 555 CA ILE A 35 -1.991 -14.807 -12.171 1.00 0.00 C ATOM 556 C ILE A 35 -2.200 -15.621 -13.447 1.00 12.03 C ATOM 557 O ILE A 35 -3.330 -15.940 -13.813 1.00 45.32 O ATOM 558 CB ILE A 35 -1.457 -15.666 -11.011 1.00 44.54 C ATOM 559 CG1 ILE A 35 -0.002 -16.101 -11.258 1.00 75.41 C ATOM 560 CG2 ILE A 35 -2.370 -16.872 -10.732 1.00 5.30 C ATOM 561 CD1 ILE A 35 0.737 -16.505 -9.981 1.00 53.05 C ATOM 0 H ILE A 35 -3.875 -14.726 -11.282 1.00 31.51 H new ATOM 0 HA ILE A 35 -1.234 -14.059 -12.406 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.463 -15.045 -10.116 1.00 44.54 H new ATOM 0 HG12 ILE A 35 0.005 -16.940 -11.954 1.00 75.41 H new ATOM 0 HG13 ILE A 35 0.537 -15.284 -11.738 1.00 75.41 H new ATOM 0 HG21 ILE A 35 -1.961 -17.455 -9.907 1.00 5.30 H new ATOM 0 HG22 ILE A 35 -3.367 -16.520 -10.468 1.00 5.30 H new ATOM 0 HG23 ILE A 35 -2.430 -17.497 -11.623 1.00 5.30 H new ATOM 0 HD11 ILE A 35 1.757 -16.800 -10.229 1.00 53.05 H new ATOM 0 HD12 ILE A 35 0.761 -15.661 -9.292 1.00 53.05 H new ATOM 0 HD13 ILE A 35 0.221 -17.342 -9.511 1.00 53.05 H new ATOM 573 N GLU A 36 -1.087 -15.956 -14.110 1.00 45.23 N ATOM 574 CA GLU A 36 -1.038 -16.723 -15.339 1.00 5.53 C ATOM 575 C GLU A 36 0.007 -17.826 -15.161 1.00 4.04 C ATOM 576 O GLU A 36 1.076 -17.789 -15.771 1.00 40.13 O ATOM 577 CB GLU A 36 -0.669 -15.775 -16.481 1.00 71.12 C ATOM 578 CG GLU A 36 -1.689 -14.649 -16.694 1.00 4.03 C ATOM 579 CD GLU A 36 -1.209 -13.682 -17.774 1.00 3.32 C ATOM 580 OE1 GLU A 36 -0.273 -12.912 -17.466 1.00 32.13 O ATOM 581 OE2 GLU A 36 -1.783 -13.731 -18.884 1.00 21.13 O ATOM 0 H GLU A 36 -0.161 -15.683 -13.782 1.00 45.23 H new ATOM 0 HA GLU A 36 -1.997 -17.184 -15.573 1.00 5.53 H new ATOM 0 HB2 GLU A 36 0.308 -15.336 -16.277 1.00 71.12 H new ATOM 0 HB3 GLU A 36 -0.575 -16.349 -17.403 1.00 71.12 H new ATOM 0 HG2 GLU A 36 -2.651 -15.073 -16.980 1.00 4.03 H new ATOM 0 HG3 GLU A 36 -1.844 -14.110 -15.759 1.00 4.03 H new ATOM 588 N VAL A 37 -0.309 -18.807 -14.306 1.00 43.21 N ATOM 589 CA VAL A 37 0.520 -19.990 -14.105 1.00 14.31 C ATOM 590 C VAL A 37 0.319 -20.920 -15.297 1.00 61.11 C ATOM 591 O VAL A 37 -0.464 -21.868 -15.246 1.00 13.34 O ATOM 592 CB VAL A 37 0.206 -20.695 -12.775 1.00 41.34 C ATOM 593 CG1 VAL A 37 1.187 -21.852 -12.526 1.00 3.22 C ATOM 594 CG2 VAL A 37 0.282 -19.721 -11.596 1.00 32.13 C ATOM 0 H VAL A 37 -1.153 -18.797 -13.734 1.00 43.21 H new ATOM 0 HA VAL A 37 1.567 -19.692 -14.042 1.00 14.31 H new ATOM 0 HB VAL A 37 -0.809 -21.084 -12.851 1.00 41.34 H new ATOM 0 HG11 VAL A 37 0.946 -22.336 -11.580 1.00 3.22 H new ATOM 0 HG12 VAL A 37 1.107 -22.577 -13.336 1.00 3.22 H new ATOM 0 HG13 VAL A 37 2.205 -21.464 -12.486 1.00 3.22 H new ATOM 0 HG21 VAL A 37 0.055 -20.251 -10.671 1.00 32.13 H new ATOM 0 HG22 VAL A 37 1.286 -19.300 -11.536 1.00 32.13 H new ATOM 0 HG23 VAL A 37 -0.440 -18.918 -11.741 1.00 32.13 H new ATOM 604 N ASP A 38 1.056 -20.634 -16.368 1.00 31.12 N ATOM 605 CA ASP A 38 1.140 -21.467 -17.553 1.00 3.22 C ATOM 606 C ASP A 38 2.167 -22.566 -17.298 1.00 2.23 C ATOM 607 O ASP A 38 2.835 -22.565 -16.266 1.00 21.25 O ATOM 608 CB ASP A 38 1.534 -20.599 -18.750 1.00 13.50 C ATOM 609 CG ASP A 38 0.505 -19.505 -19.023 1.00 44.03 C ATOM 610 OD1 ASP A 38 0.858 -18.324 -18.813 1.00 11.32 O ATOM 611 OD2 ASP A 38 -0.615 -19.870 -19.442 1.00 73.32 O ATOM 0 H ASP A 38 1.626 -19.790 -16.432 1.00 31.12 H new ATOM 0 HA ASP A 38 0.179 -21.931 -17.775 1.00 3.22 H new ATOM 0 HB2 ASP A 38 2.507 -20.144 -18.564 1.00 13.50 H new ATOM 0 HB3 ASP A 38 1.640 -21.227 -19.635 1.00 13.50 H new ATOM 616 N LEU A 39 2.277 -23.525 -18.223 1.00 40.12 N ATOM 617 CA LEU A 39 3.217 -24.627 -18.093 1.00 12.10 C ATOM 618 C LEU A 39 3.407 -25.356 -19.413 1.00 62.41 C ATOM 619 O LEU A 39 2.495 -25.425 -20.234 1.00 64.14 O ATOM 620 CB LEU A 39 2.796 -25.607 -16.994 1.00 14.25 C ATOM 621 CG LEU A 39 1.341 -26.079 -17.129 1.00 31.24 C ATOM 622 CD1 LEU A 39 1.279 -27.563 -16.776 1.00 20.15 C ATOM 623 CD2 LEU A 39 0.429 -25.298 -16.172 1.00 14.03 C ATOM 0 H LEU A 39 1.718 -23.554 -19.075 1.00 40.12 H new ATOM 0 HA LEU A 39 4.174 -24.192 -17.804 1.00 12.10 H new ATOM 0 HB2 LEU A 39 3.456 -26.474 -17.017 1.00 14.25 H new ATOM 0 HB3 LEU A 39 2.928 -25.132 -16.022 1.00 14.25 H new ATOM 0 HG LEU A 39 1.002 -25.910 -18.151 1.00 31.24 H new ATOM 0 HD11 LEU A 39 0.252 -27.916 -16.866 1.00 20.15 H new ATOM 0 HD12 LEU A 39 1.917 -28.126 -17.457 1.00 20.15 H new ATOM 0 HD13 LEU A 39 1.624 -27.708 -15.752 1.00 20.15 H new ATOM 0 HD21 LEU A 39 -0.598 -25.647 -16.282 1.00 14.03 H new ATOM 0 HD22 LEU A 39 0.758 -25.457 -15.145 1.00 14.03 H new ATOM 0 HD23 LEU A 39 0.479 -24.235 -16.408 1.00 14.03 H new ATOM 635 N LEU A 40 4.623 -25.882 -19.586 1.00 13.50 N ATOM 636 CA LEU A 40 5.123 -26.473 -20.812 1.00 5.42 C ATOM 637 C LEU A 40 5.873 -27.764 -20.485 1.00 33.13 C ATOM 638 O LEU A 40 6.381 -27.929 -19.374 1.00 31.41 O ATOM 639 CB LEU A 40 6.086 -25.487 -21.500 1.00 14.23 C ATOM 640 CG LEU A 40 5.532 -24.065 -21.705 1.00 35.22 C ATOM 641 CD1 LEU A 40 6.642 -23.167 -22.263 1.00 64.12 C ATOM 642 CD2 LEU A 40 4.333 -24.049 -22.659 1.00 32.35 C ATOM 0 H LEU A 40 5.312 -25.904 -18.834 1.00 13.50 H new ATOM 0 HA LEU A 40 4.287 -26.693 -21.476 1.00 5.42 H new ATOM 0 HB2 LEU A 40 6.999 -25.422 -20.908 1.00 14.23 H new ATOM 0 HB3 LEU A 40 6.365 -25.895 -22.472 1.00 14.23 H new ATOM 0 HG LEU A 40 5.191 -23.694 -20.738 1.00 35.22 H new ATOM 0 HD11 LEU A 40 6.255 -22.159 -22.410 1.00 64.12 H new ATOM 0 HD12 LEU A 40 7.474 -23.137 -21.559 1.00 64.12 H new ATOM 0 HD13 LEU A 40 6.987 -23.566 -23.217 1.00 64.12 H new ATOM 0 HD21 LEU A 40 3.974 -23.026 -22.775 1.00 32.35 H new ATOM 0 HD22 LEU A 40 4.636 -24.440 -23.630 1.00 32.35 H new ATOM 0 HD23 LEU A 40 3.535 -24.670 -22.251 1.00 32.35 H new ATOM 654 N LYS A 41 5.985 -28.650 -21.482 1.00 24.34 N ATOM 655 CA LYS A 41 6.952 -29.736 -21.493 1.00 43.34 C ATOM 656 C LYS A 41 7.621 -29.763 -22.865 1.00 34.24 C ATOM 657 O LYS A 41 7.016 -30.184 -23.848 1.00 4.53 O ATOM 658 CB LYS A 41 6.334 -31.075 -21.064 1.00 55.32 C ATOM 659 CG LYS A 41 5.118 -31.580 -21.848 1.00 14.21 C ATOM 660 CD LYS A 41 4.705 -32.950 -21.285 1.00 12.11 C ATOM 661 CE LYS A 41 3.402 -33.495 -21.884 1.00 12.04 C ATOM 662 NZ LYS A 41 3.412 -33.471 -23.358 1.00 40.21 N ATOM 0 H LYS A 41 5.394 -28.626 -22.313 1.00 24.34 H new ATOM 0 HA LYS A 41 7.723 -29.561 -20.743 1.00 43.34 H new ATOM 0 HB2 LYS A 41 7.111 -31.837 -21.122 1.00 55.32 H new ATOM 0 HB3 LYS A 41 6.047 -30.992 -20.016 1.00 55.32 H new ATOM 0 HG2 LYS A 41 4.293 -30.872 -21.764 1.00 14.21 H new ATOM 0 HG3 LYS A 41 5.359 -31.664 -22.908 1.00 14.21 H new ATOM 0 HD2 LYS A 41 5.506 -33.665 -21.469 1.00 12.11 H new ATOM 0 HD3 LYS A 41 4.592 -32.870 -20.204 1.00 12.11 H new ATOM 0 HE2 LYS A 41 3.246 -34.518 -21.540 1.00 12.04 H new ATOM 0 HE3 LYS A 41 2.562 -32.905 -21.519 1.00 12.04 H new ATOM 0 HZ1 LYS A 41 2.583 -33.985 -23.719 1.00 40.21 H new ATOM 0 HZ2 LYS A 41 3.380 -32.486 -23.689 1.00 40.21 H new ATOM 0 HZ3 LYS A 41 4.280 -33.926 -23.707 1.00 40.21 H new ATOM 676 N ASN A 42 8.852 -29.241 -22.931 1.00 11.43 N ATOM 677 CA ASN A 42 9.585 -28.992 -24.167 1.00 72.14 C ATOM 678 C ASN A 42 8.718 -28.231 -25.175 1.00 20.45 C ATOM 679 O ASN A 42 8.542 -28.661 -26.313 1.00 21.22 O ATOM 680 CB ASN A 42 10.157 -30.312 -24.704 1.00 5.45 C ATOM 681 CG ASN A 42 11.158 -30.110 -25.840 1.00 15.11 C ATOM 682 OD1 ASN A 42 10.853 -30.376 -27.001 1.00 53.01 O ATOM 683 ND2 ASN A 42 12.368 -29.655 -25.504 1.00 33.21 N ATOM 0 H ASN A 42 9.376 -28.974 -22.098 1.00 11.43 H new ATOM 0 HA ASN A 42 10.436 -28.340 -23.971 1.00 72.14 H new ATOM 0 HB2 ASN A 42 10.643 -30.849 -23.890 1.00 5.45 H new ATOM 0 HB3 ASN A 42 9.338 -30.940 -25.056 1.00 5.45 H new ATOM 0 HD21 ASN A 42 13.078 -29.517 -26.223 1.00 33.21 H new ATOM 0 HD22 ASN A 42 12.582 -29.446 -24.529 1.00 33.21 H new ATOM 690 N GLY A 43 8.159 -27.098 -24.730 1.00 12.10 N ATOM 691 CA GLY A 43 7.325 -26.232 -25.547 1.00 53.04 C ATOM 692 C GLY A 43 5.859 -26.673 -25.601 1.00 1.04 C ATOM 693 O GLY A 43 5.003 -25.849 -25.919 1.00 51.22 O ATOM 0 H GLY A 43 8.281 -26.759 -23.776 1.00 12.10 H new ATOM 0 HA2 GLY A 43 7.377 -25.216 -25.156 1.00 53.04 H new ATOM 0 HA3 GLY A 43 7.726 -26.204 -26.560 1.00 53.04 H new ATOM 697 N GLU A 44 5.553 -27.948 -25.313 1.00 64.23 N ATOM 698 CA GLU A 44 4.211 -28.486 -25.478 1.00 54.41 C ATOM 699 C GLU A 44 3.326 -28.060 -24.311 1.00 40.15 C ATOM 700 O GLU A 44 3.523 -28.508 -23.182 1.00 44.04 O ATOM 701 CB GLU A 44 4.245 -30.014 -25.613 1.00 74.53 C ATOM 702 CG GLU A 44 5.222 -30.500 -26.692 1.00 13.52 C ATOM 703 CD GLU A 44 4.930 -29.872 -28.052 1.00 54.52 C ATOM 704 OE1 GLU A 44 5.811 -29.132 -28.541 1.00 24.22 O ATOM 705 OE2 GLU A 44 3.822 -30.127 -28.570 1.00 14.10 O ATOM 0 H GLU A 44 6.231 -28.624 -24.962 1.00 64.23 H new ATOM 0 HA GLU A 44 3.787 -28.082 -26.398 1.00 54.41 H new ATOM 0 HB2 GLU A 44 4.524 -30.452 -24.655 1.00 74.53 H new ATOM 0 HB3 GLU A 44 3.244 -30.375 -25.849 1.00 74.53 H new ATOM 0 HG2 GLU A 44 6.242 -30.259 -26.393 1.00 13.52 H new ATOM 0 HG3 GLU A 44 5.162 -31.585 -26.773 1.00 13.52 H new ATOM 712 N ARG A 45 2.342 -27.202 -24.600 1.00 0.14 N ATOM 713 CA ARG A 45 1.332 -26.761 -23.652 1.00 1.42 C ATOM 714 C ARG A 45 0.483 -27.964 -23.246 1.00 14.42 C ATOM 715 O ARG A 45 -0.085 -28.632 -24.110 1.00 22.14 O ATOM 716 CB ARG A 45 0.462 -25.679 -24.306 1.00 64.34 C ATOM 717 CG ARG A 45 1.280 -24.433 -24.677 1.00 62.31 C ATOM 718 CD ARG A 45 0.459 -23.464 -25.534 1.00 1.22 C ATOM 719 NE ARG A 45 0.140 -24.050 -26.843 1.00 2.11 N ATOM 720 CZ ARG A 45 -0.677 -23.505 -27.760 1.00 54.21 C ATOM 721 NH1 ARG A 45 -1.269 -22.322 -27.540 1.00 2.22 N ATOM 722 NH2 ARG A 45 -0.900 -24.151 -28.913 1.00 4.34 N ATOM 0 H ARG A 45 2.229 -26.789 -25.526 1.00 0.14 H new ATOM 0 HA ARG A 45 1.800 -26.339 -22.763 1.00 1.42 H new ATOM 0 HB2 ARG A 45 -0.009 -26.084 -25.202 1.00 64.34 H new ATOM 0 HB3 ARG A 45 -0.340 -25.397 -23.624 1.00 64.34 H new ATOM 0 HG2 ARG A 45 1.611 -23.929 -23.769 1.00 62.31 H new ATOM 0 HG3 ARG A 45 2.177 -24.732 -25.220 1.00 62.31 H new ATOM 0 HD2 ARG A 45 -0.464 -23.207 -25.014 1.00 1.22 H new ATOM 0 HD3 ARG A 45 1.015 -22.537 -25.674 1.00 1.22 H new ATOM 0 HE ARG A 45 0.574 -24.943 -27.075 1.00 2.11 H new ATOM 0 HH11 ARG A 45 -1.102 -21.823 -26.667 1.00 2.22 H new ATOM 0 HH12 ARG A 45 -1.887 -21.922 -28.246 1.00 2.22 H new ATOM 0 HH21 ARG A 45 -0.451 -25.050 -29.089 1.00 4.34 H new ATOM 0 HH22 ARG A 45 -1.519 -23.744 -29.614 1.00 4.34 H new ATOM 736 N ILE A 46 0.420 -28.256 -21.942 1.00 33.34 N ATOM 737 CA ILE A 46 -0.318 -29.398 -21.422 1.00 55.01 C ATOM 738 C ILE A 46 -1.747 -28.946 -21.131 1.00 42.32 C ATOM 739 O ILE A 46 -1.971 -28.195 -20.182 1.00 3.20 O ATOM 740 CB ILE A 46 0.360 -29.976 -20.164 1.00 23.20 C ATOM 741 CG1 ILE A 46 1.875 -30.130 -20.375 1.00 1.34 C ATOM 742 CG2 ILE A 46 -0.289 -31.332 -19.839 1.00 34.12 C ATOM 743 CD1 ILE A 46 2.554 -30.786 -19.172 1.00 20.45 C ATOM 0 H ILE A 46 0.883 -27.702 -21.221 1.00 33.34 H new ATOM 0 HA ILE A 46 -0.330 -30.200 -22.160 1.00 55.01 H new ATOM 0 HB ILE A 46 0.221 -29.292 -19.327 1.00 23.20 H new ATOM 0 HG12 ILE A 46 2.058 -30.729 -21.267 1.00 1.34 H new ATOM 0 HG13 ILE A 46 2.318 -29.150 -20.553 1.00 1.34 H new ATOM 0 HG21 ILE A 46 0.179 -31.756 -18.951 1.00 34.12 H new ATOM 0 HG22 ILE A 46 -1.354 -31.191 -19.656 1.00 34.12 H new ATOM 0 HG23 ILE A 46 -0.153 -32.012 -20.680 1.00 34.12 H new ATOM 0 HD11 ILE A 46 3.623 -30.876 -19.362 1.00 20.45 H new ATOM 0 HD12 ILE A 46 2.394 -30.173 -18.285 1.00 20.45 H new ATOM 0 HD13 ILE A 46 2.130 -31.777 -19.010 1.00 20.45 H new ATOM 755 N GLU A 47 -2.708 -29.416 -21.936 1.00 25.41 N ATOM 756 CA GLU A 47 -4.123 -29.120 -21.756 1.00 44.22 C ATOM 757 C GLU A 47 -4.727 -30.094 -20.738 1.00 14.33 C ATOM 758 O GLU A 47 -5.670 -30.825 -21.036 1.00 31.32 O ATOM 759 CB GLU A 47 -4.849 -29.154 -23.113 1.00 23.23 C ATOM 760 CG GLU A 47 -4.659 -27.866 -23.927 1.00 12.13 C ATOM 761 CD GLU A 47 -3.208 -27.605 -24.317 1.00 51.21 C ATOM 762 OE1 GLU A 47 -2.755 -28.248 -25.288 1.00 60.31 O ATOM 763 OE2 GLU A 47 -2.577 -26.766 -23.638 1.00 25.12 O ATOM 0 H GLU A 47 -2.517 -30.018 -22.737 1.00 25.41 H new ATOM 0 HA GLU A 47 -4.247 -28.113 -21.357 1.00 44.22 H new ATOM 0 HB2 GLU A 47 -4.484 -30.001 -23.693 1.00 23.23 H new ATOM 0 HB3 GLU A 47 -5.914 -29.318 -22.945 1.00 23.23 H new ATOM 0 HG2 GLU A 47 -5.266 -27.923 -24.831 1.00 12.13 H new ATOM 0 HG3 GLU A 47 -5.029 -27.021 -23.347 1.00 12.13 H new ATOM 770 N LYS A 48 -4.188 -30.070 -19.513 1.00 2.35 N ATOM 771 CA LYS A 48 -4.771 -30.716 -18.348 1.00 71.23 C ATOM 772 C LYS A 48 -4.227 -30.018 -17.100 1.00 64.13 C ATOM 773 O LYS A 48 -3.647 -30.653 -16.220 1.00 43.33 O ATOM 774 CB LYS A 48 -4.491 -32.230 -18.356 1.00 62.11 C ATOM 775 CG LYS A 48 -5.503 -32.948 -17.451 1.00 1.34 C ATOM 776 CD LYS A 48 -5.215 -34.447 -17.295 1.00 35.40 C ATOM 777 CE LYS A 48 -3.964 -34.762 -16.463 1.00 34.42 C ATOM 778 NZ LYS A 48 -4.010 -34.174 -15.112 1.00 34.34 N ATOM 0 H LYS A 48 -3.313 -29.587 -19.308 1.00 2.35 H new ATOM 0 HA LYS A 48 -5.857 -30.620 -18.359 1.00 71.23 H new ATOM 0 HB2 LYS A 48 -4.559 -32.617 -19.373 1.00 62.11 H new ATOM 0 HB3 LYS A 48 -3.476 -32.424 -18.009 1.00 62.11 H new ATOM 0 HG2 LYS A 48 -5.498 -32.479 -16.467 1.00 1.34 H new ATOM 0 HG3 LYS A 48 -6.504 -32.817 -17.861 1.00 1.34 H new ATOM 0 HD2 LYS A 48 -6.077 -34.925 -16.830 1.00 35.40 H new ATOM 0 HD3 LYS A 48 -5.101 -34.889 -18.285 1.00 35.40 H new ATOM 0 HE2 LYS A 48 -3.852 -35.843 -16.380 1.00 34.42 H new ATOM 0 HE3 LYS A 48 -3.083 -34.390 -16.986 1.00 34.42 H new ATOM 0 HZ1 LYS A 48 -3.459 -34.765 -14.457 1.00 34.34 H new ATOM 0 HZ2 LYS A 48 -3.606 -33.216 -15.136 1.00 34.34 H new ATOM 0 HZ3 LYS A 48 -4.997 -34.125 -14.788 1.00 34.34 H new ATOM 792 N VAL A 49 -4.408 -28.693 -17.043 1.00 11.31 N ATOM 793 CA VAL A 49 -3.996 -27.871 -15.918 1.00 5.33 C ATOM 794 C VAL A 49 -5.087 -27.959 -14.853 1.00 4.13 C ATOM 795 O VAL A 49 -6.246 -27.658 -15.136 1.00 13.31 O ATOM 796 CB VAL A 49 -3.806 -26.411 -16.361 1.00 24.45 C ATOM 797 CG1 VAL A 49 -3.281 -25.557 -15.197 1.00 1.14 C ATOM 798 CG2 VAL A 49 -2.866 -26.322 -17.569 1.00 21.11 C ATOM 0 H VAL A 49 -4.852 -28.162 -17.792 1.00 11.31 H new ATOM 0 HA VAL A 49 -3.045 -28.226 -15.521 1.00 5.33 H new ATOM 0 HB VAL A 49 -4.777 -26.019 -16.662 1.00 24.45 H new ATOM 0 HG11 VAL A 49 -3.153 -24.527 -15.530 1.00 1.14 H new ATOM 0 HG12 VAL A 49 -3.995 -25.586 -14.374 1.00 1.14 H new ATOM 0 HG13 VAL A 49 -2.322 -25.951 -14.860 1.00 1.14 H new ATOM 0 HG21 VAL A 49 -2.748 -25.279 -17.862 1.00 21.11 H new ATOM 0 HG22 VAL A 49 -1.893 -26.736 -17.304 1.00 21.11 H new ATOM 0 HG23 VAL A 49 -3.287 -26.887 -18.400 1.00 21.11 H new ATOM 808 N GLU A 50 -4.712 -28.366 -13.638 1.00 44.43 N ATOM 809 CA GLU A 50 -5.626 -28.489 -12.510 1.00 43.22 C ATOM 810 C GLU A 50 -5.457 -27.282 -11.582 1.00 44.03 C ATOM 811 O GLU A 50 -4.653 -26.392 -11.854 1.00 4.25 O ATOM 812 CB GLU A 50 -5.379 -29.828 -11.800 1.00 13.40 C ATOM 813 CG GLU A 50 -5.570 -31.002 -12.773 1.00 20.40 C ATOM 814 CD GLU A 50 -5.529 -32.353 -12.064 1.00 4.30 C ATOM 815 OE1 GLU A 50 -4.592 -33.124 -12.360 1.00 13.15 O ATOM 816 OE2 GLU A 50 -6.451 -32.603 -11.258 1.00 53.24 O ATOM 0 H GLU A 50 -3.751 -28.622 -13.411 1.00 44.43 H new ATOM 0 HA GLU A 50 -6.662 -28.489 -12.849 1.00 43.22 H new ATOM 0 HB2 GLU A 50 -4.368 -29.848 -11.392 1.00 13.40 H new ATOM 0 HB3 GLU A 50 -6.064 -29.931 -10.959 1.00 13.40 H new ATOM 0 HG2 GLU A 50 -6.525 -30.893 -13.288 1.00 20.40 H new ATOM 0 HG3 GLU A 50 -4.791 -30.970 -13.535 1.00 20.40 H new ATOM 823 N HIS A 51 -6.236 -27.241 -10.497 1.00 62.14 N ATOM 824 CA HIS A 51 -6.204 -26.180 -9.499 1.00 24.45 C ATOM 825 C HIS A 51 -6.729 -26.730 -8.171 1.00 4.00 C ATOM 826 O HIS A 51 -7.341 -27.798 -8.142 1.00 3.52 O ATOM 827 CB HIS A 51 -7.034 -24.980 -9.972 1.00 60.21 C ATOM 828 CG HIS A 51 -8.479 -25.323 -10.225 1.00 60.41 C ATOM 829 ND1 HIS A 51 -9.469 -25.125 -9.276 1.00 63.41 N ATOM 830 CD2 HIS A 51 -9.112 -25.898 -11.301 1.00 54.05 C ATOM 831 CE1 HIS A 51 -10.619 -25.576 -9.805 1.00 11.20 C ATOM 832 NE2 HIS A 51 -10.469 -26.060 -11.040 1.00 20.10 N ATOM 0 H HIS A 51 -6.922 -27.966 -10.288 1.00 62.14 H new ATOM 0 HA HIS A 51 -5.180 -25.835 -9.357 1.00 24.45 H new ATOM 0 HB2 HIS A 51 -6.980 -24.191 -9.222 1.00 60.21 H new ATOM 0 HB3 HIS A 51 -6.596 -24.581 -10.887 1.00 60.21 H new ATOM 0 HD2 HIS A 51 -8.624 -26.184 -12.221 1.00 54.05 H new ATOM 0 HE1 HIS A 51 -11.565 -25.550 -9.285 1.00 11.20 H new ATOM 0 HE2 HIS A 51 -11.183 -26.457 -11.651 1.00 20.10 H new ATOM 840 N SER A 52 -6.510 -25.987 -7.080 1.00 11.10 N ATOM 841 CA SER A 52 -7.055 -26.307 -5.764 1.00 2.01 C ATOM 842 C SER A 52 -7.561 -25.033 -5.081 1.00 32.44 C ATOM 843 O SER A 52 -7.261 -24.792 -3.913 1.00 74.32 O ATOM 844 CB SER A 52 -5.998 -27.051 -4.938 1.00 35.33 C ATOM 845 OG SER A 52 -6.559 -27.553 -3.743 1.00 0.23 O ATOM 0 H SER A 52 -5.943 -25.139 -7.090 1.00 11.10 H new ATOM 0 HA SER A 52 -7.914 -26.971 -5.861 1.00 2.01 H new ATOM 0 HB2 SER A 52 -5.583 -27.872 -5.524 1.00 35.33 H new ATOM 0 HB3 SER A 52 -5.173 -26.378 -4.704 1.00 35.33 H new ATOM 0 HG SER A 52 -6.985 -26.822 -3.249 1.00 0.23 H new ATOM 851 N ASP A 53 -8.349 -24.239 -5.823 1.00 5.21 N ATOM 852 CA ASP A 53 -9.072 -23.058 -5.359 1.00 4.42 C ATOM 853 C ASP A 53 -8.148 -21.906 -4.938 1.00 14.20 C ATOM 854 O ASP A 53 -7.015 -22.123 -4.512 1.00 73.45 O ATOM 855 CB ASP A 53 -10.067 -23.440 -4.250 1.00 41.34 C ATOM 856 CG ASP A 53 -10.958 -22.265 -3.855 1.00 72.54 C ATOM 857 OD1 ASP A 53 -10.744 -21.733 -2.744 1.00 65.34 O ATOM 858 OD2 ASP A 53 -11.825 -21.909 -4.682 1.00 24.41 O ATOM 0 H ASP A 53 -8.503 -24.419 -6.815 1.00 5.21 H new ATOM 0 HA ASP A 53 -9.636 -22.673 -6.209 1.00 4.42 H new ATOM 0 HB2 ASP A 53 -10.688 -24.269 -4.589 1.00 41.34 H new ATOM 0 HB3 ASP A 53 -9.519 -23.790 -3.375 1.00 41.34 H new ATOM 863 N LEU A 54 -8.656 -20.670 -5.040 1.00 54.04 N ATOM 864 CA LEU A 54 -8.011 -19.478 -4.509 1.00 3.15 C ATOM 865 C LEU A 54 -8.172 -19.484 -2.984 1.00 54.34 C ATOM 866 O LEU A 54 -9.019 -18.785 -2.430 1.00 72.45 O ATOM 867 CB LEU A 54 -8.639 -18.232 -5.151 1.00 51.54 C ATOM 868 CG LEU A 54 -7.848 -16.961 -4.800 1.00 32.35 C ATOM 869 CD1 LEU A 54 -6.711 -16.732 -5.805 1.00 43.23 C ATOM 870 CD2 LEU A 54 -8.780 -15.746 -4.809 1.00 0.34 C ATOM 0 H LEU A 54 -9.543 -20.475 -5.504 1.00 54.04 H new ATOM 0 HA LEU A 54 -6.947 -19.465 -4.744 1.00 3.15 H new ATOM 0 HB2 LEU A 54 -8.671 -18.355 -6.234 1.00 51.54 H new ATOM 0 HB3 LEU A 54 -9.670 -18.126 -4.812 1.00 51.54 H new ATOM 0 HG LEU A 54 -7.421 -17.091 -3.806 1.00 32.35 H new ATOM 0 HD11 LEU A 54 -6.165 -15.827 -5.537 1.00 43.23 H new ATOM 0 HD12 LEU A 54 -6.032 -17.584 -5.787 1.00 43.23 H new ATOM 0 HD13 LEU A 54 -7.127 -16.621 -6.806 1.00 43.23 H new ATOM 0 HD21 LEU A 54 -8.212 -14.850 -4.559 1.00 0.34 H new ATOM 0 HD22 LEU A 54 -9.220 -15.632 -5.800 1.00 0.34 H new ATOM 0 HD23 LEU A 54 -9.572 -15.890 -4.074 1.00 0.34 H new ATOM 882 N SER A 55 -7.362 -20.310 -2.317 1.00 12.40 N ATOM 883 CA SER A 55 -7.501 -20.623 -0.904 1.00 2.35 C ATOM 884 C SER A 55 -6.646 -19.666 -0.078 1.00 2.15 C ATOM 885 O SER A 55 -5.501 -19.394 -0.430 1.00 74.34 O ATOM 886 CB SER A 55 -7.105 -22.082 -0.660 1.00 72.24 C ATOM 887 OG SER A 55 -7.930 -22.951 -1.406 1.00 44.51 O ATOM 0 H SER A 55 -6.576 -20.787 -2.759 1.00 12.40 H new ATOM 0 HA SER A 55 -8.539 -20.498 -0.596 1.00 2.35 H new ATOM 0 HB2 SER A 55 -6.062 -22.233 -0.939 1.00 72.24 H new ATOM 0 HB3 SER A 55 -7.188 -22.315 0.402 1.00 72.24 H new ATOM 0 HG SER A 55 -7.404 -23.368 -2.120 1.00 44.51 H new ATOM 893 N PHE A 56 -7.218 -19.148 1.012 1.00 35.40 N ATOM 894 CA PHE A 56 -6.608 -18.132 1.855 1.00 34.25 C ATOM 895 C PHE A 56 -5.843 -18.804 2.994 1.00 75.32 C ATOM 896 O PHE A 56 -6.448 -19.488 3.818 1.00 12.22 O ATOM 897 CB PHE A 56 -7.706 -17.208 2.394 1.00 51.52 C ATOM 898 CG PHE A 56 -8.520 -16.539 1.304 1.00 11.54 C ATOM 899 CD1 PHE A 56 -9.699 -17.149 0.836 1.00 13.02 C ATOM 900 CD2 PHE A 56 -8.041 -15.374 0.676 1.00 1.12 C ATOM 901 CE1 PHE A 56 -10.377 -16.618 -0.275 1.00 13.04 C ATOM 902 CE2 PHE A 56 -8.727 -14.835 -0.427 1.00 60.23 C ATOM 903 CZ PHE A 56 -9.886 -15.465 -0.911 1.00 22.23 C ATOM 0 H PHE A 56 -8.142 -19.435 1.336 1.00 35.40 H new ATOM 0 HA PHE A 56 -5.901 -17.535 1.279 1.00 34.25 H new ATOM 0 HB2 PHE A 56 -8.374 -17.785 3.034 1.00 51.52 H new ATOM 0 HB3 PHE A 56 -7.250 -16.440 3.019 1.00 51.52 H new ATOM 0 HD1 PHE A 56 -10.084 -18.028 1.332 1.00 13.02 H new ATOM 0 HD2 PHE A 56 -7.146 -14.893 1.042 1.00 1.12 H new ATOM 0 HE1 PHE A 56 -11.274 -17.096 -0.639 1.00 13.04 H new ATOM 0 HE2 PHE A 56 -8.363 -13.936 -0.902 1.00 60.23 H new ATOM 0 HZ PHE A 56 -10.400 -15.063 -1.772 1.00 22.23 H new ATOM 913 N SER A 57 -4.518 -18.606 3.044 1.00 51.01 N ATOM 914 CA SER A 57 -3.669 -19.118 4.114 1.00 44.04 C ATOM 915 C SER A 57 -4.136 -18.558 5.460 1.00 3.05 C ATOM 916 O SER A 57 -4.471 -19.314 6.370 1.00 4.12 O ATOM 917 CB SER A 57 -2.213 -18.720 3.852 1.00 44.02 C ATOM 918 OG SER A 57 -1.745 -19.288 2.648 1.00 42.15 O ATOM 0 H SER A 57 -4.007 -18.081 2.334 1.00 51.01 H new ATOM 0 HA SER A 57 -3.739 -20.205 4.142 1.00 44.04 H new ATOM 0 HB2 SER A 57 -2.132 -17.634 3.802 1.00 44.02 H new ATOM 0 HB3 SER A 57 -1.587 -19.049 4.681 1.00 44.02 H new ATOM 0 HG SER A 57 -1.174 -18.642 2.182 1.00 42.15 H new ATOM 924 N LYS A 58 -4.169 -17.226 5.557 1.00 33.35 N ATOM 925 CA LYS A 58 -4.701 -16.477 6.686 1.00 72.45 C ATOM 926 C LYS A 58 -5.134 -15.093 6.190 1.00 33.22 C ATOM 927 O LYS A 58 -4.869 -14.081 6.837 1.00 23.40 O ATOM 928 CB LYS A 58 -3.666 -16.423 7.825 1.00 64.52 C ATOM 929 CG LYS A 58 -2.301 -15.868 7.384 1.00 21.42 C ATOM 930 CD LYS A 58 -1.270 -15.876 8.521 1.00 5.13 C ATOM 931 CE LYS A 58 -1.609 -14.885 9.641 1.00 1.50 C ATOM 932 NZ LYS A 58 -0.510 -14.789 10.617 1.00 54.03 N ATOM 0 H LYS A 58 -3.810 -16.621 4.819 1.00 33.35 H new ATOM 0 HA LYS A 58 -5.579 -16.969 7.104 1.00 72.45 H new ATOM 0 HB2 LYS A 58 -4.058 -15.805 8.633 1.00 64.52 H new ATOM 0 HB3 LYS A 58 -3.529 -17.426 8.229 1.00 64.52 H new ATOM 0 HG2 LYS A 58 -1.923 -16.460 6.551 1.00 21.42 H new ATOM 0 HG3 LYS A 58 -2.427 -14.849 7.019 1.00 21.42 H new ATOM 0 HD2 LYS A 58 -1.205 -16.881 8.939 1.00 5.13 H new ATOM 0 HD3 LYS A 58 -0.287 -15.636 8.115 1.00 5.13 H new ATOM 0 HE2 LYS A 58 -1.806 -13.902 9.213 1.00 1.50 H new ATOM 0 HE3 LYS A 58 -2.521 -15.201 10.146 1.00 1.50 H new ATOM 0 HZ1 LYS A 58 -0.767 -14.112 11.363 1.00 54.03 H new ATOM 0 HZ2 LYS A 58 -0.340 -15.723 11.041 1.00 54.03 H new ATOM 0 HZ3 LYS A 58 0.353 -14.464 10.137 1.00 54.03 H new ATOM 946 N ASP A 59 -5.783 -15.066 5.016 1.00 4.10 N ATOM 947 CA ASP A 59 -6.158 -13.865 4.280 1.00 11.14 C ATOM 948 C ASP A 59 -4.947 -12.948 4.084 1.00 73.32 C ATOM 949 O ASP A 59 -4.989 -11.763 4.411 1.00 20.31 O ATOM 950 CB ASP A 59 -7.357 -13.176 4.949 1.00 4.03 C ATOM 951 CG ASP A 59 -8.544 -14.129 5.079 1.00 21.32 C ATOM 952 OD1 ASP A 59 -9.137 -14.449 4.026 1.00 35.14 O ATOM 953 OD2 ASP A 59 -8.828 -14.535 6.228 1.00 54.33 O ATOM 0 H ASP A 59 -6.070 -15.921 4.539 1.00 4.10 H new ATOM 0 HA ASP A 59 -6.488 -14.140 3.278 1.00 11.14 H new ATOM 0 HB2 ASP A 59 -7.068 -12.816 5.936 1.00 4.03 H new ATOM 0 HB3 ASP A 59 -7.650 -12.304 4.365 1.00 4.03 H new ATOM 958 N GLY A 60 -3.861 -13.524 3.551 1.00 54.04 N ATOM 959 CA GLY A 60 -2.589 -12.847 3.337 1.00 40.45 C ATOM 960 C GLY A 60 -1.742 -13.490 2.232 1.00 42.24 C ATOM 961 O GLY A 60 -0.754 -12.892 1.810 1.00 31.14 O ATOM 0 H GLY A 60 -3.850 -14.499 3.251 1.00 54.04 H new ATOM 0 HA2 GLY A 60 -2.778 -11.804 3.081 1.00 40.45 H new ATOM 0 HA3 GLY A 60 -2.022 -12.849 4.268 1.00 40.45 H new ATOM 965 N SER A 61 -2.112 -14.690 1.762 1.00 24.20 N ATOM 966 CA SER A 61 -1.462 -15.362 0.647 1.00 25.54 C ATOM 967 C SER A 61 -2.444 -16.348 0.015 1.00 40.44 C ATOM 968 O SER A 61 -3.022 -17.184 0.710 1.00 12.31 O ATOM 969 CB SER A 61 -0.157 -16.039 1.090 1.00 62.11 C ATOM 970 OG SER A 61 -0.326 -16.802 2.263 1.00 43.53 O ATOM 0 H SER A 61 -2.886 -15.223 2.159 1.00 24.20 H new ATOM 0 HA SER A 61 -1.180 -14.628 -0.108 1.00 25.54 H new ATOM 0 HB2 SER A 61 0.207 -16.683 0.289 1.00 62.11 H new ATOM 0 HB3 SER A 61 0.606 -15.279 1.259 1.00 62.11 H new ATOM 0 HG SER A 61 0.527 -17.217 2.509 1.00 43.53 H new ATOM 976 N PHE A 62 -2.633 -16.222 -1.304 1.00 45.04 N ATOM 977 CA PHE A 62 -3.547 -17.046 -2.077 1.00 31.15 C ATOM 978 C PHE A 62 -2.788 -18.286 -2.540 1.00 31.24 C ATOM 979 O PHE A 62 -1.989 -18.193 -3.469 1.00 5.01 O ATOM 980 CB PHE A 62 -4.089 -16.249 -3.276 1.00 53.24 C ATOM 981 CG PHE A 62 -4.581 -14.840 -2.983 1.00 62.31 C ATOM 982 CD1 PHE A 62 -4.345 -13.818 -3.924 1.00 64.15 C ATOM 983 CD2 PHE A 62 -5.240 -14.534 -1.777 1.00 34.31 C ATOM 984 CE1 PHE A 62 -4.730 -12.496 -3.646 1.00 44.04 C ATOM 985 CE2 PHE A 62 -5.607 -13.207 -1.491 1.00 43.11 C ATOM 986 CZ PHE A 62 -5.365 -12.191 -2.431 1.00 21.44 C ATOM 0 H PHE A 62 -2.141 -15.528 -1.867 1.00 45.04 H new ATOM 0 HA PHE A 62 -4.401 -17.346 -1.469 1.00 31.15 H new ATOM 0 HB2 PHE A 62 -3.303 -16.187 -4.029 1.00 53.24 H new ATOM 0 HB3 PHE A 62 -4.910 -16.813 -3.718 1.00 53.24 H new ATOM 0 HD1 PHE A 62 -3.866 -14.052 -4.863 1.00 64.15 H new ATOM 0 HD2 PHE A 62 -5.464 -15.320 -1.071 1.00 34.31 H new ATOM 0 HE1 PHE A 62 -4.538 -11.715 -4.366 1.00 44.04 H new ATOM 0 HE2 PHE A 62 -6.075 -12.968 -0.548 1.00 43.11 H new ATOM 0 HZ PHE A 62 -5.667 -11.176 -2.219 1.00 21.44 H new ATOM 996 N TYR A 63 -2.990 -19.430 -1.874 1.00 71.53 N ATOM 997 CA TYR A 63 -2.255 -20.647 -2.186 1.00 62.21 C ATOM 998 C TYR A 63 -3.053 -21.560 -3.115 1.00 42.01 C ATOM 999 O TYR A 63 -4.106 -22.077 -2.744 1.00 73.12 O ATOM 1000 CB TYR A 63 -1.789 -21.358 -0.908 1.00 14.00 C ATOM 1001 CG TYR A 63 -2.850 -22.073 -0.087 1.00 75.51 C ATOM 1002 CD1 TYR A 63 -3.578 -21.375 0.892 1.00 42.31 C ATOM 1003 CD2 TYR A 63 -3.098 -23.445 -0.290 1.00 52.02 C ATOM 1004 CE1 TYR A 63 -4.530 -22.047 1.678 1.00 72.23 C ATOM 1005 CE2 TYR A 63 -4.067 -24.112 0.478 1.00 11.23 C ATOM 1006 CZ TYR A 63 -4.780 -23.414 1.468 1.00 0.23 C ATOM 1007 OH TYR A 63 -5.721 -24.056 2.222 1.00 22.14 O ATOM 0 H TYR A 63 -3.662 -19.531 -1.113 1.00 71.53 H new ATOM 0 HA TYR A 63 -1.354 -20.367 -2.732 1.00 62.21 H new ATOM 0 HB2 TYR A 63 -1.027 -22.087 -1.185 1.00 14.00 H new ATOM 0 HB3 TYR A 63 -1.306 -20.620 -0.267 1.00 14.00 H new ATOM 0 HD1 TYR A 63 -3.405 -20.319 1.041 1.00 42.31 H new ATOM 0 HD2 TYR A 63 -2.540 -23.987 -1.040 1.00 52.02 H new ATOM 0 HE1 TYR A 63 -5.070 -21.512 2.445 1.00 72.23 H new ATOM 0 HE2 TYR A 63 -4.264 -25.160 0.308 1.00 11.23 H new ATOM 0 HH TYR A 63 -5.772 -24.996 1.951 1.00 22.14 H new ATOM 1017 N LEU A 64 -2.533 -21.751 -4.330 1.00 11.33 N ATOM 1018 CA LEU A 64 -3.061 -22.685 -5.315 1.00 61.42 C ATOM 1019 C LEU A 64 -2.131 -23.889 -5.446 1.00 55.34 C ATOM 1020 O LEU A 64 -1.039 -23.911 -4.881 1.00 11.12 O ATOM 1021 CB LEU A 64 -3.214 -21.949 -6.653 1.00 34.21 C ATOM 1022 CG LEU A 64 -4.583 -21.248 -6.719 1.00 14.21 C ATOM 1023 CD1 LEU A 64 -4.422 -19.816 -7.205 1.00 14.31 C ATOM 1024 CD2 LEU A 64 -5.554 -22.029 -7.611 1.00 34.21 C ATOM 0 H LEU A 64 -1.711 -21.245 -4.660 1.00 11.33 H new ATOM 0 HA LEU A 64 -4.036 -23.057 -5.000 1.00 61.42 H new ATOM 0 HB2 LEU A 64 -2.416 -21.216 -6.767 1.00 34.21 H new ATOM 0 HB3 LEU A 64 -3.118 -22.655 -7.478 1.00 34.21 H new ATOM 0 HG LEU A 64 -5.006 -21.221 -5.715 1.00 14.21 H new ATOM 0 HD11 LEU A 64 -5.399 -19.334 -7.246 1.00 14.31 H new ATOM 0 HD12 LEU A 64 -3.776 -19.269 -6.518 1.00 14.31 H new ATOM 0 HD13 LEU A 64 -3.976 -19.817 -8.199 1.00 14.31 H new ATOM 0 HD21 LEU A 64 -6.514 -21.514 -7.642 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -5.146 -22.098 -8.620 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -5.693 -23.032 -7.207 1.00 34.21 H new ATOM 1036 N LEU A 65 -2.586 -24.881 -6.216 1.00 65.34 N ATOM 1037 CA LEU A 65 -1.841 -26.077 -6.562 1.00 71.44 C ATOM 1038 C LEU A 65 -2.178 -26.392 -8.017 1.00 33.31 C ATOM 1039 O LEU A 65 -3.255 -26.915 -8.292 1.00 32.23 O ATOM 1040 CB LEU A 65 -2.243 -27.216 -5.610 1.00 60.53 C ATOM 1041 CG LEU A 65 -1.447 -28.510 -5.834 1.00 43.21 C ATOM 1042 CD1 LEU A 65 -0.026 -28.396 -5.276 1.00 2.04 C ATOM 1043 CD2 LEU A 65 -2.162 -29.673 -5.137 1.00 32.21 C ATOM 0 H LEU A 65 -3.519 -24.865 -6.627 1.00 65.34 H new ATOM 0 HA LEU A 65 -0.764 -25.944 -6.458 1.00 71.44 H new ATOM 0 HB2 LEU A 65 -2.102 -26.886 -4.581 1.00 60.53 H new ATOM 0 HB3 LEU A 65 -3.305 -27.426 -5.735 1.00 60.53 H new ATOM 0 HG LEU A 65 -1.384 -28.686 -6.908 1.00 43.21 H new ATOM 0 HD11 LEU A 65 0.510 -29.329 -5.451 1.00 2.04 H new ATOM 0 HD12 LEU A 65 0.496 -27.579 -5.774 1.00 2.04 H new ATOM 0 HD13 LEU A 65 -0.070 -28.199 -4.205 1.00 2.04 H new ATOM 0 HD21 LEU A 65 -1.599 -30.593 -5.294 1.00 32.21 H new ATOM 0 HD22 LEU A 65 -2.232 -29.469 -4.069 1.00 32.21 H new ATOM 0 HD23 LEU A 65 -3.164 -29.785 -5.552 1.00 32.21 H new ATOM 1055 N TYR A 66 -1.278 -26.045 -8.944 1.00 25.14 N ATOM 1056 CA TYR A 66 -1.467 -26.261 -10.372 1.00 63.45 C ATOM 1057 C TYR A 66 -0.812 -27.586 -10.761 1.00 64.24 C ATOM 1058 O TYR A 66 0.292 -27.596 -11.306 1.00 1.10 O ATOM 1059 CB TYR A 66 -0.899 -25.071 -11.156 1.00 5.02 C ATOM 1060 CG TYR A 66 -1.668 -23.775 -10.974 1.00 20.40 C ATOM 1061 CD1 TYR A 66 -1.320 -22.880 -9.944 1.00 43.15 C ATOM 1062 CD2 TYR A 66 -2.678 -23.425 -11.891 1.00 1.30 C ATOM 1063 CE1 TYR A 66 -1.958 -21.631 -9.851 1.00 60.24 C ATOM 1064 CE2 TYR A 66 -3.314 -22.175 -11.798 1.00 60.52 C ATOM 1065 CZ TYR A 66 -2.940 -21.269 -10.790 1.00 52.31 C ATOM 1066 OH TYR A 66 -3.521 -20.036 -10.729 1.00 43.11 O ATOM 0 H TYR A 66 -0.389 -25.601 -8.715 1.00 25.14 H new ATOM 0 HA TYR A 66 -2.527 -26.326 -10.617 1.00 63.45 H new ATOM 0 HB2 TYR A 66 0.135 -24.911 -10.851 1.00 5.02 H new ATOM 0 HB3 TYR A 66 -0.884 -25.324 -12.216 1.00 5.02 H new ATOM 0 HD1 TYR A 66 -0.562 -23.154 -9.225 1.00 43.15 H new ATOM 0 HD2 TYR A 66 -2.965 -24.119 -12.668 1.00 1.30 H new ATOM 0 HE1 TYR A 66 -1.694 -20.948 -9.057 1.00 60.24 H new ATOM 0 HE2 TYR A 66 -4.090 -21.910 -12.501 1.00 60.52 H new ATOM 0 HH TYR A 66 -4.177 -19.948 -11.451 1.00 43.11 H new ATOM 1076 N TYR A 67 -1.490 -28.701 -10.449 1.00 33.40 N ATOM 1077 CA TYR A 67 -0.918 -30.035 -10.554 1.00 15.10 C ATOM 1078 C TYR A 67 -1.351 -30.741 -11.841 1.00 22.40 C ATOM 1079 O TYR A 67 -2.370 -31.425 -11.865 1.00 73.54 O ATOM 1080 CB TYR A 67 -1.177 -30.871 -9.284 1.00 12.43 C ATOM 1081 CG TYR A 67 -2.613 -31.271 -8.978 1.00 13.32 C ATOM 1082 CD1 TYR A 67 -3.534 -30.317 -8.513 1.00 71.14 C ATOM 1083 CD2 TYR A 67 -3.003 -32.622 -9.054 1.00 34.10 C ATOM 1084 CE1 TYR A 67 -4.859 -30.681 -8.230 1.00 71.32 C ATOM 1085 CE2 TYR A 67 -4.325 -32.994 -8.755 1.00 11.14 C ATOM 1086 CZ TYR A 67 -5.259 -32.021 -8.359 1.00 41.43 C ATOM 1087 OH TYR A 67 -6.548 -32.378 -8.090 1.00 41.34 O ATOM 0 H TYR A 67 -2.454 -28.693 -10.116 1.00 33.40 H new ATOM 0 HA TYR A 67 0.164 -29.924 -10.624 1.00 15.10 H new ATOM 0 HB2 TYR A 67 -0.584 -31.783 -9.356 1.00 12.43 H new ATOM 0 HB3 TYR A 67 -0.797 -30.310 -8.430 1.00 12.43 H new ATOM 0 HD1 TYR A 67 -3.219 -29.294 -8.372 1.00 71.14 H new ATOM 0 HD2 TYR A 67 -2.284 -33.374 -9.343 1.00 34.10 H new ATOM 0 HE1 TYR A 67 -5.570 -29.932 -7.914 1.00 71.32 H new ATOM 0 HE2 TYR A 67 -4.624 -34.029 -8.830 1.00 11.14 H new ATOM 0 HH TYR A 67 -7.009 -32.596 -8.927 1.00 41.34 H new ATOM 1097 N THR A 68 -0.554 -30.608 -12.909 1.00 4.30 N ATOM 1098 CA THR A 68 -0.779 -31.329 -14.160 1.00 14.01 C ATOM 1099 C THR A 68 -0.224 -32.755 -14.051 1.00 53.02 C ATOM 1100 O THR A 68 0.290 -33.128 -12.998 1.00 74.24 O ATOM 1101 CB THR A 68 -0.146 -30.541 -15.317 1.00 21.22 C ATOM 1102 OG1 THR A 68 -0.668 -30.989 -16.550 1.00 11.52 O ATOM 1103 CG2 THR A 68 1.384 -30.659 -15.325 1.00 4.43 C ATOM 0 H THR A 68 0.263 -29.997 -12.926 1.00 4.30 H new ATOM 0 HA THR A 68 -1.847 -31.417 -14.360 1.00 14.01 H new ATOM 0 HB THR A 68 -0.395 -29.490 -15.172 1.00 21.22 H new ATOM 0 HG1 THR A 68 -1.645 -30.918 -16.537 1.00 11.52 H new ATOM 0 HG21 THR A 68 1.789 -30.086 -16.160 1.00 4.43 H new ATOM 0 HG22 THR A 68 1.784 -30.269 -14.389 1.00 4.43 H new ATOM 0 HG23 THR A 68 1.668 -31.706 -15.432 1.00 4.43 H new ATOM 1111 N GLU A 69 -0.295 -33.529 -15.146 1.00 51.22 N ATOM 1112 CA GLU A 69 0.274 -34.870 -15.239 1.00 0.20 C ATOM 1113 C GLU A 69 1.167 -34.998 -16.474 1.00 15.25 C ATOM 1114 O GLU A 69 0.678 -35.216 -17.581 1.00 20.40 O ATOM 1115 CB GLU A 69 -0.839 -35.921 -15.229 1.00 3.31 C ATOM 1116 CG GLU A 69 -0.257 -37.336 -15.115 1.00 12.30 C ATOM 1117 CD GLU A 69 -1.340 -38.396 -14.930 1.00 42.14 C ATOM 1118 OE1 GLU A 69 -1.033 -39.405 -14.260 1.00 12.22 O ATOM 1119 OE2 GLU A 69 -2.452 -38.187 -15.464 1.00 20.53 O ATOM 0 H GLU A 69 -0.759 -33.229 -16.003 1.00 51.22 H new ATOM 0 HA GLU A 69 0.904 -35.046 -14.367 1.00 0.20 H new ATOM 0 HB2 GLU A 69 -1.514 -35.733 -14.394 1.00 3.31 H new ATOM 0 HB3 GLU A 69 -1.430 -35.839 -16.141 1.00 3.31 H new ATOM 0 HG2 GLU A 69 0.320 -37.562 -16.012 1.00 12.30 H new ATOM 0 HG3 GLU A 69 0.434 -37.375 -14.273 1.00 12.30 H new ATOM 1126 N PHE A 70 2.484 -34.884 -16.261 1.00 20.25 N ATOM 1127 CA PHE A 70 3.511 -35.031 -17.284 1.00 0.05 C ATOM 1128 C PHE A 70 4.120 -36.438 -17.245 1.00 51.24 C ATOM 1129 O PHE A 70 4.118 -37.092 -16.202 1.00 15.05 O ATOM 1130 CB PHE A 70 4.601 -33.969 -17.073 1.00 15.15 C ATOM 1131 CG PHE A 70 5.570 -34.257 -15.938 1.00 60.22 C ATOM 1132 CD1 PHE A 70 6.850 -34.767 -16.219 1.00 43.41 C ATOM 1133 CD2 PHE A 70 5.172 -34.095 -14.600 1.00 64.14 C ATOM 1134 CE1 PHE A 70 7.742 -35.060 -15.177 1.00 44.41 C ATOM 1135 CE2 PHE A 70 6.041 -34.449 -13.553 1.00 41.21 C ATOM 1136 CZ PHE A 70 7.326 -34.930 -13.842 1.00 34.23 C ATOM 0 H PHE A 70 2.870 -34.680 -15.339 1.00 20.25 H new ATOM 0 HA PHE A 70 3.056 -34.889 -18.264 1.00 0.05 H new ATOM 0 HB2 PHE A 70 5.169 -33.865 -17.997 1.00 15.15 H new ATOM 0 HB3 PHE A 70 4.120 -33.009 -16.885 1.00 15.15 H new ATOM 0 HD1 PHE A 70 7.148 -34.934 -17.244 1.00 43.41 H new ATOM 0 HD2 PHE A 70 4.194 -33.697 -14.375 1.00 64.14 H new ATOM 0 HE1 PHE A 70 8.747 -35.385 -15.401 1.00 44.41 H new ATOM 0 HE2 PHE A 70 5.719 -34.351 -12.527 1.00 41.21 H new ATOM 0 HZ PHE A 70 7.995 -35.200 -13.039 1.00 34.23 H new ATOM 1146 N THR A 71 4.689 -36.879 -18.372 1.00 52.15 N ATOM 1147 CA THR A 71 5.512 -38.080 -18.444 1.00 25.44 C ATOM 1148 C THR A 71 6.973 -37.664 -18.227 1.00 34.43 C ATOM 1149 O THR A 71 7.451 -36.807 -18.969 1.00 15.11 O ATOM 1150 CB THR A 71 5.348 -38.734 -19.823 1.00 71.43 C ATOM 1151 OG1 THR A 71 3.979 -38.966 -20.086 1.00 22.30 O ATOM 1152 CG2 THR A 71 6.102 -40.068 -19.879 1.00 13.24 C ATOM 0 H THR A 71 4.587 -36.402 -19.268 1.00 52.15 H new ATOM 0 HA THR A 71 5.210 -38.800 -17.683 1.00 25.44 H new ATOM 0 HB THR A 71 5.759 -38.059 -20.573 1.00 71.43 H new ATOM 0 HG1 THR A 71 3.881 -39.382 -20.968 1.00 22.30 H new ATOM 0 HG21 THR A 71 5.974 -40.517 -20.864 1.00 13.24 H new ATOM 0 HG22 THR A 71 7.162 -39.895 -19.694 1.00 13.24 H new ATOM 0 HG23 THR A 71 5.706 -40.742 -19.119 1.00 13.24 H new ATOM 1160 N PRO A 72 7.706 -38.252 -17.264 1.00 21.10 N ATOM 1161 CA PRO A 72 9.120 -37.989 -17.064 1.00 33.41 C ATOM 1162 C PRO A 72 9.915 -38.801 -18.092 1.00 21.43 C ATOM 1163 O PRO A 72 10.576 -39.779 -17.748 1.00 32.12 O ATOM 1164 CB PRO A 72 9.398 -38.410 -15.619 1.00 40.34 C ATOM 1165 CG PRO A 72 8.434 -39.573 -15.403 1.00 14.00 C ATOM 1166 CD PRO A 72 7.246 -39.257 -16.322 1.00 31.10 C ATOM 0 HA PRO A 72 9.409 -36.948 -17.207 1.00 33.41 H new ATOM 0 HB2 PRO A 72 10.435 -38.716 -15.481 1.00 40.34 H new ATOM 0 HB3 PRO A 72 9.210 -37.596 -14.919 1.00 40.34 H new ATOM 0 HG2 PRO A 72 8.896 -40.526 -15.663 1.00 14.00 H new ATOM 0 HG3 PRO A 72 8.123 -39.643 -14.361 1.00 14.00 H new ATOM 0 HD2 PRO A 72 6.911 -40.153 -16.844 1.00 31.10 H new ATOM 0 HD3 PRO A 72 6.398 -38.888 -15.746 1.00 31.10 H new ATOM 1174 N THR A 73 9.838 -38.379 -19.360 1.00 25.14 N ATOM 1175 CA THR A 73 10.505 -38.991 -20.504 1.00 64.11 C ATOM 1176 C THR A 73 12.017 -39.104 -20.271 1.00 4.30 C ATOM 1177 O THR A 73 12.643 -40.039 -20.766 1.00 14.01 O ATOM 1178 CB THR A 73 10.194 -38.167 -21.768 1.00 44.52 C ATOM 1179 OG1 THR A 73 8.810 -37.886 -21.828 1.00 12.34 O ATOM 1180 CG2 THR A 73 10.594 -38.894 -23.057 1.00 52.11 C ATOM 0 H THR A 73 9.283 -37.565 -19.623 1.00 25.14 H new ATOM 0 HA THR A 73 10.129 -40.005 -20.637 1.00 64.11 H new ATOM 0 HB THR A 73 10.778 -37.250 -21.697 1.00 44.52 H new ATOM 0 HG1 THR A 73 8.617 -37.360 -22.632 1.00 12.34 H new ATOM 0 HG21 THR A 73 10.353 -38.269 -23.917 1.00 52.11 H new ATOM 0 HG22 THR A 73 11.665 -39.095 -23.044 1.00 52.11 H new ATOM 0 HG23 THR A 73 10.049 -39.835 -23.128 1.00 52.11 H new ATOM 1188 N GLU A 74 12.584 -38.155 -19.512 1.00 11.21 N ATOM 1189 CA GLU A 74 13.998 -38.066 -19.178 1.00 14.50 C ATOM 1190 C GLU A 74 14.793 -37.788 -20.452 1.00 55.21 C ATOM 1191 O GLU A 74 15.615 -38.587 -20.897 1.00 20.33 O ATOM 1192 CB GLU A 74 14.461 -39.300 -18.388 1.00 55.42 C ATOM 1193 CG GLU A 74 15.794 -39.032 -17.676 1.00 53.02 C ATOM 1194 CD GLU A 74 16.239 -40.211 -16.811 1.00 32.14 C ATOM 1195 OE1 GLU A 74 15.924 -41.360 -17.191 1.00 12.25 O ATOM 1196 OE2 GLU A 74 16.898 -39.941 -15.782 1.00 21.54 O ATOM 0 H GLU A 74 12.038 -37.398 -19.100 1.00 11.21 H new ATOM 0 HA GLU A 74 14.181 -37.229 -18.504 1.00 14.50 H new ATOM 0 HB2 GLU A 74 13.702 -39.572 -17.655 1.00 55.42 H new ATOM 0 HB3 GLU A 74 14.570 -40.148 -19.064 1.00 55.42 H new ATOM 0 HG2 GLU A 74 16.563 -38.819 -18.418 1.00 53.02 H new ATOM 0 HG3 GLU A 74 15.698 -38.143 -17.052 1.00 53.02 H new ATOM 1203 N LYS A 75 14.480 -36.634 -21.043 1.00 54.23 N ATOM 1204 CA LYS A 75 14.908 -36.185 -22.356 1.00 64.34 C ATOM 1205 C LYS A 75 14.414 -34.749 -22.485 1.00 31.13 C ATOM 1206 O LYS A 75 15.197 -33.821 -22.680 1.00 34.34 O ATOM 1207 CB LYS A 75 14.265 -37.060 -23.449 1.00 21.10 C ATOM 1208 CG LYS A 75 15.292 -37.904 -24.204 1.00 33.20 C ATOM 1209 CD LYS A 75 14.577 -38.697 -25.306 1.00 44.22 C ATOM 1210 CE LYS A 75 15.552 -39.394 -26.260 1.00 71.52 C ATOM 1211 NZ LYS A 75 16.457 -38.433 -26.916 1.00 61.23 N ATOM 0 H LYS A 75 13.882 -35.948 -20.582 1.00 54.23 H new ATOM 0 HA LYS A 75 15.990 -36.253 -22.471 1.00 64.34 H new ATOM 0 HB2 LYS A 75 13.524 -37.717 -22.994 1.00 21.10 H new ATOM 0 HB3 LYS A 75 13.735 -36.422 -24.155 1.00 21.10 H new ATOM 0 HG2 LYS A 75 16.059 -37.263 -24.639 1.00 33.20 H new ATOM 0 HG3 LYS A 75 15.797 -38.584 -23.518 1.00 33.20 H new ATOM 0 HD2 LYS A 75 13.927 -39.443 -24.848 1.00 44.22 H new ATOM 0 HD3 LYS A 75 13.937 -38.023 -25.876 1.00 44.22 H new ATOM 0 HE2 LYS A 75 16.139 -40.127 -25.708 1.00 71.52 H new ATOM 0 HE3 LYS A 75 14.991 -39.941 -27.018 1.00 71.52 H new ATOM 0 HZ1 LYS A 75 16.895 -38.880 -27.747 1.00 61.23 H new ATOM 0 HZ2 LYS A 75 15.917 -37.597 -27.217 1.00 61.23 H new ATOM 0 HZ3 LYS A 75 17.199 -38.143 -26.248 1.00 61.23 H new ATOM 1225 N ASP A 76 13.092 -34.600 -22.347 1.00 11.15 N ATOM 1226 CA ASP A 76 12.378 -33.337 -22.351 1.00 73.31 C ATOM 1227 C ASP A 76 12.423 -32.747 -20.943 1.00 52.45 C ATOM 1228 O ASP A 76 12.619 -33.483 -19.976 1.00 72.11 O ATOM 1229 CB ASP A 76 10.936 -33.603 -22.796 1.00 64.34 C ATOM 1230 CG ASP A 76 10.892 -34.199 -24.202 1.00 53.13 C ATOM 1231 OD1 ASP A 76 10.945 -33.402 -25.164 1.00 40.23 O ATOM 1232 OD2 ASP A 76 10.823 -35.445 -24.289 1.00 54.01 O ATOM 0 H ASP A 76 12.470 -35.399 -22.224 1.00 11.15 H new ATOM 0 HA ASP A 76 12.833 -32.624 -23.039 1.00 73.31 H new ATOM 0 HB2 ASP A 76 10.456 -34.285 -22.094 1.00 64.34 H new ATOM 0 HB3 ASP A 76 10.369 -32.673 -22.775 1.00 64.34 H new ATOM 1237 N GLU A 77 12.260 -31.422 -20.835 1.00 62.11 N ATOM 1238 CA GLU A 77 12.288 -30.694 -19.572 1.00 44.02 C ATOM 1239 C GLU A 77 10.930 -30.047 -19.298 1.00 3.45 C ATOM 1240 O GLU A 77 10.287 -29.512 -20.201 1.00 20.15 O ATOM 1241 CB GLU A 77 13.454 -29.692 -19.523 1.00 60.21 C ATOM 1242 CG GLU A 77 13.349 -28.496 -20.479 1.00 21.54 C ATOM 1243 CD GLU A 77 13.495 -28.906 -21.941 1.00 22.53 C ATOM 1244 OE1 GLU A 77 12.442 -29.058 -22.597 1.00 11.50 O ATOM 1245 OE2 GLU A 77 14.655 -29.075 -22.374 1.00 41.21 O ATOM 0 H GLU A 77 12.102 -30.819 -21.643 1.00 62.11 H new ATOM 0 HA GLU A 77 12.472 -31.403 -18.765 1.00 44.02 H new ATOM 0 HB2 GLU A 77 13.539 -29.312 -18.505 1.00 60.21 H new ATOM 0 HB3 GLU A 77 14.378 -30.228 -19.742 1.00 60.21 H new ATOM 0 HG2 GLU A 77 12.387 -28.004 -20.337 1.00 21.54 H new ATOM 0 HG3 GLU A 77 14.120 -27.767 -20.230 1.00 21.54 H new ATOM 1252 N TYR A 78 10.495 -30.148 -18.037 1.00 23.13 N ATOM 1253 CA TYR A 78 9.149 -29.847 -17.574 1.00 34.14 C ATOM 1254 C TYR A 78 9.213 -28.588 -16.714 1.00 23.21 C ATOM 1255 O TYR A 78 10.010 -28.538 -15.777 1.00 61.54 O ATOM 1256 CB TYR A 78 8.645 -31.056 -16.767 1.00 60.42 C ATOM 1257 CG TYR A 78 8.927 -32.381 -17.454 1.00 13.33 C ATOM 1258 CD1 TYR A 78 8.131 -32.791 -18.536 1.00 74.15 C ATOM 1259 CD2 TYR A 78 10.130 -33.060 -17.188 1.00 71.21 C ATOM 1260 CE1 TYR A 78 8.547 -33.850 -19.361 1.00 4.25 C ATOM 1261 CE2 TYR A 78 10.503 -34.173 -17.955 1.00 3.12 C ATOM 1262 CZ TYR A 78 9.734 -34.542 -19.068 1.00 43.42 C ATOM 1263 OH TYR A 78 10.145 -35.562 -19.869 1.00 0.22 O ATOM 0 H TYR A 78 11.106 -30.457 -17.281 1.00 23.13 H new ATOM 0 HA TYR A 78 8.462 -29.667 -18.401 1.00 34.14 H new ATOM 0 HB2 TYR A 78 9.117 -31.054 -15.785 1.00 60.42 H new ATOM 0 HB3 TYR A 78 7.572 -30.957 -16.605 1.00 60.42 H new ATOM 0 HD1 TYR A 78 7.195 -32.290 -18.735 1.00 74.15 H new ATOM 0 HD2 TYR A 78 10.771 -32.722 -16.387 1.00 71.21 H new ATOM 0 HE1 TYR A 78 7.955 -34.131 -20.219 1.00 4.25 H new ATOM 0 HE2 TYR A 78 11.380 -34.744 -17.689 1.00 3.12 H new ATOM 0 HH TYR A 78 11.123 -35.615 -19.855 1.00 0.22 H new ATOM 1273 N ALA A 79 8.417 -27.561 -17.043 1.00 0.22 N ATOM 1274 CA ALA A 79 8.526 -26.265 -16.387 1.00 13.52 C ATOM 1275 C ALA A 79 7.193 -25.524 -16.348 1.00 61.35 C ATOM 1276 O ALA A 79 6.562 -25.331 -17.386 1.00 24.25 O ATOM 1277 CB ALA A 79 9.568 -25.413 -17.119 1.00 25.12 C ATOM 0 H ALA A 79 7.693 -27.610 -17.760 1.00 0.22 H new ATOM 0 HA ALA A 79 8.833 -26.439 -15.356 1.00 13.52 H new ATOM 0 HB1 ALA A 79 9.652 -24.442 -16.631 1.00 25.12 H new ATOM 0 HB2 ALA A 79 10.534 -25.917 -17.093 1.00 25.12 H new ATOM 0 HB3 ALA A 79 9.260 -25.272 -18.155 1.00 25.12 H new ATOM 1283 N CYS A 80 6.812 -25.054 -15.152 1.00 54.33 N ATOM 1284 CA CYS A 80 5.733 -24.094 -14.975 1.00 20.20 C ATOM 1285 C CYS A 80 6.244 -22.696 -15.326 1.00 25.30 C ATOM 1286 O CYS A 80 7.228 -22.226 -14.759 1.00 45.02 O ATOM 1287 CB CYS A 80 5.147 -24.188 -13.560 1.00 24.34 C ATOM 1288 SG CYS A 80 4.029 -25.609 -13.363 1.00 34.43 S ATOM 0 H CYS A 80 7.253 -25.337 -14.277 1.00 54.33 H new ATOM 0 HA CYS A 80 4.910 -24.323 -15.652 1.00 20.20 H new ATOM 0 HB2 CYS A 80 5.960 -24.266 -12.838 1.00 24.34 H new ATOM 0 HB3 CYS A 80 4.606 -23.270 -13.332 1.00 24.34 H new ATOM 1293 N ARG A 81 5.576 -22.063 -16.296 1.00 1.14 N ATOM 1294 CA ARG A 81 5.873 -20.752 -16.840 1.00 42.11 C ATOM 1295 C ARG A 81 5.022 -19.749 -16.069 1.00 51.41 C ATOM 1296 O ARG A 81 3.871 -19.498 -16.420 1.00 0.54 O ATOM 1297 CB ARG A 81 5.568 -20.773 -18.346 1.00 60.14 C ATOM 1298 CG ARG A 81 5.733 -19.390 -18.986 1.00 45.44 C ATOM 1299 CD ARG A 81 5.770 -19.491 -20.517 1.00 24.50 C ATOM 1300 NE ARG A 81 4.533 -20.043 -21.084 1.00 41.02 N ATOM 1301 CZ ARG A 81 3.372 -19.378 -21.217 1.00 41.41 C ATOM 1302 NH1 ARG A 81 3.213 -18.143 -20.717 1.00 2.54 N ATOM 1303 NH2 ARG A 81 2.350 -19.961 -21.858 1.00 40.22 N ATOM 0 H ARG A 81 4.764 -22.487 -16.744 1.00 1.14 H new ATOM 0 HA ARG A 81 6.920 -20.469 -16.732 1.00 42.11 H new ATOM 0 HB2 ARG A 81 6.232 -21.482 -18.840 1.00 60.14 H new ATOM 0 HB3 ARG A 81 4.549 -21.126 -18.504 1.00 60.14 H new ATOM 0 HG2 ARG A 81 4.910 -18.744 -18.681 1.00 45.44 H new ATOM 0 HG3 ARG A 81 6.652 -18.927 -18.627 1.00 45.44 H new ATOM 0 HD2 ARG A 81 5.946 -18.501 -20.937 1.00 24.50 H new ATOM 0 HD3 ARG A 81 6.611 -20.117 -20.814 1.00 24.50 H new ATOM 0 HE ARG A 81 4.556 -21.011 -21.404 1.00 41.02 H new ATOM 0 HH11 ARG A 81 3.982 -17.690 -20.224 1.00 2.54 H new ATOM 0 HH12 ARG A 81 2.323 -17.658 -20.830 1.00 2.54 H new ATOM 0 HH21 ARG A 81 2.457 -20.901 -22.240 1.00 40.22 H new ATOM 0 HH22 ARG A 81 1.465 -19.465 -21.964 1.00 40.22 H new ATOM 1317 N VAL A 82 5.580 -19.224 -14.975 1.00 62.24 N ATOM 1318 CA VAL A 82 4.826 -18.466 -13.993 1.00 11.21 C ATOM 1319 C VAL A 82 4.834 -16.991 -14.393 1.00 62.23 C ATOM 1320 O VAL A 82 5.713 -16.236 -13.980 1.00 72.53 O ATOM 1321 CB VAL A 82 5.392 -18.732 -12.585 1.00 24.11 C ATOM 1322 CG1 VAL A 82 4.539 -18.038 -11.519 1.00 14.54 C ATOM 1323 CG2 VAL A 82 5.396 -20.235 -12.273 1.00 3.03 C ATOM 0 H VAL A 82 6.571 -19.317 -14.752 1.00 62.24 H new ATOM 0 HA VAL A 82 3.783 -18.782 -13.965 1.00 11.21 H new ATOM 0 HB VAL A 82 6.410 -18.342 -12.569 1.00 24.11 H new ATOM 0 HG11 VAL A 82 4.956 -18.239 -10.532 1.00 14.54 H new ATOM 0 HG12 VAL A 82 4.535 -16.963 -11.700 1.00 14.54 H new ATOM 0 HG13 VAL A 82 3.518 -18.418 -11.566 1.00 14.54 H new ATOM 0 HG21 VAL A 82 5.800 -20.398 -11.274 1.00 3.03 H new ATOM 0 HG22 VAL A 82 4.377 -20.619 -12.320 1.00 3.03 H new ATOM 0 HG23 VAL A 82 6.014 -20.757 -13.004 1.00 3.03 H new ATOM 1333 N ASN A 83 3.836 -16.588 -15.187 1.00 24.54 N ATOM 1334 CA ASN A 83 3.562 -15.192 -15.490 1.00 54.24 C ATOM 1335 C ASN A 83 2.587 -14.649 -14.447 1.00 60.14 C ATOM 1336 O ASN A 83 1.800 -15.396 -13.870 1.00 42.34 O ATOM 1337 CB ASN A 83 2.991 -15.055 -16.908 1.00 1.11 C ATOM 1338 CG ASN A 83 4.082 -15.104 -17.971 1.00 54.31 C ATOM 1339 OD1 ASN A 83 4.204 -16.085 -18.702 1.00 13.34 O ATOM 1340 ND2 ASN A 83 4.871 -14.031 -18.065 1.00 63.14 N ATOM 0 H ASN A 83 3.191 -17.236 -15.640 1.00 24.54 H new ATOM 0 HA ASN A 83 4.485 -14.614 -15.453 1.00 54.24 H new ATOM 0 HB2 ASN A 83 2.273 -15.855 -17.088 1.00 1.11 H new ATOM 0 HB3 ASN A 83 2.447 -14.114 -16.990 1.00 1.11 H new ATOM 0 HD21 ASN A 83 5.612 -14.003 -18.765 1.00 63.14 H new ATOM 0 HD22 ASN A 83 4.733 -13.240 -17.437 1.00 63.14 H new ATOM 1347 N HIS A 84 2.677 -13.341 -14.195 1.00 0.00 N ATOM 1348 CA HIS A 84 1.877 -12.604 -13.227 1.00 0.00 C ATOM 1349 C HIS A 84 1.958 -11.128 -13.625 1.00 0.00 C ATOM 1350 O HIS A 84 2.798 -10.761 -14.446 1.00 0.00 O ATOM 1351 CB HIS A 84 2.440 -12.857 -11.816 1.00 0.00 C ATOM 1352 CG HIS A 84 1.663 -12.257 -10.666 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.319 -11.785 -9.530 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.313 -12.110 -10.477 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.347 -11.376 -8.710 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.123 -11.567 -9.223 1.00 0.00 N ATOM 0 H HIS A 84 3.342 -12.743 -14.686 1.00 0.00 H new ATOM 0 HA HIS A 84 0.834 -12.921 -13.218 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.503 -13.934 -11.661 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.458 -12.470 -11.780 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.462 -12.372 -11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.527 -10.939 -7.739 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.769 -11.354 -8.776 1.00 0.00 H new ATOM 1364 N VAL A 85 1.103 -10.268 -13.058 1.00 5.24 N ATOM 1365 CA VAL A 85 1.163 -8.839 -13.343 1.00 25.30 C ATOM 1366 C VAL A 85 2.525 -8.256 -12.938 1.00 1.41 C ATOM 1367 O VAL A 85 3.032 -7.361 -13.611 1.00 2.44 O ATOM 1368 CB VAL A 85 -0.031 -8.101 -12.710 1.00 14.35 C ATOM 1369 CG1 VAL A 85 0.092 -7.961 -11.188 1.00 71.54 C ATOM 1370 CG2 VAL A 85 -0.198 -6.714 -13.343 1.00 1.14 C ATOM 0 H VAL A 85 0.368 -10.539 -12.404 1.00 5.24 H new ATOM 0 HA VAL A 85 1.076 -8.689 -14.419 1.00 25.30 H new ATOM 0 HB VAL A 85 -0.912 -8.710 -12.909 1.00 14.35 H new ATOM 0 HG11 VAL A 85 -0.779 -7.433 -10.800 1.00 71.54 H new ATOM 0 HG12 VAL A 85 0.148 -8.951 -10.735 1.00 71.54 H new ATOM 0 HG13 VAL A 85 0.995 -7.400 -10.946 1.00 71.54 H new ATOM 0 HG21 VAL A 85 -1.046 -6.205 -12.885 1.00 1.14 H new ATOM 0 HG22 VAL A 85 0.707 -6.129 -13.181 1.00 1.14 H new ATOM 0 HG23 VAL A 85 -0.374 -6.821 -14.413 1.00 1.14 H new ATOM 1380 N THR A 86 3.132 -8.792 -11.869 1.00 40.24 N ATOM 1381 CA THR A 86 4.474 -8.424 -11.442 1.00 54.23 C ATOM 1382 C THR A 86 5.514 -9.037 -12.388 1.00 20.50 C ATOM 1383 O THR A 86 6.376 -8.322 -12.897 1.00 44.11 O ATOM 1384 CB THR A 86 4.709 -8.828 -9.976 1.00 34.21 C ATOM 1385 OG1 THR A 86 4.726 -10.232 -9.821 1.00 12.14 O ATOM 1386 CG2 THR A 86 3.641 -8.238 -9.049 1.00 41.52 C ATOM 0 H THR A 86 2.695 -9.498 -11.277 1.00 40.24 H new ATOM 0 HA THR A 86 4.582 -7.341 -11.492 1.00 54.23 H new ATOM 0 HB THR A 86 5.683 -8.425 -9.699 1.00 34.21 H new ATOM 0 HG1 THR A 86 3.807 -10.565 -9.753 1.00 12.14 H new ATOM 0 HG21 THR A 86 3.840 -8.545 -8.022 1.00 41.52 H new ATOM 0 HG22 THR A 86 3.664 -7.150 -9.113 1.00 41.52 H new ATOM 0 HG23 THR A 86 2.658 -8.598 -9.351 1.00 41.52 H new ATOM 1394 N LEU A 87 5.422 -10.354 -12.633 1.00 72.31 N ATOM 1395 CA LEU A 87 6.326 -11.077 -13.517 1.00 61.14 C ATOM 1396 C LEU A 87 5.883 -10.904 -14.968 1.00 11.14 C ATOM 1397 O LEU A 87 5.261 -11.792 -15.551 1.00 65.24 O ATOM 1398 CB LEU A 87 6.399 -12.564 -13.143 1.00 74.24 C ATOM 1399 CG LEU A 87 6.825 -12.832 -11.691 1.00 53.31 C ATOM 1400 CD1 LEU A 87 6.849 -14.346 -11.464 1.00 1.05 C ATOM 1401 CD2 LEU A 87 8.205 -12.242 -11.379 1.00 62.53 C ATOM 0 H LEU A 87 4.706 -10.946 -12.213 1.00 72.31 H new ATOM 0 HA LEU A 87 7.327 -10.661 -13.401 1.00 61.14 H new ATOM 0 HB2 LEU A 87 5.422 -13.017 -13.312 1.00 74.24 H new ATOM 0 HB3 LEU A 87 7.101 -13.061 -13.813 1.00 74.24 H new ATOM 0 HG LEU A 87 6.109 -12.350 -11.026 1.00 53.31 H new ATOM 0 HD11 LEU A 87 7.150 -14.555 -10.437 1.00 1.05 H new ATOM 0 HD12 LEU A 87 5.855 -14.756 -11.642 1.00 1.05 H new ATOM 0 HD13 LEU A 87 7.560 -14.806 -12.151 1.00 1.05 H new ATOM 0 HD21 LEU A 87 8.466 -12.455 -10.342 1.00 62.53 H new ATOM 0 HD22 LEU A 87 8.949 -12.688 -12.039 1.00 62.53 H new ATOM 0 HD23 LEU A 87 8.183 -11.163 -11.533 1.00 62.53 H new ATOM 1413 N SER A 88 6.263 -9.765 -15.557 1.00 3.03 N ATOM 1414 CA SER A 88 6.124 -9.499 -16.982 1.00 34.11 C ATOM 1415 C SER A 88 6.793 -10.602 -17.813 1.00 35.21 C ATOM 1416 O SER A 88 6.318 -10.926 -18.900 1.00 5.02 O ATOM 1417 CB SER A 88 6.752 -8.138 -17.305 1.00 25.33 C ATOM 1418 OG SER A 88 6.141 -7.116 -16.546 1.00 73.31 O ATOM 0 H SER A 88 6.683 -8.991 -15.042 1.00 3.03 H new ATOM 0 HA SER A 88 5.064 -9.483 -17.237 1.00 34.11 H new ATOM 0 HB2 SER A 88 7.821 -8.165 -17.094 1.00 25.33 H new ATOM 0 HB3 SER A 88 6.642 -7.924 -18.368 1.00 25.33 H new ATOM 0 HG SER A 88 6.555 -6.255 -16.764 1.00 73.31 H new ATOM 1424 N GLN A 89 7.891 -11.177 -17.297 1.00 73.34 N ATOM 1425 CA GLN A 89 8.663 -12.211 -17.968 1.00 11.21 C ATOM 1426 C GLN A 89 8.047 -13.594 -17.724 1.00 42.02 C ATOM 1427 O GLN A 89 7.531 -13.843 -16.634 1.00 21.32 O ATOM 1428 CB GLN A 89 10.126 -12.177 -17.492 1.00 60.35 C ATOM 1429 CG GLN A 89 10.296 -12.562 -16.013 1.00 40.12 C ATOM 1430 CD GLN A 89 11.742 -12.418 -15.547 1.00 40.25 C ATOM 1431 OE1 GLN A 89 12.051 -11.548 -14.735 1.00 23.23 O ATOM 1432 NE2 GLN A 89 12.629 -13.284 -16.044 1.00 54.01 N ATOM 0 H GLN A 89 8.267 -10.924 -16.383 1.00 73.34 H new ATOM 0 HA GLN A 89 8.642 -12.016 -19.040 1.00 11.21 H new ATOM 0 HB2 GLN A 89 10.716 -12.857 -18.107 1.00 60.35 H new ATOM 0 HB3 GLN A 89 10.528 -11.176 -17.648 1.00 60.35 H new ATOM 0 HG2 GLN A 89 9.653 -11.932 -15.398 1.00 40.12 H new ATOM 0 HG3 GLN A 89 9.969 -13.591 -15.866 1.00 40.12 H new ATOM 0 HE21 GLN A 89 12.330 -13.991 -16.716 1.00 54.01 H new ATOM 0 HE22 GLN A 89 13.605 -13.239 -15.751 1.00 54.01 H new ATOM 1441 N PRO A 90 8.129 -14.511 -18.703 1.00 24.53 N ATOM 1442 CA PRO A 90 7.786 -15.911 -18.521 1.00 23.53 C ATOM 1443 C PRO A 90 8.847 -16.570 -17.640 1.00 34.24 C ATOM 1444 O PRO A 90 9.939 -16.883 -18.110 1.00 31.24 O ATOM 1445 CB PRO A 90 7.749 -16.498 -19.935 1.00 21.20 C ATOM 1446 CG PRO A 90 8.736 -15.636 -20.718 1.00 33.42 C ATOM 1447 CD PRO A 90 8.595 -14.266 -20.060 1.00 24.24 C ATOM 0 HA PRO A 90 6.830 -16.068 -18.023 1.00 23.53 H new ATOM 0 HB2 PRO A 90 8.044 -17.547 -19.940 1.00 21.20 H new ATOM 0 HB3 PRO A 90 6.748 -16.447 -20.362 1.00 21.20 H new ATOM 0 HG2 PRO A 90 9.754 -16.018 -20.641 1.00 33.42 H new ATOM 0 HG3 PRO A 90 8.488 -15.601 -21.779 1.00 33.42 H new ATOM 0 HD2 PRO A 90 9.548 -13.737 -20.054 1.00 24.24 H new ATOM 0 HD3 PRO A 90 7.888 -13.643 -20.607 1.00 24.24 H new ATOM 1455 N LYS A 91 8.530 -16.762 -16.353 1.00 63.25 N ATOM 1456 CA LYS A 91 9.456 -17.337 -15.391 1.00 53.43 C ATOM 1457 C LYS A 91 9.428 -18.858 -15.545 1.00 12.11 C ATOM 1458 O LYS A 91 8.565 -19.521 -14.974 1.00 24.31 O ATOM 1459 CB LYS A 91 9.077 -16.878 -13.975 1.00 54.32 C ATOM 1460 CG LYS A 91 10.074 -17.329 -12.895 1.00 43.02 C ATOM 1461 CD LYS A 91 11.478 -16.711 -13.011 1.00 54.34 C ATOM 1462 CE LYS A 91 11.495 -15.178 -12.956 1.00 24.11 C ATOM 1463 NZ LYS A 91 10.880 -14.663 -11.720 1.00 60.12 N ATOM 0 H LYS A 91 7.622 -16.520 -15.957 1.00 63.25 H new ATOM 0 HA LYS A 91 10.476 -16.997 -15.571 1.00 53.43 H new ATOM 0 HB2 LYS A 91 9.006 -15.790 -13.961 1.00 54.32 H new ATOM 0 HB3 LYS A 91 8.088 -17.265 -13.729 1.00 54.32 H new ATOM 0 HG2 LYS A 91 9.664 -17.081 -11.916 1.00 43.02 H new ATOM 0 HG3 LYS A 91 10.166 -18.414 -12.937 1.00 43.02 H new ATOM 0 HD2 LYS A 91 12.102 -17.100 -12.206 1.00 54.34 H new ATOM 0 HD3 LYS A 91 11.929 -17.035 -13.949 1.00 54.34 H new ATOM 0 HE2 LYS A 91 12.524 -14.824 -13.024 1.00 24.11 H new ATOM 0 HE3 LYS A 91 10.963 -14.778 -13.819 1.00 24.11 H new ATOM 0 HZ1 LYS A 91 10.958 -13.626 -11.700 1.00 60.12 H new ATOM 0 HZ2 LYS A 91 9.877 -14.936 -11.692 1.00 60.12 H new ATOM 0 HZ3 LYS A 91 11.371 -15.063 -10.895 1.00 60.12 H new ATOM 1477 N ILE A 92 10.368 -19.397 -16.330 1.00 12.51 N ATOM 1478 CA ILE A 92 10.496 -20.824 -16.595 1.00 14.15 C ATOM 1479 C ILE A 92 11.071 -21.496 -15.346 1.00 54.41 C ATOM 1480 O ILE A 92 12.289 -21.585 -15.195 1.00 24.51 O ATOM 1481 CB ILE A 92 11.389 -21.055 -17.835 1.00 14.01 C ATOM 1482 CG1 ILE A 92 10.954 -20.245 -19.072 1.00 61.22 C ATOM 1483 CG2 ILE A 92 11.460 -22.549 -18.187 1.00 20.41 C ATOM 1484 CD1 ILE A 92 9.495 -20.453 -19.489 1.00 32.45 C ATOM 0 H ILE A 92 11.074 -18.836 -16.807 1.00 12.51 H new ATOM 0 HA ILE A 92 9.523 -21.263 -16.815 1.00 14.15 H new ATOM 0 HB ILE A 92 12.379 -20.693 -17.556 1.00 14.01 H new ATOM 0 HG12 ILE A 92 11.113 -19.186 -18.871 1.00 61.22 H new ATOM 0 HG13 ILE A 92 11.599 -20.511 -19.909 1.00 61.22 H new ATOM 0 HG21 ILE A 92 12.094 -22.687 -19.063 1.00 20.41 H new ATOM 0 HG22 ILE A 92 11.878 -23.102 -17.346 1.00 20.41 H new ATOM 0 HG23 ILE A 92 10.458 -22.920 -18.402 1.00 20.41 H new ATOM 0 HD11 ILE A 92 9.277 -19.845 -20.367 1.00 32.45 H new ATOM 0 HD12 ILE A 92 9.331 -21.504 -19.726 1.00 32.45 H new ATOM 0 HD13 ILE A 92 8.837 -20.158 -18.671 1.00 32.45 H new ATOM 1496 N VAL A 93 10.197 -21.955 -14.441 1.00 0.03 N ATOM 1497 CA VAL A 93 10.622 -22.605 -13.211 1.00 55.13 C ATOM 1498 C VAL A 93 11.079 -24.023 -13.535 1.00 61.12 C ATOM 1499 O VAL A 93 10.329 -24.798 -14.124 1.00 11.52 O ATOM 1500 CB VAL A 93 9.506 -22.623 -12.158 1.00 12.34 C ATOM 1501 CG1 VAL A 93 10.088 -23.132 -10.832 1.00 20.24 C ATOM 1502 CG2 VAL A 93 8.926 -21.227 -11.930 1.00 11.40 C ATOM 0 H VAL A 93 9.185 -21.884 -14.546 1.00 0.03 H new ATOM 0 HA VAL A 93 11.448 -22.037 -12.784 1.00 55.13 H new ATOM 0 HB VAL A 93 8.708 -23.274 -12.516 1.00 12.34 H new ATOM 0 HG11 VAL A 93 9.305 -23.150 -10.074 1.00 20.24 H new ATOM 0 HG12 VAL A 93 10.482 -24.139 -10.970 1.00 20.24 H new ATOM 0 HG13 VAL A 93 10.891 -22.469 -10.509 1.00 20.24 H new ATOM 0 HG21 VAL A 93 8.138 -21.279 -11.178 1.00 11.40 H new ATOM 0 HG22 VAL A 93 9.714 -20.558 -11.585 1.00 11.40 H new ATOM 0 HG23 VAL A 93 8.511 -20.848 -12.864 1.00 11.40 H new ATOM 1512 N LYS A 94 12.313 -24.349 -13.146 1.00 64.14 N ATOM 1513 CA LYS A 94 12.943 -25.622 -13.442 1.00 12.50 C ATOM 1514 C LYS A 94 12.625 -26.608 -12.320 1.00 63.11 C ATOM 1515 O LYS A 94 13.239 -26.550 -11.256 1.00 52.42 O ATOM 1516 CB LYS A 94 14.454 -25.417 -13.616 1.00 55.33 C ATOM 1517 CG LYS A 94 14.747 -24.465 -14.785 1.00 51.53 C ATOM 1518 CD LYS A 94 16.232 -24.437 -15.165 1.00 1.30 C ATOM 1519 CE LYS A 94 17.130 -23.992 -14.005 1.00 54.24 C ATOM 1520 NZ LYS A 94 18.534 -23.874 -14.430 1.00 44.01 N ATOM 0 H LYS A 94 12.907 -23.719 -12.607 1.00 64.14 H new ATOM 0 HA LYS A 94 12.557 -26.035 -14.374 1.00 12.50 H new ATOM 0 HB2 LYS A 94 14.878 -25.012 -12.697 1.00 55.33 H new ATOM 0 HB3 LYS A 94 14.937 -26.378 -13.794 1.00 55.33 H new ATOM 0 HG2 LYS A 94 14.160 -24.768 -15.652 1.00 51.53 H new ATOM 0 HG3 LYS A 94 14.425 -23.458 -14.518 1.00 51.53 H new ATOM 0 HD2 LYS A 94 16.537 -25.430 -15.495 1.00 1.30 H new ATOM 0 HD3 LYS A 94 16.374 -23.762 -16.009 1.00 1.30 H new ATOM 0 HE2 LYS A 94 16.782 -23.033 -13.621 1.00 54.24 H new ATOM 0 HE3 LYS A 94 17.054 -24.709 -13.188 1.00 54.24 H new ATOM 0 HZ1 LYS A 94 19.117 -23.571 -13.623 1.00 44.01 H new ATOM 0 HZ2 LYS A 94 18.871 -24.796 -14.774 1.00 44.01 H new ATOM 0 HZ3 LYS A 94 18.608 -23.171 -15.193 1.00 44.01 H new ATOM 1534 N TRP A 95 11.666 -27.509 -12.576 1.00 31.31 N ATOM 1535 CA TRP A 95 11.313 -28.620 -11.703 1.00 12.20 C ATOM 1536 C TRP A 95 12.560 -29.389 -11.267 1.00 72.13 C ATOM 1537 O TRP A 95 13.217 -30.035 -12.083 1.00 62.55 O ATOM 1538 CB TRP A 95 10.355 -29.570 -12.433 1.00 4.40 C ATOM 1539 CG TRP A 95 10.158 -30.918 -11.798 1.00 71.54 C ATOM 1540 CD1 TRP A 95 9.769 -31.163 -10.527 1.00 24.33 C ATOM 1541 CD2 TRP A 95 10.412 -32.226 -12.385 1.00 1.04 C ATOM 1542 NE1 TRP A 95 9.759 -32.522 -10.288 1.00 15.22 N ATOM 1543 CE2 TRP A 95 10.143 -33.232 -11.411 1.00 21.14 C ATOM 1544 CE3 TRP A 95 10.859 -32.657 -13.648 1.00 74.12 C ATOM 1545 CZ2 TRP A 95 10.294 -34.601 -11.692 1.00 62.43 C ATOM 1546 CZ3 TRP A 95 11.030 -34.024 -13.935 1.00 52.42 C ATOM 1547 CH2 TRP A 95 10.730 -34.996 -12.968 1.00 21.40 C ATOM 0 H TRP A 95 11.101 -27.477 -13.425 1.00 31.31 H new ATOM 0 HA TRP A 95 10.826 -28.216 -10.815 1.00 12.20 H new ATOM 0 HB2 TRP A 95 9.383 -29.083 -12.515 1.00 4.40 H new ATOM 0 HB3 TRP A 95 10.724 -29.718 -13.448 1.00 4.40 H new ATOM 0 HD1 TRP A 95 9.505 -30.406 -9.804 1.00 24.33 H new ATOM 0 HE1 TRP A 95 9.502 -32.948 -9.398 1.00 15.22 H new ATOM 0 HE3 TRP A 95 11.075 -31.924 -14.412 1.00 74.12 H new ATOM 0 HZ2 TRP A 95 10.077 -35.341 -10.936 1.00 62.43 H new ATOM 0 HZ3 TRP A 95 11.394 -34.327 -14.905 1.00 52.42 H new ATOM 0 HH2 TRP A 95 10.834 -36.045 -13.204 1.00 21.40 H new ATOM 1558 N ASP A 96 12.852 -29.331 -9.965 1.00 45.34 N ATOM 1559 CA ASP A 96 13.891 -30.115 -9.325 1.00 40.04 C ATOM 1560 C ASP A 96 13.336 -31.506 -9.016 1.00 15.51 C ATOM 1561 O ASP A 96 12.597 -31.690 -8.050 1.00 24.43 O ATOM 1562 CB ASP A 96 14.419 -29.382 -8.079 1.00 24.21 C ATOM 1563 CG ASP A 96 13.326 -28.978 -7.085 1.00 25.41 C ATOM 1564 OD1 ASP A 96 13.288 -29.591 -5.997 1.00 74.53 O ATOM 1565 OD2 ASP A 96 12.558 -28.050 -7.425 1.00 44.01 O ATOM 0 H ASP A 96 12.355 -28.719 -9.317 1.00 45.34 H new ATOM 0 HA ASP A 96 14.747 -30.240 -9.988 1.00 40.04 H new ATOM 0 HB2 ASP A 96 15.139 -30.023 -7.571 1.00 24.21 H new ATOM 0 HB3 ASP A 96 14.956 -28.488 -8.396 1.00 24.21 H new ATOM 1570 N ARG A 97 13.698 -32.493 -9.845 1.00 24.30 N ATOM 1571 CA ARG A 97 13.349 -33.890 -9.619 1.00 0.44 C ATOM 1572 C ARG A 97 14.048 -34.475 -8.383 1.00 74.14 C ATOM 1573 O ARG A 97 13.625 -35.519 -7.887 1.00 55.24 O ATOM 1574 CB ARG A 97 13.599 -34.729 -10.883 1.00 20.10 C ATOM 1575 CG ARG A 97 15.039 -35.220 -11.094 1.00 35.20 C ATOM 1576 CD ARG A 97 16.058 -34.103 -11.325 1.00 4.31 C ATOM 1577 NE ARG A 97 17.385 -34.675 -11.576 1.00 34.34 N ATOM 1578 CZ ARG A 97 18.526 -33.972 -11.664 1.00 2.25 C ATOM 1579 NH1 ARG A 97 18.521 -32.635 -11.568 1.00 32.44 N ATOM 1580 NH2 ARG A 97 19.684 -34.620 -11.849 1.00 3.51 N ATOM 0 H ARG A 97 14.243 -32.338 -10.693 1.00 24.30 H new ATOM 0 HA ARG A 97 12.281 -33.930 -9.404 1.00 0.44 H new ATOM 0 HB2 ARG A 97 12.941 -35.598 -10.854 1.00 20.10 H new ATOM 0 HB3 ARG A 97 13.308 -34.137 -11.751 1.00 20.10 H new ATOM 0 HG2 ARG A 97 15.344 -35.799 -10.223 1.00 35.20 H new ATOM 0 HG3 ARG A 97 15.058 -35.896 -11.949 1.00 35.20 H new ATOM 0 HD2 ARG A 97 15.751 -33.490 -12.173 1.00 4.31 H new ATOM 0 HD3 ARG A 97 16.095 -33.448 -10.455 1.00 4.31 H new ATOM 0 HE ARG A 97 17.446 -35.686 -11.693 1.00 34.34 H new ATOM 0 HH11 ARG A 97 17.642 -32.137 -11.426 1.00 32.44 H new ATOM 0 HH12 ARG A 97 19.396 -32.115 -11.637 1.00 32.44 H new ATOM 0 HH21 ARG A 97 19.693 -35.637 -11.922 1.00 3.51 H new ATOM 0 HH22 ARG A 97 20.556 -34.096 -11.917 1.00 3.51 H new ATOM 1594 N ASP A 98 15.102 -33.808 -7.887 1.00 42.54 N ATOM 1595 CA ASP A 98 15.850 -34.193 -6.700 1.00 54.22 C ATOM 1596 C ASP A 98 15.106 -33.691 -5.459 1.00 45.03 C ATOM 1597 O ASP A 98 15.594 -32.820 -4.740 1.00 0.42 O ATOM 1598 CB ASP A 98 17.277 -33.625 -6.785 1.00 55.04 C ATOM 1599 CG ASP A 98 18.029 -34.083 -8.036 1.00 20.20 C ATOM 1600 OD1 ASP A 98 17.906 -35.278 -8.385 1.00 23.12 O ATOM 1601 OD2 ASP A 98 18.724 -33.225 -8.621 1.00 42.35 O ATOM 0 H ASP A 98 15.462 -32.959 -8.323 1.00 42.54 H new ATOM 0 HA ASP A 98 15.931 -35.278 -6.631 1.00 54.22 H new ATOM 0 HB2 ASP A 98 17.230 -32.536 -6.774 1.00 55.04 H new ATOM 0 HB3 ASP A 98 17.836 -33.929 -5.900 1.00 55.04 H new ATOM 1606 N MET A 99 13.917 -34.263 -5.232 1.00 31.14 N ATOM 1607 CA MET A 99 13.009 -33.974 -4.130 1.00 22.54 C ATOM 1608 C MET A 99 12.442 -32.556 -4.250 1.00 3.10 C ATOM 1609 O MET A 99 12.993 -31.650 -3.585 1.00 51.11 O ATOM 1610 CB MET A 99 13.680 -34.269 -2.775 1.00 55.02 C ATOM 1611 CG MET A 99 12.687 -34.237 -1.608 1.00 74.25 C ATOM 1612 SD MET A 99 11.387 -35.502 -1.665 1.00 12.21 S ATOM 1613 CE MET A 99 10.621 -35.210 -0.050 1.00 2.05 C ATOM 1614 OXT MET A 99 11.456 -32.405 -5.005 1.00 0.00 O ATOM 0 H MET A 99 13.547 -34.982 -5.854 1.00 31.14 H new ATOM 0 HA MET A 99 12.150 -34.642 -4.186 1.00 22.54 H new ATOM 0 HB2 MET A 99 14.157 -35.248 -2.815 1.00 55.02 H new ATOM 0 HB3 MET A 99 14.468 -33.538 -2.597 1.00 55.02 H new ATOM 0 HG2 MET A 99 13.242 -34.351 -0.677 1.00 74.25 H new ATOM 0 HG3 MET A 99 12.215 -33.255 -1.580 1.00 74.25 H new ATOM 0 HE1 MET A 99 9.793 -35.904 0.091 1.00 2.05 H new ATOM 0 HE2 MET A 99 11.360 -35.363 0.736 1.00 2.05 H new ATOM 0 HE3 MET A 99 10.248 -34.187 -0.004 1.00 2.05 H new TER 1624 MET A 99