USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Set 1.2: A 78 ASN : amide:sc=-0.00452 K(o=-1.1,f=-2.3) USER MOD Set 2.1: A 7 SER OG : rot 39:sc= 0.0269 USER MOD Set 2.2: A 8 HIS : no HE2:sc= 0.491 K(o=1.5,f=-0.83!) USER MOD Set 2.3: A 37 THR OG1 : rot 140:sc= 1.02 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 172:sc= -0.0476 (180deg=-0.0872) USER MOD Single : A 2 HIS : no HE2:sc= -0.546 K(o=-0.55,f=-1.9) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.097) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -165:sc= -0.103 (180deg=-0.456) USER MOD Single : A 13 THR OG1 : rot -130:sc= -0.966 USER MOD Single : A 19 HIS : no HE2:sc= -0.0057 K(o=-0.0057,f=-2.2) USER MOD Single : A 20 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.047) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.2) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 10:sc= 1.25 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0413 (180deg=-0.215) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 55 HIS : no HE2:sc= 0.318 K(o=0.32,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.049 USER MOD Single : A 74 GLN : amide:sc= 0.336 K(o=0.34,f=-0.59) USER MOD Single : A 76 SER OG : rot -82:sc= -0.766 USER MOD Single : A 77 GLN : amide:sc= 0.646 K(o=0.65,f=-6.1!) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc=-0.00944 (180deg=-0.114) USER MOD Single : A 85 THR OG1 : rot 38:sc= 0.33 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.991 -20.982 13.226 1.00 75.00 N ATOM 2 CA HIS A 1 -5.479 -21.948 12.205 1.00 75.00 C ATOM 3 C HIS A 1 -5.440 -21.338 10.792 1.00 75.00 C ATOM 4 O HIS A 1 -6.136 -21.818 9.889 1.00 75.00 O ATOM 5 CB HIS A 1 -6.906 -22.465 12.564 1.00 75.00 C ATOM 6 CG HIS A 1 -8.005 -21.425 12.571 1.00 75.00 C ATOM 7 ND1 HIS A 1 -8.810 -21.186 11.479 1.00 75.00 N ATOM 8 CD2 HIS A 1 -8.465 -20.606 13.550 1.00 75.00 C ATOM 9 CE1 HIS A 1 -9.707 -20.275 11.784 1.00 75.00 C ATOM 10 NE2 HIS A 1 -9.516 -19.909 13.033 1.00 75.00 N ATOM 0 H1 HIS A 1 -5.155 -21.370 14.177 1.00 75.00 H new ATOM 0 H2 HIS A 1 -3.973 -20.818 13.090 1.00 75.00 H new ATOM 0 H3 HIS A 1 -5.503 -20.082 13.126 1.00 75.00 H new ATOM 0 HA HIS A 1 -4.805 -22.805 12.207 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -7.177 -23.247 11.854 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -6.866 -22.929 13.549 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -8.072 -20.522 14.552 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -10.470 -19.892 11.122 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -10.067 -19.213 13.535 1.00 75.00 H new ATOM 21 N HIS A 2 -4.601 -20.300 10.593 1.00 75.00 N ATOM 22 CA HIS A 2 -4.348 -19.728 9.262 1.00 75.00 C ATOM 23 C HIS A 2 -2.870 -19.292 9.158 1.00 75.00 C ATOM 24 O HIS A 2 -2.345 -18.579 10.024 1.00 75.00 O ATOM 25 CB HIS A 2 -5.328 -18.555 8.935 1.00 75.00 C ATOM 26 CG HIS A 2 -5.069 -17.263 9.677 1.00 75.00 C ATOM 27 ND1 HIS A 2 -5.495 -17.045 10.965 1.00 75.00 N ATOM 28 CD2 HIS A 2 -4.442 -16.117 9.302 1.00 75.00 C ATOM 29 CE1 HIS A 2 -5.141 -15.841 11.348 1.00 75.00 C ATOM 30 NE2 HIS A 2 -4.502 -15.257 10.364 1.00 75.00 N ATOM 0 H HIS A 2 -4.086 -19.841 11.345 1.00 75.00 H new ATOM 0 HA HIS A 2 -4.536 -20.496 8.512 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -5.282 -18.354 7.865 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -6.344 -18.882 9.155 1.00 75.00 H new ATOM 0 HD1 HIS A 2 -6.008 -17.717 11.536 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -3.982 -15.922 8.344 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -5.343 -15.403 12.315 1.00 75.00 H new ATOM 39 N HIS A 3 -2.211 -19.793 8.121 1.00 75.00 N ATOM 40 CA HIS A 3 -0.834 -19.451 7.758 1.00 75.00 C ATOM 41 C HIS A 3 -0.650 -19.744 6.260 1.00 75.00 C ATOM 42 O HIS A 3 0.448 -20.032 5.785 1.00 75.00 O ATOM 43 CB HIS A 3 0.182 -20.231 8.645 1.00 75.00 C ATOM 44 CG HIS A 3 0.082 -21.736 8.583 1.00 75.00 C ATOM 45 ND1 HIS A 3 -0.694 -22.469 9.450 1.00 75.00 N ATOM 46 CD2 HIS A 3 0.687 -22.641 7.773 1.00 75.00 C ATOM 47 CE1 HIS A 3 -0.564 -23.749 9.172 1.00 75.00 C ATOM 48 NE2 HIS A 3 0.271 -23.881 8.167 1.00 75.00 N ATOM 0 H HIS A 3 -2.631 -20.472 7.486 1.00 75.00 H new ATOM 0 HA HIS A 3 -0.641 -18.393 7.938 1.00 75.00 H new ATOM 0 HB2 HIS A 3 1.191 -19.940 8.352 1.00 75.00 H new ATOM 0 HB3 HIS A 3 0.048 -19.918 9.681 1.00 75.00 H new ATOM 0 HD2 HIS A 3 1.371 -22.422 6.966 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -1.062 -24.558 9.686 1.00 75.00 H new ATOM 0 HE2 HIS A 3 0.561 -24.765 7.749 1.00 75.00 H new ATOM 57 N HIS A 4 -1.764 -19.645 5.521 1.00 75.00 N ATOM 58 CA HIS A 4 -1.815 -19.877 4.078 1.00 75.00 C ATOM 59 C HIS A 4 -1.508 -18.552 3.353 1.00 75.00 C ATOM 60 O HIS A 4 -1.611 -17.482 3.973 1.00 75.00 O ATOM 61 CB HIS A 4 -3.224 -20.433 3.710 1.00 75.00 C ATOM 62 CG HIS A 4 -3.381 -20.925 2.294 1.00 75.00 C ATOM 63 ND1 HIS A 4 -4.453 -20.596 1.494 1.00 75.00 N ATOM 64 CD2 HIS A 4 -2.609 -21.754 1.552 1.00 75.00 C ATOM 65 CE1 HIS A 4 -4.327 -21.197 0.327 1.00 75.00 C ATOM 66 NE2 HIS A 4 -3.219 -21.902 0.341 1.00 75.00 N ATOM 0 H HIS A 4 -2.669 -19.397 5.920 1.00 75.00 H new ATOM 0 HA HIS A 4 -1.072 -20.611 3.767 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -3.460 -21.253 4.389 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -3.961 -19.650 3.887 1.00 75.00 H new ATOM 0 HD2 HIS A 4 -1.682 -22.213 1.862 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -5.018 -21.122 -0.500 1.00 75.00 H new ATOM 0 HE2 HIS A 4 -2.870 -22.470 -0.431 1.00 75.00 H new ATOM 75 N HIS A 5 -1.138 -18.646 2.053 1.00 75.00 N ATOM 76 CA HIS A 5 -0.775 -17.493 1.199 1.00 75.00 C ATOM 77 C HIS A 5 0.588 -16.929 1.644 1.00 75.00 C ATOM 78 O HIS A 5 0.665 -16.129 2.587 1.00 75.00 O ATOM 79 CB HIS A 5 -1.870 -16.367 1.171 1.00 75.00 C ATOM 80 CG HIS A 5 -3.241 -16.832 0.753 1.00 75.00 C ATOM 81 ND1 HIS A 5 -3.660 -16.867 -0.555 1.00 75.00 N ATOM 82 CD2 HIS A 5 -4.294 -17.276 1.486 1.00 75.00 C ATOM 83 CE1 HIS A 5 -4.894 -17.306 -0.609 1.00 75.00 C ATOM 84 NE2 HIS A 5 -5.306 -17.562 0.611 1.00 75.00 N ATOM 0 H HIS A 5 -1.083 -19.539 1.563 1.00 75.00 H new ATOM 0 HA HIS A 5 -0.705 -17.860 0.175 1.00 75.00 H new ATOM 0 HB2 HIS A 5 -1.939 -15.922 2.163 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -1.545 -15.580 0.490 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -4.327 -17.383 2.560 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -5.476 -17.436 -1.509 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -6.228 -17.916 0.865 1.00 75.00 H new ATOM 93 N HIS A 6 1.665 -17.405 0.987 1.00 75.00 N ATOM 94 CA HIS A 6 3.036 -16.946 1.248 1.00 75.00 C ATOM 95 C HIS A 6 3.165 -15.485 0.779 1.00 75.00 C ATOM 96 O HIS A 6 2.834 -15.157 -0.365 1.00 75.00 O ATOM 97 CB HIS A 6 4.074 -17.872 0.552 1.00 75.00 C ATOM 98 CG HIS A 6 4.070 -19.299 1.067 1.00 75.00 C ATOM 99 ND1 HIS A 6 5.036 -19.807 1.912 1.00 75.00 N ATOM 100 CD2 HIS A 6 3.211 -20.323 0.847 1.00 75.00 C ATOM 101 CE1 HIS A 6 4.763 -21.065 2.187 1.00 75.00 C ATOM 102 NE2 HIS A 6 3.662 -21.400 1.555 1.00 75.00 N ATOM 0 H HIS A 6 1.604 -18.119 0.261 1.00 75.00 H new ATOM 0 HA HIS A 6 3.245 -16.993 2.317 1.00 75.00 H new ATOM 0 HB2 HIS A 6 3.875 -17.883 -0.520 1.00 75.00 H new ATOM 0 HB3 HIS A 6 5.070 -17.450 0.687 1.00 75.00 H new ATOM 0 HD2 HIS A 6 2.329 -20.293 0.224 1.00 75.00 H new ATOM 0 HE1 HIS A 6 5.346 -21.712 2.825 1.00 75.00 H new ATOM 0 HE2 HIS A 6 3.216 -22.317 1.588 1.00 75.00 H new ATOM 111 N SER A 7 3.646 -14.621 1.677 1.00 75.00 N ATOM 112 CA SER A 7 3.538 -13.158 1.549 1.00 75.00 C ATOM 113 C SER A 7 4.775 -12.454 2.136 1.00 75.00 C ATOM 114 O SER A 7 5.710 -13.107 2.615 1.00 75.00 O ATOM 115 CB SER A 7 2.245 -12.723 2.297 1.00 75.00 C ATOM 116 OG SER A 7 2.061 -11.322 2.300 1.00 75.00 O ATOM 0 H SER A 7 4.128 -14.918 2.525 1.00 75.00 H new ATOM 0 HA SER A 7 3.487 -12.874 0.498 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.383 -13.197 1.829 1.00 75.00 H new ATOM 0 HB3 SER A 7 2.287 -13.082 3.325 1.00 75.00 H new ATOM 0 HG SER A 7 2.330 -10.955 1.432 1.00 75.00 H new ATOM 122 N HIS A 8 4.766 -11.109 2.061 1.00 50.00 N ATOM 123 CA HIS A 8 5.668 -10.236 2.831 1.00 50.00 C ATOM 124 C HIS A 8 5.252 -10.281 4.312 1.00 50.00 C ATOM 125 O HIS A 8 4.103 -10.648 4.622 1.00 50.00 O ATOM 126 CB HIS A 8 5.601 -8.768 2.317 1.00 50.00 C ATOM 127 CG HIS A 8 6.091 -8.556 0.908 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.263 -7.304 0.367 1.00 75.00 N ATOM 129 CD2 HIS A 8 6.434 -9.428 -0.075 1.00 75.00 C ATOM 130 CE1 HIS A 8 6.682 -7.410 -0.867 1.00 75.00 C ATOM 131 NE2 HIS A 8 6.793 -8.686 -1.163 1.00 75.00 N ATOM 0 H HIS A 8 4.125 -10.594 1.457 1.00 50.00 H new ATOM 0 HA HIS A 8 6.692 -10.591 2.710 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.568 -8.425 2.380 1.00 50.00 H new ATOM 0 HB3 HIS A 8 6.187 -8.139 2.987 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.090 -6.425 0.855 1.00 75.00 H new ATOM 0 HD2 HIS A 8 6.425 -10.506 -0.008 1.00 75.00 H new ATOM 0 HE1 HIS A 8 6.900 -6.587 -1.532 1.00 75.00 H new ATOM 140 N MET A 9 6.179 -9.895 5.194 1.00 10.00 N ATOM 141 CA MET A 9 5.955 -9.875 6.646 1.00 10.00 C ATOM 142 C MET A 9 4.779 -8.945 7.019 1.00 10.00 C ATOM 143 O MET A 9 4.621 -7.862 6.438 1.00 50.00 O ATOM 144 CB MET A 9 7.255 -9.450 7.383 1.00 50.00 C ATOM 145 CG MET A 9 7.778 -8.041 7.029 1.00 50.00 C ATOM 146 SD MET A 9 9.318 -7.629 7.882 1.00 50.00 S ATOM 147 CE MET A 9 8.833 -7.727 9.608 1.00 75.00 C ATOM 0 H MET A 9 7.112 -9.586 4.921 1.00 10.00 H new ATOM 0 HA MET A 9 5.688 -10.883 6.965 1.00 10.00 H new ATOM 0 HB2 MET A 9 7.076 -9.495 8.457 1.00 50.00 H new ATOM 0 HB3 MET A 9 8.035 -10.177 7.159 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.936 -7.977 5.952 1.00 50.00 H new ATOM 0 HG3 MET A 9 7.018 -7.302 7.284 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.591 -7.246 10.227 1.00 75.00 H new ATOM 0 HE2 MET A 9 7.877 -7.222 9.747 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.736 -8.773 9.900 1.00 75.00 H new ATOM 157 N VAL A 10 3.935 -9.409 7.958 1.00 10.00 N ATOM 158 CA VAL A 10 2.837 -8.606 8.518 1.00 10.00 C ATOM 159 C VAL A 10 3.424 -7.389 9.280 1.00 10.00 C ATOM 160 O VAL A 10 4.305 -7.547 10.140 1.00 50.00 O ATOM 161 CB VAL A 10 1.909 -9.482 9.445 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.174 -10.570 8.621 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.707 -10.131 10.603 1.00 50.00 C ATOM 0 H VAL A 10 3.996 -10.349 8.348 1.00 10.00 H new ATOM 0 HA VAL A 10 2.212 -8.237 7.705 1.00 10.00 H new ATOM 0 HB VAL A 10 1.167 -8.815 9.883 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.540 -11.161 9.282 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.558 -10.094 7.858 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.906 -11.221 8.143 1.00 50.00 H new ATOM 0 HG21 VAL A 10 2.034 -10.726 11.220 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.487 -10.773 10.193 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.163 -9.351 11.213 1.00 50.00 H new ATOM 173 N GLY A 11 2.966 -6.184 8.912 1.00 10.00 N ATOM 174 CA GLY A 11 3.540 -4.938 9.422 1.00 10.00 C ATOM 175 C GLY A 11 4.342 -4.188 8.362 1.00 10.00 C ATOM 176 O GLY A 11 5.016 -3.201 8.696 1.00 50.00 O ATOM 0 H GLY A 11 2.194 -6.049 8.259 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.739 -4.296 9.789 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.185 -5.160 10.272 1.00 10.00 H new ATOM 180 N ASP A 12 4.273 -4.654 7.086 1.00 10.00 N ATOM 181 CA ASP A 12 5.100 -4.105 5.979 1.00 10.00 C ATOM 182 C ASP A 12 4.661 -2.657 5.663 1.00 10.00 C ATOM 183 O ASP A 12 3.559 -2.423 5.187 1.00 50.00 O ATOM 184 CB ASP A 12 4.985 -5.003 4.705 1.00 50.00 C ATOM 185 CG ASP A 12 5.933 -4.625 3.536 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.749 -3.684 3.656 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.864 -5.279 2.477 1.00 50.00 O ATOM 0 H ASP A 12 3.651 -5.410 6.799 1.00 10.00 H new ATOM 0 HA ASP A 12 6.144 -4.097 6.293 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.182 -6.036 4.991 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.957 -4.963 4.344 1.00 50.00 H new ATOM 192 N THR A 13 5.549 -1.699 5.925 1.00 10.00 N ATOM 193 CA THR A 13 5.243 -0.274 5.776 1.00 10.00 C ATOM 194 C THR A 13 5.288 0.155 4.296 1.00 10.00 C ATOM 195 O THR A 13 6.258 -0.117 3.590 1.00 50.00 O ATOM 196 CB THR A 13 6.221 0.564 6.639 1.00 50.00 C ATOM 197 OG1 THR A 13 6.079 0.165 8.019 1.00 50.00 O ATOM 198 CG2 THR A 13 5.986 2.083 6.507 1.00 50.00 C ATOM 0 H THR A 13 6.499 -1.886 6.246 1.00 10.00 H new ATOM 0 HA THR A 13 4.227 -0.094 6.129 1.00 10.00 H new ATOM 0 HB THR A 13 7.232 0.372 6.279 1.00 50.00 H new ATOM 0 HG1 THR A 13 5.963 0.961 8.579 1.00 50.00 H new ATOM 0 HG21 THR A 13 6.700 2.617 7.134 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.120 2.383 5.468 1.00 50.00 H new ATOM 0 HG23 THR A 13 4.972 2.323 6.826 1.00 50.00 H new ATOM 206 N VAL A 14 4.210 0.791 3.822 1.00 10.00 N ATOM 207 CA VAL A 14 4.116 1.343 2.458 1.00 10.00 C ATOM 208 C VAL A 14 3.420 2.704 2.501 1.00 10.00 C ATOM 209 O VAL A 14 3.068 3.216 3.571 1.00 50.00 O ATOM 210 CB VAL A 14 3.335 0.396 1.460 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.022 -0.982 1.316 1.00 50.00 C ATOM 212 CG2 VAL A 14 1.838 0.268 1.856 1.00 50.00 C ATOM 0 H VAL A 14 3.368 0.940 4.378 1.00 10.00 H new ATOM 0 HA VAL A 14 5.136 1.439 2.086 1.00 10.00 H new ATOM 0 HB VAL A 14 3.367 0.862 0.475 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.454 -1.601 0.622 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.034 -0.846 0.935 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.063 -1.472 2.289 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.330 -0.389 1.150 1.00 50.00 H new ATOM 0 HG22 VAL A 14 1.762 -0.149 2.860 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.371 1.253 1.836 1.00 50.00 H new ATOM 222 N TRP A 15 3.259 3.277 1.319 1.00 10.00 N ATOM 223 CA TRP A 15 2.439 4.450 1.067 1.00 10.00 C ATOM 224 C TRP A 15 1.304 4.054 0.120 1.00 10.00 C ATOM 225 O TRP A 15 1.421 3.071 -0.633 1.00 50.00 O ATOM 226 CB TRP A 15 3.290 5.594 0.440 1.00 50.00 C ATOM 227 CG TRP A 15 4.407 6.122 1.324 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.424 6.190 2.688 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.661 6.676 0.894 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.601 6.738 3.125 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.378 7.042 2.043 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.243 6.889 -0.349 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.646 7.609 1.985 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.504 7.453 -0.412 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.191 7.810 0.750 1.00 50.00 C ATOM 0 H TRP A 15 3.714 2.924 0.477 1.00 10.00 H new ATOM 0 HA TRP A 15 2.030 4.818 2.008 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.725 5.234 -0.493 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.628 6.421 0.185 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.622 5.858 3.331 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.856 6.894 4.100 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.718 6.618 -1.253 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.180 7.880 2.884 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 7.964 7.620 -1.375 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.172 8.254 0.670 1.00 50.00 H new ATOM 246 N VAL A 16 0.217 4.832 0.140 1.00 10.00 N ATOM 247 CA VAL A 16 -0.902 4.678 -0.782 1.00 10.00 C ATOM 248 C VAL A 16 -0.794 5.825 -1.791 1.00 10.00 C ATOM 249 O VAL A 16 -1.065 6.995 -1.467 1.00 50.00 O ATOM 250 CB VAL A 16 -2.300 4.710 -0.048 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.476 4.670 -1.066 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.412 3.541 0.964 1.00 50.00 C ATOM 0 H VAL A 16 0.093 5.594 0.807 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.849 3.705 -1.270 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.367 5.650 0.500 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.424 4.693 -0.528 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.413 5.533 -1.728 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.416 3.755 -1.656 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.382 3.580 1.459 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -2.312 2.592 0.437 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.621 3.627 1.709 1.00 50.00 H new ATOM 262 N ARG A 17 -0.314 5.459 -2.983 1.00 10.00 N ATOM 263 CA ARG A 17 -0.094 6.358 -4.108 1.00 10.00 C ATOM 264 C ARG A 17 -1.445 6.631 -4.800 1.00 10.00 C ATOM 265 O ARG A 17 -1.878 5.886 -5.690 1.00 50.00 O ATOM 266 CB ARG A 17 0.945 5.701 -5.058 1.00 50.00 C ATOM 267 CG ARG A 17 1.365 6.525 -6.290 1.00 50.00 C ATOM 268 CD ARG A 17 2.246 5.688 -7.237 1.00 50.00 C ATOM 269 NE ARG A 17 2.714 6.439 -8.411 1.00 50.00 N ATOM 270 CZ ARG A 17 2.909 5.918 -9.633 1.00 50.00 C ATOM 271 NH1 ARG A 17 2.662 4.630 -9.881 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.392 6.678 -10.604 1.00 75.00 N ATOM 0 H ARG A 17 -0.061 4.494 -3.193 1.00 10.00 H new ATOM 0 HA ARG A 17 0.305 7.320 -3.787 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.840 5.472 -4.479 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.538 4.751 -5.405 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.478 6.870 -6.822 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.910 7.413 -5.970 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.109 5.316 -6.685 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.682 4.818 -7.572 1.00 50.00 H new ATOM 0 HE ARG A 17 2.905 7.433 -8.288 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.319 4.024 -9.136 1.00 75.00 H new ATOM 0 HH12 ARG A 17 2.816 4.252 -10.816 1.00 75.00 H new ATOM 0 HH21 ARG A 17 3.615 7.657 -10.423 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.541 6.285 -11.533 1.00 75.00 H new ATOM 286 N ARG A 18 -2.120 7.692 -4.353 1.00 10.00 N ATOM 287 CA ARG A 18 -3.497 8.007 -4.744 1.00 10.00 C ATOM 288 C ARG A 18 -3.586 9.360 -5.485 1.00 10.00 C ATOM 289 O ARG A 18 -2.785 10.281 -5.251 1.00 50.00 O ATOM 290 CB ARG A 18 -4.400 7.999 -3.479 1.00 50.00 C ATOM 291 CG ARG A 18 -5.910 8.150 -3.776 1.00 50.00 C ATOM 292 CD ARG A 18 -6.782 8.072 -2.514 1.00 50.00 C ATOM 293 NE ARG A 18 -8.214 8.211 -2.835 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.011 9.232 -2.471 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.538 10.249 -1.750 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.287 9.211 -2.815 1.00 75.00 N ATOM 0 H ARG A 18 -1.721 8.366 -3.700 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.846 7.246 -5.442 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.239 7.067 -2.938 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.088 8.809 -2.819 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.083 9.105 -4.272 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.217 7.369 -4.472 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.612 7.120 -2.012 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.487 8.857 -1.818 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.640 7.464 -3.384 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -7.558 10.261 -1.466 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.156 11.015 -1.482 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.658 8.426 -3.351 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -10.901 9.979 -2.545 1.00 75.00 H new ATOM 310 N HIS A 19 -4.555 9.417 -6.415 1.00 50.00 N ATOM 311 CA HIS A 19 -4.992 10.628 -7.134 1.00 50.00 C ATOM 312 C HIS A 19 -6.194 10.236 -8.007 1.00 50.00 C ATOM 313 O HIS A 19 -6.267 9.088 -8.457 1.00 75.00 O ATOM 314 CB HIS A 19 -3.858 11.260 -8.007 1.00 75.00 C ATOM 315 CG HIS A 19 -3.386 10.416 -9.173 1.00 75.00 C ATOM 316 ND1 HIS A 19 -3.180 10.931 -10.430 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.046 9.100 -9.256 1.00 75.00 C ATOM 318 CE1 HIS A 19 -2.752 9.982 -11.230 1.00 75.00 C ATOM 319 NE2 HIS A 19 -2.659 8.865 -10.542 1.00 75.00 N ATOM 0 H HIS A 19 -5.077 8.588 -6.698 1.00 50.00 H new ATOM 0 HA HIS A 19 -5.264 11.393 -6.407 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -4.211 12.217 -8.393 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -3.003 11.471 -7.364 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -3.336 11.902 -10.700 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -3.077 8.378 -8.454 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -2.516 10.099 -12.277 1.00 75.00 H new ATOM 328 N GLN A 20 -7.138 11.157 -8.224 1.00 75.00 N ATOM 329 CA GLN A 20 -8.308 10.888 -9.080 1.00 75.00 C ATOM 330 C GLN A 20 -7.931 11.111 -10.553 1.00 75.00 C ATOM 331 O GLN A 20 -7.851 10.153 -11.338 1.00 75.00 O ATOM 332 CB GLN A 20 -9.517 11.773 -8.670 1.00 75.00 C ATOM 333 CG GLN A 20 -9.935 11.677 -7.189 1.00 75.00 C ATOM 334 CD GLN A 20 -10.121 10.241 -6.685 1.00 75.00 C ATOM 335 OE1 GLN A 20 -11.192 9.653 -6.815 1.00 75.00 O ATOM 336 NE2 GLN A 20 -9.091 9.684 -6.068 1.00 75.00 N ATOM 0 H GLN A 20 -7.119 12.094 -7.822 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.610 9.849 -8.948 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -9.278 12.812 -8.896 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -10.372 11.501 -9.289 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -9.181 12.171 -6.577 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -10.868 12.224 -7.049 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -8.214 10.197 -5.975 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -9.174 8.742 -5.685 1.00 75.00 H new ATOM 345 N THR A 21 -7.662 12.381 -10.895 1.00 75.00 N ATOM 346 CA THR A 21 -7.301 12.800 -12.253 1.00 75.00 C ATOM 347 C THR A 21 -5.806 12.552 -12.528 1.00 75.00 C ATOM 348 O THR A 21 -4.957 12.777 -11.658 1.00 75.00 O ATOM 349 CB THR A 21 -7.642 14.315 -12.464 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.138 15.085 -11.358 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.161 14.549 -12.611 1.00 75.00 C ATOM 0 H THR A 21 -7.690 13.152 -10.227 1.00 75.00 H new ATOM 0 HA THR A 21 -7.882 12.204 -12.956 1.00 75.00 H new ATOM 0 HB THR A 21 -7.165 14.636 -13.390 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.352 16.032 -11.494 1.00 75.00 H new ATOM 0 HG21 THR A 21 -9.353 15.612 -12.755 1.00 75.00 H new ATOM 0 HG22 THR A 21 -9.533 13.993 -13.471 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.671 14.207 -11.710 1.00 75.00 H new ATOM 359 N LYS A 22 -5.516 12.104 -13.761 1.00 75.00 N ATOM 360 CA LYS A 22 -4.150 11.821 -14.247 1.00 75.00 C ATOM 361 C LYS A 22 -3.398 13.131 -14.564 1.00 75.00 C ATOM 362 O LYS A 22 -2.163 13.137 -14.621 1.00 75.00 O ATOM 363 CB LYS A 22 -4.222 10.917 -15.506 1.00 75.00 C ATOM 364 CG LYS A 22 -4.982 9.585 -15.288 1.00 75.00 C ATOM 365 CD LYS A 22 -5.145 8.773 -16.595 1.00 75.00 C ATOM 366 CE LYS A 22 -6.017 7.518 -16.417 1.00 75.00 C ATOM 367 NZ LYS A 22 -7.399 7.858 -15.980 1.00 75.00 N ATOM 0 H LYS A 22 -6.235 11.924 -14.462 1.00 75.00 H new ATOM 0 HA LYS A 22 -3.599 11.300 -13.464 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -4.706 11.471 -16.310 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -3.208 10.694 -15.838 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -4.448 8.982 -14.554 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -5.966 9.797 -14.871 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -5.588 9.411 -17.360 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -4.161 8.477 -16.957 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -6.059 6.969 -17.358 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -5.556 6.857 -15.682 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -8.011 7.023 -16.083 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -7.385 8.156 -14.984 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -7.768 8.632 -16.568 1.00 75.00 H new ATOM 381 N ASN A 23 -4.166 14.227 -14.775 1.00 75.00 N ATOM 382 CA ASN A 23 -3.614 15.585 -14.968 1.00 75.00 C ATOM 383 C ASN A 23 -2.891 16.055 -13.693 1.00 50.00 C ATOM 384 O ASN A 23 -1.880 16.758 -13.771 1.00 50.00 O ATOM 385 CB ASN A 23 -4.726 16.606 -15.370 1.00 50.00 C ATOM 386 CG ASN A 23 -5.253 16.425 -16.798 1.00 75.00 C ATOM 387 OD1 ASN A 23 -5.303 15.315 -17.330 1.00 75.00 O ATOM 388 ND2 ASN A 23 -5.643 17.521 -17.436 1.00 75.00 N ATOM 0 H ASN A 23 -5.185 14.192 -14.816 1.00 75.00 H new ATOM 0 HA ASN A 23 -2.896 15.538 -15.787 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.558 16.514 -14.672 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -4.332 17.617 -15.265 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -5.995 17.457 -18.391 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.591 18.427 -16.971 1.00 75.00 H new ATOM 395 N LEU A 24 -3.421 15.663 -12.523 1.00 10.00 N ATOM 396 CA LEU A 24 -2.755 15.887 -11.232 1.00 50.00 C ATOM 397 C LEU A 24 -1.801 14.714 -10.941 1.00 50.00 C ATOM 398 O LEU A 24 -2.098 13.563 -11.299 1.00 50.00 O ATOM 399 CB LEU A 24 -3.801 16.060 -10.101 1.00 50.00 C ATOM 400 CG LEU A 24 -4.786 17.268 -10.261 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.721 17.399 -9.043 1.00 75.00 C ATOM 402 CD2 LEU A 24 -4.028 18.589 -10.534 1.00 75.00 C ATOM 0 H LEU A 24 -4.319 15.184 -12.446 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.172 16.807 -11.278 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.388 15.144 -10.032 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.270 16.171 -9.155 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.409 17.064 -11.132 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.391 18.247 -9.188 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.308 16.487 -8.935 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -5.126 17.556 -8.143 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.744 19.404 -10.639 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.356 18.801 -9.703 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.449 18.493 -11.453 1.00 75.00 H new ATOM 414 N GLU A 25 -0.666 15.036 -10.301 1.00 50.00 N ATOM 415 CA GLU A 25 0.403 14.070 -9.975 1.00 10.00 C ATOM 416 C GLU A 25 -0.121 12.945 -9.039 1.00 10.00 C ATOM 417 O GLU A 25 -1.036 13.188 -8.239 1.00 50.00 O ATOM 418 CB GLU A 25 1.596 14.810 -9.302 1.00 50.00 C ATOM 419 CG GLU A 25 2.210 15.946 -10.160 1.00 50.00 C ATOM 420 CD GLU A 25 3.323 16.725 -9.438 1.00 75.00 C ATOM 421 OE1 GLU A 25 3.012 17.592 -8.602 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.515 16.470 -9.685 1.00 75.00 O ATOM 0 H GLU A 25 -0.459 15.985 -9.990 1.00 50.00 H new ATOM 0 HA GLU A 25 0.739 13.607 -10.903 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.260 15.229 -8.353 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.375 14.083 -9.071 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.613 15.520 -11.079 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.421 16.640 -10.449 1.00 50.00 H new ATOM 429 N PRO A 26 0.410 11.686 -9.157 1.00 10.00 N ATOM 430 CA PRO A 26 0.144 10.622 -8.169 1.00 50.00 C ATOM 431 C PRO A 26 0.742 10.989 -6.797 1.00 10.00 C ATOM 432 O PRO A 26 1.963 10.936 -6.615 1.00 50.00 O ATOM 433 CB PRO A 26 0.807 9.354 -8.787 1.00 50.00 C ATOM 434 CG PRO A 26 1.057 9.700 -10.232 1.00 50.00 C ATOM 435 CD PRO A 26 1.273 11.194 -10.263 1.00 50.00 C ATOM 0 HA PRO A 26 -0.918 10.467 -7.981 1.00 50.00 H new ATOM 0 HB2 PRO A 26 1.737 9.107 -8.275 1.00 50.00 H new ATOM 0 HB3 PRO A 26 0.154 8.486 -8.698 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.929 9.170 -10.616 1.00 50.00 H new ATOM 0 HG3 PRO A 26 0.210 9.414 -10.855 1.00 50.00 H new ATOM 0 HD2 PRO A 26 2.320 11.453 -10.102 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.982 11.623 -11.222 1.00 50.00 H new ATOM 443 N ARG A 27 -0.125 11.403 -5.865 1.00 10.00 N ATOM 444 CA ARG A 27 0.274 11.787 -4.495 1.00 10.00 C ATOM 445 C ARG A 27 0.378 10.508 -3.654 1.00 10.00 C ATOM 446 O ARG A 27 -0.100 9.469 -4.083 1.00 50.00 O ATOM 447 CB ARG A 27 -0.770 12.782 -3.911 1.00 50.00 C ATOM 448 CG ARG A 27 -0.408 13.391 -2.532 1.00 50.00 C ATOM 449 CD ARG A 27 -1.385 14.477 -2.070 1.00 50.00 C ATOM 450 NE ARG A 27 -1.008 15.012 -0.745 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.044 16.301 -0.371 1.00 75.00 C ATOM 452 NH1 ARG A 27 -1.441 17.253 -1.218 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.668 16.626 0.856 1.00 75.00 N ATOM 0 H ARG A 27 -1.128 11.483 -6.035 1.00 10.00 H new ATOM 0 HA ARG A 27 1.241 12.290 -4.491 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.910 13.595 -4.623 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.727 12.268 -3.822 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.382 12.595 -1.787 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.596 13.813 -2.582 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.403 15.287 -2.799 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -2.394 14.066 -2.025 1.00 50.00 H new ATOM 0 HE ARG A 27 -0.690 14.338 -0.048 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -1.723 17.006 -2.167 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -1.462 18.227 -0.917 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -0.356 15.901 1.503 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -0.690 17.601 1.155 1.00 75.00 H new ATOM 467 N TRP A 28 1.018 10.561 -2.482 1.00 10.00 N ATOM 468 CA TRP A 28 1.065 9.412 -1.562 1.00 10.00 C ATOM 469 C TRP A 28 0.681 9.842 -0.149 1.00 10.00 C ATOM 470 O TRP A 28 0.815 11.017 0.213 1.00 50.00 O ATOM 471 CB TRP A 28 2.461 8.715 -1.579 1.00 50.00 C ATOM 472 CG TRP A 28 3.638 9.610 -1.233 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.488 10.211 -2.112 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.106 9.985 0.083 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.434 10.939 -1.439 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.223 10.815 -0.095 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.681 9.703 1.390 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.920 11.360 0.968 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.372 10.245 2.449 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.482 11.069 2.230 1.00 50.00 C ATOM 0 H TRP A 28 1.512 11.387 -2.144 1.00 10.00 H new ATOM 0 HA TRP A 28 0.337 8.679 -1.908 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.441 7.881 -0.877 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.626 8.293 -2.570 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.425 10.126 -3.187 1.00 50.00 H new ATOM 0 HE1 TRP A 28 6.177 11.486 -1.873 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.824 9.069 1.562 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.780 11.993 0.807 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.055 10.033 3.459 1.00 50.00 H new ATOM 0 HH2 TRP A 28 6.005 11.485 3.078 1.00 50.00 H new ATOM 491 N LYS A 29 0.166 8.881 0.626 1.00 10.00 N ATOM 492 CA LYS A 29 -0.052 9.025 2.077 1.00 10.00 C ATOM 493 C LYS A 29 0.629 7.855 2.795 1.00 10.00 C ATOM 494 O LYS A 29 0.679 6.758 2.248 1.00 50.00 O ATOM 495 CB LYS A 29 -1.561 9.034 2.416 1.00 50.00 C ATOM 496 CG LYS A 29 -2.369 10.184 1.772 1.00 50.00 C ATOM 497 CD LYS A 29 -3.817 10.263 2.311 1.00 50.00 C ATOM 498 CE LYS A 29 -4.640 8.991 2.033 1.00 50.00 C ATOM 499 NZ LYS A 29 -5.959 9.036 2.704 1.00 75.00 N ATOM 0 H LYS A 29 -0.115 7.970 0.263 1.00 10.00 H new ATOM 0 HA LYS A 29 0.373 9.973 2.406 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.994 8.085 2.101 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.674 9.092 3.499 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.862 11.130 1.961 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.394 10.046 0.691 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.788 10.441 3.386 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.319 11.119 1.860 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.782 8.877 0.958 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.087 8.117 2.376 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -6.485 8.164 2.494 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -5.823 9.120 3.732 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -6.497 9.856 2.358 1.00 75.00 H new ATOM 513 N GLY A 30 1.121 8.077 4.017 1.00 10.00 N ATOM 514 CA GLY A 30 1.742 7.011 4.800 1.00 10.00 C ATOM 515 C GLY A 30 1.887 7.381 6.272 1.00 10.00 C ATOM 516 O GLY A 30 1.428 8.454 6.679 1.00 50.00 O ATOM 0 H GLY A 30 1.100 8.984 4.483 1.00 10.00 H new ATOM 0 HA2 GLY A 30 1.144 6.104 4.713 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.725 6.785 4.386 1.00 10.00 H new ATOM 520 N PRO A 31 2.519 6.502 7.119 1.00 10.00 N ATOM 521 CA PRO A 31 2.988 5.141 6.732 1.00 10.00 C ATOM 522 C PRO A 31 1.928 4.029 7.025 1.00 10.00 C ATOM 523 O PRO A 31 1.547 3.795 8.180 1.00 50.00 O ATOM 524 CB PRO A 31 4.247 4.998 7.619 1.00 50.00 C ATOM 525 CG PRO A 31 3.918 5.739 8.896 1.00 50.00 C ATOM 526 CD PRO A 31 2.881 6.810 8.531 1.00 50.00 C ATOM 0 HA PRO A 31 3.175 5.026 5.664 1.00 10.00 H new ATOM 0 HB2 PRO A 31 4.471 3.950 7.818 1.00 50.00 H new ATOM 0 HB3 PRO A 31 5.123 5.424 7.131 1.00 50.00 H new ATOM 0 HG2 PRO A 31 3.521 5.057 9.648 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.813 6.195 9.320 1.00 50.00 H new ATOM 0 HD2 PRO A 31 2.010 6.761 9.185 1.00 50.00 H new ATOM 0 HD3 PRO A 31 3.295 7.814 8.626 1.00 50.00 H new ATOM 534 N TYR A 32 1.430 3.376 5.959 1.00 10.00 N ATOM 535 CA TYR A 32 0.408 2.306 6.052 1.00 10.00 C ATOM 536 C TYR A 32 1.037 0.937 6.331 1.00 10.00 C ATOM 537 O TYR A 32 2.188 0.695 5.988 1.00 50.00 O ATOM 538 CB TYR A 32 -0.454 2.265 4.761 1.00 50.00 C ATOM 539 CG TYR A 32 -1.416 3.453 4.637 1.00 50.00 C ATOM 540 CD1 TYR A 32 -0.967 4.703 4.236 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.773 3.320 4.935 1.00 50.00 C ATOM 542 CE1 TYR A 32 -1.828 5.776 4.146 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.634 4.397 4.845 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.156 5.621 4.444 1.00 50.00 C ATOM 545 OH TYR A 32 -4.011 6.697 4.355 1.00 50.00 O ATOM 0 H TYR A 32 1.724 3.573 5.002 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.239 2.541 6.897 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.205 2.247 3.893 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -1.028 1.338 4.745 1.00 50.00 H new ATOM 0 HD1 TYR A 32 0.076 4.838 3.990 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.157 2.358 5.241 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.454 6.742 3.840 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.679 4.277 5.089 1.00 50.00 H new ATOM 0 HH TYR A 32 -4.917 6.416 4.599 1.00 50.00 H new ATOM 555 N THR A 33 0.240 0.055 6.950 1.00 10.00 N ATOM 556 CA THR A 33 0.653 -1.287 7.379 1.00 10.00 C ATOM 557 C THR A 33 0.027 -2.354 6.463 1.00 10.00 C ATOM 558 O THR A 33 -1.190 -2.467 6.399 1.00 50.00 O ATOM 559 CB THR A 33 0.202 -1.516 8.860 1.00 50.00 C ATOM 560 OG1 THR A 33 0.831 -0.546 9.717 1.00 50.00 O ATOM 561 CG2 THR A 33 0.509 -2.932 9.378 1.00 50.00 C ATOM 0 H THR A 33 -0.734 0.261 7.171 1.00 10.00 H new ATOM 0 HA THR A 33 1.738 -1.370 7.313 1.00 10.00 H new ATOM 0 HB THR A 33 -0.882 -1.399 8.877 1.00 50.00 H new ATOM 0 HG1 THR A 33 0.544 -0.692 10.643 1.00 50.00 H new ATOM 0 HG21 THR A 33 0.171 -3.023 10.410 1.00 50.00 H new ATOM 0 HG22 THR A 33 -0.009 -3.666 8.760 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.583 -3.112 9.331 1.00 50.00 H new ATOM 569 N VAL A 34 0.870 -3.121 5.758 1.00 10.00 N ATOM 570 CA VAL A 34 0.444 -4.235 4.884 1.00 10.00 C ATOM 571 C VAL A 34 0.526 -5.550 5.667 1.00 10.00 C ATOM 572 O VAL A 34 1.513 -5.795 6.387 1.00 50.00 O ATOM 573 CB VAL A 34 1.328 -4.350 3.586 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.829 -5.464 2.636 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.406 -3.007 2.846 1.00 50.00 C ATOM 0 H VAL A 34 1.881 -2.988 5.775 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.580 -4.034 4.569 1.00 10.00 H new ATOM 0 HB VAL A 34 2.331 -4.624 3.913 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.470 -5.505 1.755 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.860 -6.423 3.152 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.195 -5.250 2.330 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.023 -3.118 1.954 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.403 -2.692 2.557 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.847 -2.256 3.501 1.00 50.00 H new ATOM 585 N LEU A 35 -0.512 -6.389 5.515 1.00 10.00 N ATOM 586 CA LEU A 35 -0.637 -7.672 6.224 1.00 10.00 C ATOM 587 C LEU A 35 -0.491 -8.852 5.244 1.00 10.00 C ATOM 588 O LEU A 35 -0.043 -9.936 5.636 1.00 50.00 O ATOM 589 CB LEU A 35 -2.003 -7.722 6.957 1.00 50.00 C ATOM 590 CG LEU A 35 -2.252 -6.578 7.997 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.657 -6.691 8.625 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.149 -6.557 9.082 1.00 50.00 C ATOM 0 H LEU A 35 -1.295 -6.193 4.891 1.00 10.00 H new ATOM 0 HA LEU A 35 0.162 -7.756 6.960 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.797 -7.690 6.211 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.085 -8.680 7.470 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.206 -5.629 7.463 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -3.801 -5.883 9.343 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.412 -6.619 7.842 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.752 -7.650 9.134 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.350 -5.752 9.789 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.140 -7.510 9.610 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.179 -6.394 8.612 1.00 50.00 H new ATOM 604 N LEU A 36 -0.872 -8.630 3.971 1.00 10.00 N ATOM 605 CA LEU A 36 -0.828 -9.689 2.934 1.00 10.00 C ATOM 606 C LEU A 36 -0.503 -9.064 1.565 1.00 10.00 C ATOM 607 O LEU A 36 -0.924 -7.947 1.278 1.00 50.00 O ATOM 608 CB LEU A 36 -2.188 -10.446 2.901 1.00 50.00 C ATOM 609 CG LEU A 36 -2.319 -11.636 1.886 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.417 -12.819 2.289 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.787 -12.079 1.727 1.00 50.00 C ATOM 0 H LEU A 36 -1.213 -7.730 3.633 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.044 -10.407 3.173 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.385 -10.831 3.901 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -2.972 -9.723 2.678 1.00 50.00 H new ATOM 0 HG LEU A 36 -1.977 -11.278 0.915 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.531 -13.626 1.566 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.377 -12.493 2.308 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.704 -13.175 3.278 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.843 -12.905 1.017 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.176 -12.403 2.692 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.381 -11.243 1.359 1.00 50.00 H new ATOM 623 N THR A 37 0.262 -9.789 0.732 1.00 10.00 N ATOM 624 CA THR A 37 0.673 -9.338 -0.612 1.00 10.00 C ATOM 625 C THR A 37 0.427 -10.460 -1.630 1.00 10.00 C ATOM 626 O THR A 37 0.847 -11.600 -1.403 1.00 50.00 O ATOM 627 CB THR A 37 2.193 -8.921 -0.642 1.00 50.00 C ATOM 628 OG1 THR A 37 3.011 -9.981 -0.114 1.00 50.00 O ATOM 629 CG2 THR A 37 2.461 -7.628 0.154 1.00 50.00 C ATOM 0 H THR A 37 0.617 -10.714 0.973 1.00 10.00 H new ATOM 0 HA THR A 37 0.077 -8.463 -0.871 1.00 10.00 H new ATOM 0 HB THR A 37 2.450 -8.733 -1.685 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.828 -10.062 -0.650 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.522 -7.383 0.103 1.00 50.00 H new ATOM 0 HG22 THR A 37 1.879 -6.811 -0.272 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.172 -7.775 1.195 1.00 50.00 H new ATOM 637 N THR A 38 -0.266 -10.129 -2.734 1.00 10.00 N ATOM 638 CA THR A 38 -0.484 -11.042 -3.872 1.00 10.00 C ATOM 639 C THR A 38 -0.213 -10.279 -5.200 1.00 10.00 C ATOM 640 O THR A 38 -0.219 -9.035 -5.204 1.00 50.00 O ATOM 641 CB THR A 38 -1.948 -11.645 -3.851 1.00 50.00 C ATOM 642 OG1 THR A 38 -2.924 -10.599 -3.771 1.00 50.00 O ATOM 643 CG2 THR A 38 -2.172 -12.631 -2.682 1.00 50.00 C ATOM 0 H THR A 38 -0.695 -9.212 -2.863 1.00 10.00 H new ATOM 0 HA THR A 38 0.209 -11.880 -3.793 1.00 10.00 H new ATOM 0 HB THR A 38 -2.063 -12.197 -4.784 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.487 -9.733 -3.910 1.00 50.00 H new ATOM 0 HG21 THR A 38 -3.192 -13.012 -2.718 1.00 50.00 H new ATOM 0 HG22 THR A 38 -1.471 -13.461 -2.767 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.011 -12.116 -1.735 1.00 50.00 H new ATOM 651 N PRO A 39 0.087 -11.005 -6.341 1.00 10.00 N ATOM 652 CA PRO A 39 0.268 -10.382 -7.682 1.00 10.00 C ATOM 653 C PRO A 39 -0.865 -9.396 -8.042 1.00 10.00 C ATOM 654 O PRO A 39 -2.048 -9.749 -7.936 1.00 50.00 O ATOM 655 CB PRO A 39 0.279 -11.604 -8.642 1.00 50.00 C ATOM 656 CG PRO A 39 0.850 -12.714 -7.809 1.00 50.00 C ATOM 657 CD PRO A 39 0.316 -12.485 -6.401 1.00 50.00 C ATOM 0 HA PRO A 39 1.173 -9.777 -7.735 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -0.724 -11.844 -8.994 1.00 50.00 H new ATOM 0 HB3 PRO A 39 0.889 -11.413 -9.525 1.00 50.00 H new ATOM 0 HG2 PRO A 39 0.544 -13.688 -8.191 1.00 50.00 H new ATOM 0 HG3 PRO A 39 1.940 -12.694 -7.823 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -0.606 -13.040 -6.228 1.00 50.00 H new ATOM 0 HD3 PRO A 39 1.030 -12.810 -5.645 1.00 50.00 H new ATOM 665 N THR A 40 -0.467 -8.143 -8.370 1.00 10.00 N ATOM 666 CA THR A 40 -1.360 -7.057 -8.838 1.00 10.00 C ATOM 667 C THR A 40 -2.208 -6.428 -7.688 1.00 10.00 C ATOM 668 O THR A 40 -2.743 -5.327 -7.851 1.00 50.00 O ATOM 669 CB THR A 40 -2.261 -7.537 -10.051 1.00 50.00 C ATOM 670 OG1 THR A 40 -1.418 -8.115 -11.070 1.00 50.00 O ATOM 671 CG2 THR A 40 -3.098 -6.420 -10.696 1.00 50.00 C ATOM 0 H THR A 40 0.509 -7.853 -8.315 1.00 10.00 H new ATOM 0 HA THR A 40 -0.716 -6.256 -9.202 1.00 10.00 H new ATOM 0 HB THR A 40 -2.962 -8.261 -9.636 1.00 50.00 H new ATOM 0 HG1 THR A 40 -1.971 -8.415 -11.821 1.00 50.00 H new ATOM 0 HG21 THR A 40 -3.685 -6.833 -11.517 1.00 50.00 H new ATOM 0 HG22 THR A 40 -3.768 -5.991 -9.951 1.00 50.00 H new ATOM 0 HG23 THR A 40 -2.435 -5.643 -11.078 1.00 50.00 H new ATOM 679 N ALA A 41 -2.277 -7.081 -6.496 1.00 10.00 N ATOM 680 CA ALA A 41 -3.187 -6.648 -5.407 1.00 10.00 C ATOM 681 C ALA A 41 -2.536 -6.873 -4.034 1.00 10.00 C ATOM 682 O ALA A 41 -2.177 -7.993 -3.690 1.00 50.00 O ATOM 683 CB ALA A 41 -4.514 -7.420 -5.517 1.00 50.00 C ATOM 0 H ALA A 41 -1.717 -7.903 -6.269 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.386 -5.581 -5.507 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.186 -7.105 -4.718 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.976 -7.214 -6.482 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.321 -8.489 -5.428 1.00 50.00 H new ATOM 689 N LEU A 42 -2.393 -5.807 -3.241 1.00 10.00 N ATOM 690 CA LEU A 42 -1.753 -5.865 -1.915 1.00 10.00 C ATOM 691 C LEU A 42 -2.793 -5.541 -0.834 1.00 10.00 C ATOM 692 O LEU A 42 -3.415 -4.475 -0.872 1.00 50.00 O ATOM 693 CB LEU A 42 -0.557 -4.866 -1.835 1.00 50.00 C ATOM 694 CG LEU A 42 0.523 -4.977 -2.969 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.731 -4.070 -2.686 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.975 -6.433 -3.195 1.00 50.00 C ATOM 0 H LEU A 42 -2.717 -4.875 -3.498 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.363 -6.870 -1.752 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.958 -3.852 -1.843 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.060 -5.005 -0.875 1.00 50.00 H new ATOM 0 HG LEU A 42 0.049 -4.633 -3.889 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.459 -4.172 -3.491 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.401 -3.033 -2.624 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.191 -4.361 -1.742 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.722 -6.463 -3.988 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.406 -6.827 -2.275 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.116 -7.040 -3.482 1.00 50.00 H new ATOM 708 N LYS A 43 -2.968 -6.457 0.128 1.00 10.00 N ATOM 709 CA LYS A 43 -3.906 -6.273 1.237 1.00 10.00 C ATOM 710 C LYS A 43 -3.222 -5.464 2.350 1.00 10.00 C ATOM 711 O LYS A 43 -2.340 -5.969 3.084 1.00 50.00 O ATOM 712 CB LYS A 43 -4.389 -7.642 1.777 1.00 50.00 C ATOM 713 CG LYS A 43 -5.247 -7.556 3.062 1.00 50.00 C ATOM 714 CD LYS A 43 -5.723 -8.934 3.560 1.00 50.00 C ATOM 715 CE LYS A 43 -6.540 -8.832 4.859 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.700 -7.914 4.716 1.00 75.00 N ATOM 0 H LYS A 43 -2.464 -7.343 0.157 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.780 -5.728 0.881 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.969 -8.141 1.000 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.519 -8.267 1.977 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -4.667 -7.072 3.848 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.115 -6.925 2.871 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.329 -9.408 2.788 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -4.859 -9.577 3.726 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.895 -9.823 5.143 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -5.897 -8.480 5.665 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.317 -8.002 5.549 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -7.360 -6.934 4.639 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -8.236 -8.163 3.860 1.00 75.00 H new ATOM 730 N VAL A 44 -3.661 -4.207 2.455 1.00 10.00 N ATOM 731 CA VAL A 44 -3.231 -3.254 3.476 1.00 10.00 C ATOM 732 C VAL A 44 -4.332 -3.177 4.551 1.00 10.00 C ATOM 733 O VAL A 44 -5.523 -3.282 4.221 1.00 50.00 O ATOM 734 CB VAL A 44 -2.986 -1.826 2.833 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.392 -0.831 3.858 1.00 50.00 C ATOM 736 CG2 VAL A 44 -2.096 -1.921 1.560 1.00 50.00 C ATOM 0 H VAL A 44 -4.347 -3.814 1.810 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.292 -3.582 3.923 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.959 -1.439 2.529 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.238 0.136 3.379 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.081 -0.716 4.695 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.438 -1.211 4.223 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.948 -0.924 1.144 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.130 -2.352 1.823 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.586 -2.554 0.820 1.00 50.00 H new ATOM 746 N ASP A 45 -3.937 -3.044 5.823 1.00 10.00 N ATOM 747 CA ASP A 45 -4.871 -2.850 6.947 1.00 10.00 C ATOM 748 C ASP A 45 -5.687 -1.558 6.746 1.00 10.00 C ATOM 749 O ASP A 45 -5.132 -0.534 6.337 1.00 50.00 O ATOM 750 CB ASP A 45 -4.090 -2.791 8.284 1.00 50.00 C ATOM 751 CG ASP A 45 -5.001 -2.610 9.519 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.684 -3.577 9.904 1.00 50.00 O ATOM 753 OD2 ASP A 45 -5.041 -1.501 10.100 1.00 50.00 O ATOM 0 H ASP A 45 -2.957 -3.068 6.106 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.560 -3.694 6.981 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.512 -3.708 8.399 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.377 -1.968 8.244 1.00 50.00 H new ATOM 758 N GLY A 46 -7.003 -1.637 7.014 1.00 10.00 N ATOM 759 CA GLY A 46 -7.921 -0.503 6.844 1.00 10.00 C ATOM 760 C GLY A 46 -8.690 -0.548 5.528 1.00 10.00 C ATOM 761 O GLY A 46 -9.778 0.031 5.426 1.00 50.00 O ATOM 0 H GLY A 46 -7.456 -2.486 7.353 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.630 -0.490 7.672 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -7.354 0.427 6.895 1.00 10.00 H new ATOM 765 N ILE A 47 -8.125 -1.239 4.526 1.00 10.00 N ATOM 766 CA ILE A 47 -8.685 -1.303 3.159 1.00 10.00 C ATOM 767 C ILE A 47 -9.815 -2.359 3.078 1.00 10.00 C ATOM 768 O ILE A 47 -9.836 -3.308 3.877 1.00 50.00 O ATOM 769 CB ILE A 47 -7.532 -1.615 2.124 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.404 -0.536 2.233 1.00 50.00 C ATOM 771 CG2 ILE A 47 -8.047 -1.728 0.665 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.850 0.899 1.986 1.00 50.00 C ATOM 0 H ILE A 47 -7.263 -1.773 4.637 1.00 10.00 H new ATOM 0 HA ILE A 47 -9.123 -0.337 2.908 1.00 10.00 H new ATOM 0 HB ILE A 47 -7.123 -2.592 2.383 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.962 -0.596 3.228 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.618 -0.783 1.519 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -7.211 -1.943 -0.000 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.779 -2.532 0.599 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.513 -0.788 0.370 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.995 1.568 2.085 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.263 0.984 0.981 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.612 1.174 2.715 1.00 50.00 H new ATOM 784 N ALA A 48 -10.751 -2.150 2.109 1.00 10.00 N ATOM 785 CA ALA A 48 -11.910 -3.029 1.844 1.00 10.00 C ATOM 786 C ALA A 48 -11.476 -4.494 1.687 1.00 10.00 C ATOM 787 O ALA A 48 -12.030 -5.381 2.340 1.00 50.00 O ATOM 788 CB ALA A 48 -12.662 -2.537 0.588 1.00 50.00 C ATOM 0 H ALA A 48 -10.713 -1.347 1.481 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.584 -2.982 2.700 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.515 -3.188 0.397 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -13.012 -1.518 0.750 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.990 -2.558 -0.270 1.00 50.00 H new ATOM 794 N ALA A 49 -10.476 -4.727 0.817 1.00 10.00 N ATOM 795 CA ALA A 49 -9.789 -6.021 0.729 1.00 10.00 C ATOM 796 C ALA A 49 -8.346 -5.833 0.228 1.00 10.00 C ATOM 797 O ALA A 49 -7.394 -6.236 0.901 1.00 50.00 O ATOM 798 CB ALA A 49 -10.573 -6.996 -0.166 1.00 50.00 C ATOM 0 H ALA A 49 -10.127 -4.028 0.162 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.742 -6.457 1.727 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.045 -7.948 -0.217 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.567 -7.154 0.252 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.663 -6.577 -1.168 1.00 50.00 H new ATOM 804 N TRP A 50 -8.193 -5.198 -0.956 1.00 10.00 N ATOM 805 CA TRP A 50 -6.868 -5.007 -1.606 1.00 10.00 C ATOM 806 C TRP A 50 -6.774 -3.619 -2.264 1.00 10.00 C ATOM 807 O TRP A 50 -7.797 -2.996 -2.578 1.00 50.00 O ATOM 808 CB TRP A 50 -6.598 -6.086 -2.703 1.00 50.00 C ATOM 809 CG TRP A 50 -6.822 -7.519 -2.274 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.986 -8.311 -1.530 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.957 -8.342 -2.606 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.551 -9.552 -1.352 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.757 -9.596 -2.006 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.129 -8.126 -3.343 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.681 -10.631 -2.116 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.044 -9.156 -3.454 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.816 -10.394 -2.841 1.00 50.00 C ATOM 0 H TRP A 50 -8.972 -4.806 -1.486 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.121 -5.101 -0.818 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.239 -5.877 -3.560 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.568 -5.983 -3.043 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -5.026 -8.005 -1.141 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -6.139 -10.318 -0.819 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.314 -7.173 -3.815 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -8.508 -11.588 -1.645 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.949 -9.003 -4.023 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.552 -11.178 -2.943 1.00 50.00 H new ATOM 828 N ILE A 51 -5.530 -3.153 -2.448 1.00 10.00 N ATOM 829 CA ILE A 51 -5.182 -1.994 -3.285 1.00 10.00 C ATOM 830 C ILE A 51 -4.370 -2.504 -4.490 1.00 10.00 C ATOM 831 O ILE A 51 -3.427 -3.281 -4.311 1.00 50.00 O ATOM 832 CB ILE A 51 -4.341 -0.916 -2.478 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.206 -0.256 -1.363 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.737 0.171 -3.406 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.388 0.553 -1.876 1.00 50.00 C ATOM 0 H ILE A 51 -4.716 -3.583 -2.008 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.098 -1.503 -3.614 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.511 -1.447 -2.012 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.577 -1.037 -0.699 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.569 0.395 -0.764 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.171 0.886 -2.809 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -3.075 -0.299 -4.134 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.540 0.691 -3.928 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.933 0.976 -1.032 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.027 1.359 -2.515 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.051 -0.095 -2.449 1.00 50.00 H new ATOM 847 N HIS A 52 -4.755 -2.081 -5.708 1.00 10.00 N ATOM 848 CA HIS A 52 -4.004 -2.385 -6.940 1.00 10.00 C ATOM 849 C HIS A 52 -2.563 -1.843 -6.789 1.00 10.00 C ATOM 850 O HIS A 52 -2.394 -0.674 -6.447 1.00 50.00 O ATOM 851 CB HIS A 52 -4.737 -1.766 -8.160 1.00 50.00 C ATOM 852 CG HIS A 52 -4.166 -2.123 -9.508 1.00 50.00 C ATOM 853 ND1 HIS A 52 -3.101 -1.459 -10.081 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.524 -3.081 -10.396 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.835 -1.995 -11.256 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.682 -2.974 -11.467 1.00 50.00 N ATOM 0 H HIS A 52 -5.593 -1.521 -5.866 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.948 -3.461 -7.106 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.781 -2.079 -8.132 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.727 -0.681 -8.056 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.325 -3.796 -10.279 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.052 -1.681 -11.931 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.708 -3.563 -12.299 1.00 50.00 H new ATOM 865 N ALA A 53 -1.557 -2.710 -7.047 1.00 10.00 N ATOM 866 CA ALA A 53 -0.144 -2.508 -6.634 1.00 10.00 C ATOM 867 C ALA A 53 0.502 -1.217 -7.184 1.00 10.00 C ATOM 868 O ALA A 53 1.443 -0.698 -6.581 1.00 50.00 O ATOM 869 CB ALA A 53 0.688 -3.754 -7.003 1.00 50.00 C ATOM 0 H ALA A 53 -1.703 -3.582 -7.555 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.152 -2.374 -5.552 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.724 -3.603 -6.699 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.283 -4.627 -6.491 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.646 -3.914 -8.080 1.00 50.00 H new ATOM 875 N ALA A 54 -0.031 -0.686 -8.299 1.00 10.00 N ATOM 876 CA ALA A 54 0.467 0.572 -8.910 1.00 10.00 C ATOM 877 C ALA A 54 0.079 1.822 -8.071 1.00 10.00 C ATOM 878 O ALA A 54 0.622 2.915 -8.272 1.00 50.00 O ATOM 879 CB ALA A 54 -0.061 0.683 -10.344 1.00 50.00 C ATOM 0 H ALA A 54 -0.812 -1.107 -8.802 1.00 10.00 H new ATOM 0 HA ALA A 54 1.556 0.538 -8.928 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.303 1.606 -10.795 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.289 -0.169 -10.927 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -1.151 0.691 -10.331 1.00 50.00 H new ATOM 885 N HIS A 55 -0.874 1.640 -7.146 1.00 10.00 N ATOM 886 CA HIS A 55 -1.283 2.656 -6.148 1.00 10.00 C ATOM 887 C HIS A 55 -0.630 2.366 -4.784 1.00 10.00 C ATOM 888 O HIS A 55 -1.109 2.828 -3.745 1.00 50.00 O ATOM 889 CB HIS A 55 -2.833 2.686 -5.998 1.00 50.00 C ATOM 890 CG HIS A 55 -3.557 3.133 -7.231 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.605 4.452 -7.636 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.259 2.439 -8.152 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.299 4.542 -8.749 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.707 3.335 -9.081 1.00 50.00 N ATOM 0 H HIS A 55 -1.396 0.768 -7.063 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.946 3.631 -6.500 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -3.181 1.689 -5.726 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -3.095 3.350 -5.175 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -3.170 5.235 -7.148 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.434 1.373 -8.154 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.500 5.451 -9.297 1.00 50.00 H new ATOM 903 N VAL A 56 0.471 1.601 -4.795 1.00 10.00 N ATOM 904 CA VAL A 56 1.274 1.315 -3.597 1.00 10.00 C ATOM 905 C VAL A 56 2.731 1.707 -3.875 1.00 10.00 C ATOM 906 O VAL A 56 3.275 1.346 -4.922 1.00 50.00 O ATOM 907 CB VAL A 56 1.210 -0.209 -3.196 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.058 -0.490 -1.932 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.250 -0.688 -2.998 1.00 50.00 C ATOM 0 H VAL A 56 0.832 1.160 -5.641 1.00 10.00 H new ATOM 0 HA VAL A 56 0.868 1.893 -2.767 1.00 10.00 H new ATOM 0 HB VAL A 56 1.634 -0.779 -4.023 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.995 -1.548 -1.679 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.097 -0.224 -2.125 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.680 0.105 -1.100 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.253 -1.743 -2.723 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.720 -0.105 -2.206 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.806 -0.554 -3.926 1.00 50.00 H new ATOM 919 N LYS A 57 3.352 2.427 -2.934 1.00 10.00 N ATOM 920 CA LYS A 57 4.763 2.823 -3.022 1.00 10.00 C ATOM 921 C LYS A 57 5.458 2.446 -1.701 1.00 10.00 C ATOM 922 O LYS A 57 5.192 3.069 -0.678 1.00 50.00 O ATOM 923 CB LYS A 57 4.861 4.348 -3.312 1.00 50.00 C ATOM 924 CG LYS A 57 6.308 4.875 -3.478 1.00 50.00 C ATOM 925 CD LYS A 57 6.385 6.380 -3.822 1.00 50.00 C ATOM 926 CE LYS A 57 5.769 6.727 -5.185 1.00 50.00 C ATOM 927 NZ LYS A 57 5.953 8.166 -5.509 1.00 75.00 N ATOM 0 H LYS A 57 2.888 2.753 -2.086 1.00 10.00 H new ATOM 0 HA LYS A 57 5.262 2.302 -3.839 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.300 4.570 -4.220 1.00 50.00 H new ATOM 0 HB3 LYS A 57 4.380 4.892 -2.499 1.00 50.00 H new ATOM 0 HG2 LYS A 57 6.860 4.693 -2.556 1.00 50.00 H new ATOM 0 HG3 LYS A 57 6.805 4.306 -4.264 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.874 6.949 -3.045 1.00 50.00 H new ATOM 0 HD3 LYS A 57 7.429 6.694 -3.813 1.00 50.00 H new ATOM 0 HE2 LYS A 57 6.229 6.115 -5.961 1.00 50.00 H new ATOM 0 HE3 LYS A 57 4.706 6.486 -5.178 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 5.527 8.371 -6.435 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 5.493 8.748 -4.780 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 6.969 8.388 -5.539 1.00 75.00 H new ATOM 941 N ALA A 58 6.347 1.433 -1.742 1.00 10.00 N ATOM 942 CA ALA A 58 6.986 0.838 -0.542 1.00 10.00 C ATOM 943 C ALA A 58 7.751 1.887 0.293 1.00 10.00 C ATOM 944 O ALA A 58 8.532 2.677 -0.252 1.00 50.00 O ATOM 945 CB ALA A 58 7.927 -0.307 -0.969 1.00 50.00 C ATOM 0 H ALA A 58 6.647 0.998 -2.615 1.00 10.00 H new ATOM 0 HA ALA A 58 6.196 0.442 0.096 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.395 -0.742 -0.086 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.354 -1.073 -1.491 1.00 50.00 H new ATOM 0 HB3 ALA A 58 8.698 0.084 -1.633 1.00 50.00 H new ATOM 951 N ALA A 59 7.514 1.882 1.614 1.00 10.00 N ATOM 952 CA ALA A 59 8.130 2.838 2.552 1.00 10.00 C ATOM 953 C ALA A 59 8.955 2.089 3.598 1.00 10.00 C ATOM 954 O ALA A 59 8.580 1.000 4.023 1.00 50.00 O ATOM 955 CB ALA A 59 7.042 3.679 3.227 1.00 50.00 C ATOM 0 H ALA A 59 6.889 1.214 2.064 1.00 10.00 H new ATOM 0 HA ALA A 59 8.794 3.503 2.000 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.504 4.383 3.919 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.484 4.228 2.469 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.363 3.025 3.774 1.00 50.00 H new ATOM 961 N ASP A 60 10.067 2.677 4.017 1.00 10.00 N ATOM 962 CA ASP A 60 10.931 2.095 5.050 1.00 10.00 C ATOM 963 C ASP A 60 10.395 2.533 6.436 1.00 50.00 C ATOM 964 O ASP A 60 10.316 3.740 6.699 1.00 50.00 O ATOM 965 CB ASP A 60 12.399 2.542 4.805 1.00 50.00 C ATOM 966 CG ASP A 60 13.476 1.835 5.662 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.153 1.156 6.655 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.667 1.921 5.300 1.00 75.00 O ATOM 0 H ASP A 60 10.401 3.570 3.655 1.00 10.00 H new ATOM 0 HA ASP A 60 10.920 1.006 5.013 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.636 2.380 3.753 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.466 3.615 4.986 1.00 50.00 H new ATOM 973 N PRO A 61 9.964 1.561 7.327 1.00 50.00 N ATOM 974 CA PRO A 61 9.455 1.887 8.694 1.00 50.00 C ATOM 975 C PRO A 61 10.521 2.562 9.569 1.00 50.00 C ATOM 976 O PRO A 61 10.184 3.292 10.510 1.00 75.00 O ATOM 977 CB PRO A 61 9.037 0.504 9.280 1.00 75.00 C ATOM 978 CG PRO A 61 9.780 -0.512 8.456 1.00 75.00 C ATOM 979 CD PRO A 61 9.925 0.089 7.068 1.00 50.00 C ATOM 0 HA PRO A 61 8.632 2.601 8.661 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.302 0.426 10.334 1.00 75.00 H new ATOM 0 HB3 PRO A 61 7.959 0.356 9.211 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.756 -0.727 8.891 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.234 -1.455 8.417 1.00 75.00 H new ATOM 0 HD2 PRO A 61 10.834 -0.256 6.574 1.00 50.00 H new ATOM 0 HD3 PRO A 61 9.089 -0.183 6.424 1.00 50.00 H new ATOM 987 N GLY A 62 11.798 2.306 9.236 1.00 50.00 N ATOM 988 CA GLY A 62 12.922 2.837 9.979 1.00 50.00 C ATOM 989 C GLY A 62 13.162 2.061 11.254 1.00 75.00 C ATOM 990 O GLY A 62 12.942 2.576 12.351 1.00 75.00 O ATOM 0 H GLY A 62 12.065 1.724 8.442 1.00 50.00 H new ATOM 0 HA2 GLY A 62 13.817 2.804 9.358 1.00 50.00 H new ATOM 0 HA3 GLY A 62 12.738 3.884 10.219 1.00 50.00 H new ATOM 994 N GLY A 63 13.602 0.803 11.089 1.00 75.00 N ATOM 995 CA GLY A 63 13.727 -0.144 12.194 1.00 75.00 C ATOM 996 C GLY A 63 12.399 -0.818 12.529 1.00 75.00 C ATOM 997 O GLY A 63 11.325 -0.314 12.165 1.00 75.00 O ATOM 0 H GLY A 63 13.879 0.420 10.185 1.00 75.00 H new ATOM 0 HA2 GLY A 63 14.464 -0.905 11.937 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.101 0.376 13.076 1.00 75.00 H new ATOM 1001 N GLY A 64 12.482 -1.982 13.193 1.00 75.00 N ATOM 1002 CA GLY A 64 11.310 -2.646 13.752 1.00 75.00 C ATOM 1003 C GLY A 64 10.896 -1.974 15.063 1.00 75.00 C ATOM 1004 O GLY A 64 11.675 -2.027 16.023 1.00 75.00 O ATOM 0 H GLY A 64 13.358 -2.480 13.353 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.486 -2.607 13.039 1.00 75.00 H new ATOM 0 HA3 GLY A 64 11.529 -3.699 13.928 1.00 75.00 H new ATOM 1008 N PRO A 65 9.707 -1.292 15.136 1.00 75.00 N ATOM 1009 CA PRO A 65 9.275 -0.548 16.348 1.00 75.00 C ATOM 1010 C PRO A 65 9.110 -1.454 17.582 1.00 75.00 C ATOM 1011 O PRO A 65 8.653 -2.595 17.461 1.00 75.00 O ATOM 1012 CB PRO A 65 7.908 0.072 15.936 1.00 75.00 C ATOM 1013 CG PRO A 65 7.933 0.070 14.436 1.00 75.00 C ATOM 1014 CD PRO A 65 8.699 -1.176 14.050 1.00 75.00 C ATOM 0 HA PRO A 65 10.019 0.191 16.646 1.00 75.00 H new ATOM 0 HB2 PRO A 65 7.074 -0.515 16.320 1.00 75.00 H new ATOM 0 HB3 PRO A 65 7.795 1.082 16.330 1.00 75.00 H new ATOM 0 HG2 PRO A 65 6.923 0.053 14.026 1.00 75.00 H new ATOM 0 HG3 PRO A 65 8.419 0.966 14.050 1.00 75.00 H new ATOM 0 HD2 PRO A 65 8.051 -2.051 14.004 1.00 75.00 H new ATOM 0 HD3 PRO A 65 9.168 -1.075 13.071 1.00 75.00 H new ATOM 1022 N SER A 66 9.489 -0.921 18.757 1.00 75.00 N ATOM 1023 CA SER A 66 9.300 -1.598 20.054 1.00 75.00 C ATOM 1024 C SER A 66 7.794 -1.720 20.387 1.00 75.00 C ATOM 1025 O SER A 66 7.381 -2.629 21.112 1.00 75.00 O ATOM 1026 CB SER A 66 10.041 -0.820 21.169 1.00 75.00 C ATOM 1027 OG SER A 66 11.412 -0.630 20.846 1.00 75.00 O ATOM 0 H SER A 66 9.936 -0.007 18.835 1.00 75.00 H new ATOM 0 HA SER A 66 9.718 -2.603 19.990 1.00 75.00 H new ATOM 0 HB2 SER A 66 9.563 0.148 21.318 1.00 75.00 H new ATOM 0 HB3 SER A 66 9.959 -1.364 22.110 1.00 75.00 H new ATOM 0 HG SER A 66 11.853 -0.135 21.568 1.00 75.00 H new ATOM 1033 N SER A 67 6.997 -0.787 19.830 1.00 75.00 N ATOM 1034 CA SER A 67 5.538 -0.751 19.988 1.00 75.00 C ATOM 1035 C SER A 67 4.866 -1.827 19.113 1.00 75.00 C ATOM 1036 O SER A 67 5.315 -2.099 17.987 1.00 75.00 O ATOM 1037 CB SER A 67 5.015 0.657 19.619 1.00 75.00 C ATOM 1038 OG SER A 67 5.621 1.650 20.437 1.00 75.00 O ATOM 0 H SER A 67 7.358 -0.029 19.251 1.00 75.00 H new ATOM 0 HA SER A 67 5.288 -0.964 21.027 1.00 75.00 H new ATOM 0 HB2 SER A 67 5.226 0.865 18.570 1.00 75.00 H new ATOM 0 HB3 SER A 67 3.932 0.691 19.739 1.00 75.00 H new ATOM 0 HG SER A 67 5.278 2.533 20.187 1.00 75.00 H new ATOM 1044 N ARG A 68 3.805 -2.439 19.659 1.00 75.00 N ATOM 1045 CA ARG A 68 3.000 -3.442 18.963 1.00 75.00 C ATOM 1046 C ARG A 68 2.111 -2.741 17.922 1.00 75.00 C ATOM 1047 O ARG A 68 1.075 -2.159 18.268 1.00 75.00 O ATOM 1048 CB ARG A 68 2.150 -4.246 19.986 1.00 75.00 C ATOM 1049 CG ARG A 68 1.277 -5.364 19.373 1.00 75.00 C ATOM 1050 CD ARG A 68 2.110 -6.447 18.658 1.00 75.00 C ATOM 1051 NE ARG A 68 3.018 -7.153 19.579 1.00 75.00 N ATOM 1052 CZ ARG A 68 4.002 -7.989 19.210 1.00 75.00 C ATOM 1053 NH1 ARG A 68 4.234 -8.250 17.923 1.00 75.00 N ATOM 1054 NH2 ARG A 68 4.749 -8.567 20.141 1.00 75.00 N ATOM 0 H ARG A 68 3.482 -2.246 20.607 1.00 75.00 H new ATOM 0 HA ARG A 68 3.650 -4.148 18.446 1.00 75.00 H new ATOM 0 HB2 ARG A 68 2.820 -4.691 20.722 1.00 75.00 H new ATOM 0 HB3 ARG A 68 1.502 -3.553 20.522 1.00 75.00 H new ATOM 0 HG2 ARG A 68 0.684 -5.829 20.161 1.00 75.00 H new ATOM 0 HG3 ARG A 68 0.576 -4.924 18.664 1.00 75.00 H new ATOM 0 HD2 ARG A 68 1.440 -7.167 18.189 1.00 75.00 H new ATOM 0 HD3 ARG A 68 2.692 -5.987 17.860 1.00 75.00 H new ATOM 0 HE ARG A 68 2.889 -6.994 20.578 1.00 75.00 H new ATOM 0 HH11 ARG A 68 3.660 -7.812 17.202 1.00 75.00 H new ATOM 0 HH12 ARG A 68 4.985 -8.887 17.659 1.00 75.00 H new ATOM 0 HH21 ARG A 68 4.574 -8.375 21.127 1.00 75.00 H new ATOM 0 HH22 ARG A 68 5.499 -9.204 19.871 1.00 75.00 H new ATOM 1068 N LEU A 69 2.563 -2.764 16.654 1.00 75.00 N ATOM 1069 CA LEU A 69 1.857 -2.130 15.524 1.00 75.00 C ATOM 1070 C LEU A 69 0.495 -2.804 15.281 1.00 75.00 C ATOM 1071 O LEU A 69 -0.545 -2.143 15.286 1.00 75.00 O ATOM 1072 CB LEU A 69 2.725 -2.201 14.237 1.00 75.00 C ATOM 1073 CG LEU A 69 4.127 -1.522 14.309 1.00 75.00 C ATOM 1074 CD1 LEU A 69 4.877 -1.670 12.966 1.00 75.00 C ATOM 1075 CD2 LEU A 69 4.016 -0.041 14.742 1.00 75.00 C ATOM 0 H LEU A 69 3.432 -3.225 16.383 1.00 75.00 H new ATOM 0 HA LEU A 69 1.683 -1.084 15.776 1.00 75.00 H new ATOM 0 HB2 LEU A 69 2.866 -3.250 13.977 1.00 75.00 H new ATOM 0 HB3 LEU A 69 2.165 -1.743 13.421 1.00 75.00 H new ATOM 0 HG LEU A 69 4.711 -2.035 15.073 1.00 75.00 H new ATOM 0 HD11 LEU A 69 5.852 -1.189 13.039 1.00 75.00 H new ATOM 0 HD12 LEU A 69 5.010 -2.728 12.738 1.00 75.00 H new ATOM 0 HD13 LEU A 69 4.298 -1.198 12.172 1.00 75.00 H new ATOM 0 HD21 LEU A 69 5.011 0.402 14.782 1.00 75.00 H new ATOM 0 HD22 LEU A 69 3.405 0.504 14.022 1.00 75.00 H new ATOM 0 HD23 LEU A 69 3.554 0.016 15.727 1.00 75.00 H new ATOM 1087 N THR A 70 0.537 -4.132 15.110 1.00 75.00 N ATOM 1088 CA THR A 70 -0.629 -4.948 14.733 1.00 75.00 C ATOM 1089 C THR A 70 -0.391 -6.411 15.170 1.00 75.00 C ATOM 1090 O THR A 70 0.661 -6.727 15.739 1.00 75.00 O ATOM 1091 CB THR A 70 -0.880 -4.852 13.176 1.00 75.00 C ATOM 1092 OG1 THR A 70 -2.091 -5.537 12.805 1.00 75.00 O ATOM 1093 CG2 THR A 70 0.307 -5.411 12.362 1.00 75.00 C ATOM 0 H THR A 70 1.390 -4.678 15.230 1.00 75.00 H new ATOM 0 HA THR A 70 -1.519 -4.573 15.238 1.00 75.00 H new ATOM 0 HB THR A 70 -0.982 -3.793 12.940 1.00 75.00 H new ATOM 0 HG1 THR A 70 -2.226 -5.462 11.837 1.00 75.00 H new ATOM 0 HG21 THR A 70 0.091 -5.325 11.297 1.00 75.00 H new ATOM 0 HG22 THR A 70 1.208 -4.844 12.596 1.00 75.00 H new ATOM 0 HG23 THR A 70 0.461 -6.459 12.617 1.00 75.00 H new ATOM 1101 N TRP A 71 -1.370 -7.291 14.903 1.00 75.00 N ATOM 1102 CA TRP A 71 -1.270 -8.736 15.184 1.00 75.00 C ATOM 1103 C TRP A 71 -0.446 -9.430 14.078 1.00 75.00 C ATOM 1104 O TRP A 71 -0.398 -8.952 12.930 1.00 75.00 O ATOM 1105 CB TRP A 71 -2.694 -9.371 15.241 1.00 75.00 C ATOM 1106 CG TRP A 71 -3.606 -8.787 16.303 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -4.275 -7.591 16.255 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -3.963 -9.389 17.564 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -5.013 -7.414 17.397 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -4.842 -8.502 18.215 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -3.620 -10.589 18.196 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -5.384 -8.780 19.470 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -4.158 -10.865 19.441 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -5.031 -9.964 20.067 1.00 75.00 C ATOM 0 H TRP A 71 -2.259 -7.020 14.483 1.00 75.00 H new ATOM 0 HA TRP A 71 -0.776 -8.872 16.146 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -3.169 -9.252 14.267 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -2.593 -10.442 15.417 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -4.227 -6.889 15.435 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -5.596 -6.603 17.605 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -2.947 -11.288 17.721 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -6.057 -8.088 19.954 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -3.901 -11.789 19.938 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -5.434 -10.207 21.039 1.00 75.00 H new ATOM 1125 N ARG A 72 0.198 -10.554 14.430 1.00 75.00 N ATOM 1126 CA ARG A 72 0.841 -11.436 13.449 1.00 75.00 C ATOM 1127 C ARG A 72 -0.249 -12.293 12.790 1.00 75.00 C ATOM 1128 O ARG A 72 -0.733 -13.259 13.392 1.00 75.00 O ATOM 1129 CB ARG A 72 1.920 -12.342 14.092 1.00 75.00 C ATOM 1130 CG ARG A 72 3.048 -11.590 14.836 1.00 75.00 C ATOM 1131 CD ARG A 72 4.210 -12.528 15.215 1.00 75.00 C ATOM 1132 NE ARG A 72 4.912 -13.031 14.013 1.00 75.00 N ATOM 1133 CZ ARG A 72 5.512 -14.228 13.899 1.00 75.00 C ATOM 1134 NH1 ARG A 72 5.518 -15.094 14.910 1.00 75.00 N ATOM 1135 NH2 ARG A 72 6.118 -14.537 12.762 1.00 75.00 N ATOM 0 H ARG A 72 0.286 -10.873 15.395 1.00 75.00 H new ATOM 0 HA ARG A 72 1.352 -10.822 12.708 1.00 75.00 H new ATOM 0 HB2 ARG A 72 1.433 -13.020 14.793 1.00 75.00 H new ATOM 0 HB3 ARG A 72 2.368 -12.958 13.312 1.00 75.00 H new ATOM 0 HG2 ARG A 72 3.423 -10.783 14.206 1.00 75.00 H new ATOM 0 HG3 ARG A 72 2.644 -11.129 15.738 1.00 75.00 H new ATOM 0 HD2 ARG A 72 4.915 -11.996 15.854 1.00 75.00 H new ATOM 0 HD3 ARG A 72 3.827 -13.369 15.793 1.00 75.00 H new ATOM 0 HE ARG A 72 4.943 -12.415 13.200 1.00 75.00 H new ATOM 0 HH11 ARG A 72 5.062 -14.854 15.790 1.00 75.00 H new ATOM 0 HH12 ARG A 72 5.979 -15.998 14.805 1.00 75.00 H new ATOM 0 HH21 ARG A 72 6.124 -13.870 11.990 1.00 75.00 H new ATOM 0 HH22 ARG A 72 6.578 -15.441 12.659 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.666 -11.888 11.577 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.773 -12.533 10.852 1.00 75.00 C ATOM 1151 C VAL A 73 -1.355 -13.957 10.410 1.00 75.00 C ATOM 1152 O VAL A 73 -1.864 -14.945 10.955 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.267 -11.659 9.633 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.583 -12.214 9.029 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.430 -10.169 10.039 1.00 50.00 C ATOM 0 H VAL A 73 -0.246 -11.107 11.074 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.623 -12.619 11.529 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.499 -11.717 8.862 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.892 -11.587 8.193 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -3.421 -13.233 8.678 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -4.362 -12.212 9.791 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.771 -9.593 9.179 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.162 -10.089 10.843 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.472 -9.778 10.381 1.00 50.00 H new ATOM 1165 N GLN A 74 -0.400 -14.070 9.458 1.00 75.00 N ATOM 1166 CA GLN A 74 0.222 -15.377 9.121 1.00 75.00 C ATOM 1167 C GLN A 74 1.277 -15.711 10.202 1.00 75.00 C ATOM 1168 O GLN A 74 2.483 -15.595 9.967 1.00 75.00 O ATOM 1169 CB GLN A 74 0.872 -15.401 7.695 1.00 75.00 C ATOM 1170 CG GLN A 74 -0.079 -15.180 6.486 1.00 75.00 C ATOM 1171 CD GLN A 74 -0.496 -13.718 6.279 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -1.516 -13.264 6.783 1.00 75.00 O ATOM 1173 NE2 GLN A 74 0.306 -12.965 5.546 1.00 75.00 N ATOM 0 H GLN A 74 -0.045 -13.284 8.914 1.00 75.00 H new ATOM 0 HA GLN A 74 -0.566 -16.130 9.103 1.00 75.00 H new ATOM 0 HB2 GLN A 74 1.646 -14.635 7.662 1.00 75.00 H new ATOM 0 HB3 GLN A 74 1.369 -16.362 7.565 1.00 75.00 H new ATOM 0 HG2 GLN A 74 0.411 -15.539 5.581 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -0.974 -15.786 6.625 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.150 -13.366 5.137 1.00 75.00 H new ATOM 0 HE22 GLN A 74 0.081 -11.982 5.389 1.00 75.00 H new ATOM 1182 N ARG A 75 0.797 -16.081 11.404 1.00 75.00 N ATOM 1183 CA ARG A 75 1.652 -16.347 12.572 1.00 75.00 C ATOM 1184 C ARG A 75 2.410 -17.675 12.346 1.00 75.00 C ATOM 1185 O ARG A 75 1.906 -18.760 12.667 1.00 75.00 O ATOM 1186 CB ARG A 75 0.790 -16.340 13.877 1.00 75.00 C ATOM 1187 CG ARG A 75 1.564 -16.253 15.233 1.00 75.00 C ATOM 1188 CD ARG A 75 2.198 -17.592 15.687 1.00 75.00 C ATOM 1189 NE ARG A 75 1.221 -18.701 15.625 1.00 75.00 N ATOM 1190 CZ ARG A 75 1.509 -20.012 15.703 1.00 75.00 C ATOM 1191 NH1 ARG A 75 2.757 -20.434 15.870 1.00 75.00 N ATOM 1192 NH2 ARG A 75 0.537 -20.906 15.573 1.00 75.00 N ATOM 0 H ARG A 75 -0.198 -16.204 11.591 1.00 75.00 H new ATOM 0 HA ARG A 75 2.399 -15.563 12.695 1.00 75.00 H new ATOM 0 HB2 ARG A 75 0.101 -15.497 13.824 1.00 75.00 H new ATOM 0 HB3 ARG A 75 0.185 -17.246 13.889 1.00 75.00 H new ATOM 0 HG2 ARG A 75 2.350 -15.503 15.143 1.00 75.00 H new ATOM 0 HG3 ARG A 75 0.880 -15.906 16.008 1.00 75.00 H new ATOM 0 HD2 ARG A 75 3.054 -17.824 15.054 1.00 75.00 H new ATOM 0 HD3 ARG A 75 2.573 -17.492 16.706 1.00 75.00 H new ATOM 0 HE ARG A 75 0.239 -18.448 15.513 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.518 -19.759 15.942 1.00 75.00 H new ATOM 0 HH12 ARG A 75 2.954 -21.433 15.927 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -0.422 -20.597 15.415 1.00 75.00 H new ATOM 0 HH22 ARG A 75 0.749 -21.902 15.631 1.00 75.00 H new ATOM 1206 N SER A 76 3.593 -17.538 11.718 1.00 75.00 N ATOM 1207 CA SER A 76 4.484 -18.636 11.323 1.00 75.00 C ATOM 1208 C SER A 76 5.679 -18.056 10.546 1.00 75.00 C ATOM 1209 O SER A 76 5.499 -17.157 9.704 1.00 75.00 O ATOM 1210 CB SER A 76 3.736 -19.683 10.454 1.00 75.00 C ATOM 1211 OG SER A 76 2.981 -19.048 9.439 1.00 75.00 O ATOM 0 H SER A 76 3.965 -16.623 11.464 1.00 75.00 H new ATOM 0 HA SER A 76 4.836 -19.144 12.221 1.00 75.00 H new ATOM 0 HB2 SER A 76 4.454 -20.368 10.004 1.00 75.00 H new ATOM 0 HB3 SER A 76 3.077 -20.280 11.084 1.00 75.00 H new ATOM 0 HG SER A 76 2.127 -18.742 9.810 1.00 75.00 H new ATOM 1217 N GLN A 77 6.894 -18.545 10.843 1.00 75.00 N ATOM 1218 CA GLN A 77 8.121 -18.140 10.136 1.00 75.00 C ATOM 1219 C GLN A 77 8.369 -19.104 8.950 1.00 75.00 C ATOM 1220 O GLN A 77 9.247 -19.978 8.993 1.00 75.00 O ATOM 1221 CB GLN A 77 9.349 -18.079 11.099 1.00 75.00 C ATOM 1222 CG GLN A 77 9.246 -17.040 12.258 1.00 75.00 C ATOM 1223 CD GLN A 77 8.294 -17.461 13.394 1.00 75.00 C ATOM 1224 OE1 GLN A 77 7.103 -17.141 13.395 1.00 75.00 O ATOM 1225 NE2 GLN A 77 8.818 -18.178 14.376 1.00 75.00 N ATOM 0 H GLN A 77 7.054 -19.232 11.580 1.00 75.00 H new ATOM 0 HA GLN A 77 7.988 -17.130 9.747 1.00 75.00 H new ATOM 0 HB2 GLN A 77 9.497 -19.068 11.534 1.00 75.00 H new ATOM 0 HB3 GLN A 77 10.238 -17.853 10.511 1.00 75.00 H new ATOM 0 HG2 GLN A 77 10.240 -16.875 12.673 1.00 75.00 H new ATOM 0 HG3 GLN A 77 8.909 -16.087 11.849 1.00 75.00 H new ATOM 0 HE21 GLN A 77 9.806 -18.430 14.352 1.00 75.00 H new ATOM 0 HE22 GLN A 77 8.234 -18.478 15.156 1.00 75.00 H new ATOM 1234 N ASN A 78 7.528 -18.947 7.913 1.00 75.00 N ATOM 1235 CA ASN A 78 7.531 -19.791 6.696 1.00 75.00 C ATOM 1236 C ASN A 78 6.817 -19.057 5.522 1.00 75.00 C ATOM 1237 O ASN A 78 7.425 -18.935 4.449 1.00 75.00 O ATOM 1238 CB ASN A 78 6.916 -21.213 6.979 1.00 75.00 C ATOM 1239 CG ASN A 78 6.636 -22.037 5.715 1.00 75.00 C ATOM 1240 OD1 ASN A 78 5.527 -22.030 5.174 1.00 75.00 O ATOM 1241 ND2 ASN A 78 7.631 -22.744 5.236 1.00 75.00 N ATOM 0 H ASN A 78 6.814 -18.219 7.893 1.00 75.00 H new ATOM 0 HA ASN A 78 8.565 -19.959 6.395 1.00 75.00 H new ATOM 0 HB2 ASN A 78 7.598 -21.771 7.620 1.00 75.00 H new ATOM 0 HB3 ASN A 78 5.986 -21.091 7.534 1.00 75.00 H new ATOM 0 HD21 ASN A 78 7.499 -23.307 4.396 1.00 75.00 H new ATOM 0 HD22 ASN A 78 8.537 -22.731 5.704 1.00 75.00 H new ATOM 1248 N PRO A 79 5.523 -18.550 5.675 1.00 75.00 N ATOM 1249 CA PRO A 79 4.865 -17.749 4.617 1.00 75.00 C ATOM 1250 C PRO A 79 5.444 -16.328 4.537 1.00 75.00 C ATOM 1251 O PRO A 79 5.685 -15.812 3.444 1.00 75.00 O ATOM 1252 CB PRO A 79 3.357 -17.729 5.036 1.00 75.00 C ATOM 1253 CG PRO A 79 3.250 -18.720 6.155 1.00 75.00 C ATOM 1254 CD PRO A 79 4.597 -18.727 6.820 1.00 75.00 C ATOM 0 HA PRO A 79 5.017 -18.173 3.624 1.00 75.00 H new ATOM 0 HB2 PRO A 79 3.051 -16.734 5.360 1.00 75.00 H new ATOM 0 HB3 PRO A 79 2.712 -18.005 4.202 1.00 75.00 H new ATOM 0 HG2 PRO A 79 2.468 -18.434 6.858 1.00 75.00 H new ATOM 0 HG3 PRO A 79 2.994 -19.710 5.778 1.00 75.00 H new ATOM 0 HD2 PRO A 79 4.694 -17.922 7.548 1.00 75.00 H new ATOM 0 HD3 PRO A 79 4.782 -19.661 7.351 1.00 75.00 H new ATOM 1262 N LEU A 80 5.671 -15.723 5.715 1.00 75.00 N ATOM 1263 CA LEU A 80 6.147 -14.340 5.834 1.00 75.00 C ATOM 1264 C LEU A 80 7.633 -14.224 5.449 1.00 75.00 C ATOM 1265 O LEU A 80 8.474 -14.962 5.976 1.00 75.00 O ATOM 1266 CB LEU A 80 5.937 -13.818 7.280 1.00 75.00 C ATOM 1267 CG LEU A 80 4.468 -13.761 7.786 1.00 75.00 C ATOM 1268 CD1 LEU A 80 4.394 -13.193 9.220 1.00 75.00 C ATOM 1269 CD2 LEU A 80 3.563 -12.969 6.821 1.00 75.00 C ATOM 0 H LEU A 80 5.528 -16.184 6.614 1.00 75.00 H new ATOM 0 HA LEU A 80 5.566 -13.730 5.143 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.508 -14.452 7.959 1.00 75.00 H new ATOM 0 HB3 LEU A 80 6.361 -12.816 7.347 1.00 75.00 H new ATOM 0 HG LEU A 80 4.093 -14.784 7.813 1.00 75.00 H new ATOM 0 HD11 LEU A 80 3.355 -13.165 9.547 1.00 75.00 H new ATOM 0 HD12 LEU A 80 4.969 -13.829 9.893 1.00 75.00 H new ATOM 0 HD13 LEU A 80 4.806 -12.184 9.233 1.00 75.00 H new ATOM 0 HD21 LEU A 80 2.545 -12.952 7.209 1.00 75.00 H new ATOM 0 HD22 LEU A 80 3.934 -11.948 6.730 1.00 75.00 H new ATOM 0 HD23 LEU A 80 3.570 -13.447 5.841 1.00 75.00 H new ATOM 1281 N LYS A 81 7.925 -13.301 4.523 1.00 75.00 N ATOM 1282 CA LYS A 81 9.288 -12.912 4.152 1.00 75.00 C ATOM 1283 C LYS A 81 9.584 -11.537 4.735 1.00 75.00 C ATOM 1284 O LYS A 81 8.879 -10.560 4.436 1.00 75.00 O ATOM 1285 CB LYS A 81 9.468 -12.908 2.608 1.00 75.00 C ATOM 1286 CG LYS A 81 9.431 -14.312 1.973 1.00 75.00 C ATOM 1287 CD LYS A 81 10.555 -15.236 2.507 1.00 75.00 C ATOM 1288 CE LYS A 81 10.525 -16.630 1.856 1.00 75.00 C ATOM 1289 NZ LYS A 81 10.697 -16.576 0.380 1.00 75.00 N ATOM 0 H LYS A 81 7.207 -12.796 4.003 1.00 75.00 H new ATOM 0 HA LYS A 81 9.992 -13.639 4.557 1.00 75.00 H new ATOM 0 HB2 LYS A 81 8.683 -12.297 2.162 1.00 75.00 H new ATOM 0 HB3 LYS A 81 10.419 -12.434 2.364 1.00 75.00 H new ATOM 0 HG2 LYS A 81 8.463 -14.771 2.172 1.00 75.00 H new ATOM 0 HG3 LYS A 81 9.524 -14.220 0.891 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.523 -14.771 2.321 1.00 75.00 H new ATOM 0 HD3 LYS A 81 10.454 -15.340 3.587 1.00 75.00 H new ATOM 0 HE2 LYS A 81 11.314 -17.246 2.288 1.00 75.00 H new ATOM 0 HE3 LYS A 81 9.578 -17.116 2.090 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 10.805 -17.541 0.008 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 9.862 -16.130 -0.051 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 11.544 -16.019 0.149 1.00 75.00 H new ATOM 1303 N ILE A 82 10.612 -11.482 5.590 1.00 75.00 N ATOM 1304 CA ILE A 82 11.055 -10.245 6.236 1.00 75.00 C ATOM 1305 C ILE A 82 11.659 -9.277 5.196 1.00 75.00 C ATOM 1306 O ILE A 82 12.305 -9.703 4.228 1.00 75.00 O ATOM 1307 CB ILE A 82 12.097 -10.527 7.385 1.00 75.00 C ATOM 1308 CG1 ILE A 82 13.359 -11.270 6.829 1.00 75.00 C ATOM 1309 CG2 ILE A 82 11.434 -11.326 8.534 1.00 75.00 C ATOM 1310 CD1 ILE A 82 14.467 -11.508 7.840 1.00 75.00 C ATOM 0 H ILE A 82 11.162 -12.300 5.853 1.00 75.00 H new ATOM 0 HA ILE A 82 10.178 -9.781 6.688 1.00 75.00 H new ATOM 0 HB ILE A 82 12.431 -9.571 7.788 1.00 75.00 H new ATOM 0 HG12 ILE A 82 13.045 -12.232 6.424 1.00 75.00 H new ATOM 0 HG13 ILE A 82 13.765 -10.692 5.999 1.00 75.00 H new ATOM 0 HG21 ILE A 82 12.168 -11.512 9.318 1.00 75.00 H new ATOM 0 HG22 ILE A 82 10.602 -10.752 8.943 1.00 75.00 H new ATOM 0 HG23 ILE A 82 11.065 -12.277 8.150 1.00 75.00 H new ATOM 0 HD11 ILE A 82 15.295 -12.028 7.357 1.00 75.00 H new ATOM 0 HD12 ILE A 82 14.817 -10.552 8.229 1.00 75.00 H new ATOM 0 HD13 ILE A 82 14.086 -12.116 8.661 1.00 75.00 H new ATOM 1322 N ARG A 83 11.415 -7.986 5.399 1.00 75.00 N ATOM 1323 CA ARG A 83 11.916 -6.914 4.536 1.00 75.00 C ATOM 1324 C ARG A 83 13.006 -6.126 5.275 1.00 75.00 C ATOM 1325 O ARG A 83 12.866 -5.840 6.473 1.00 75.00 O ATOM 1326 CB ARG A 83 10.743 -5.995 4.112 1.00 75.00 C ATOM 1327 CG ARG A 83 11.161 -4.776 3.256 1.00 75.00 C ATOM 1328 CD ARG A 83 9.968 -3.907 2.845 1.00 75.00 C ATOM 1329 NE ARG A 83 10.397 -2.632 2.243 1.00 75.00 N ATOM 1330 CZ ARG A 83 9.671 -1.508 2.234 1.00 75.00 C ATOM 1331 NH1 ARG A 83 8.460 -1.483 2.774 1.00 75.00 N ATOM 1332 NH2 ARG A 83 10.174 -0.407 1.695 1.00 75.00 N ATOM 0 H ARG A 83 10.854 -7.646 6.180 1.00 75.00 H new ATOM 0 HA ARG A 83 12.356 -7.338 3.634 1.00 75.00 H new ATOM 0 HB2 ARG A 83 10.019 -6.586 3.551 1.00 75.00 H new ATOM 0 HB3 ARG A 83 10.236 -5.637 5.008 1.00 75.00 H new ATOM 0 HG2 ARG A 83 11.871 -4.169 3.817 1.00 75.00 H new ATOM 0 HG3 ARG A 83 11.677 -5.125 2.361 1.00 75.00 H new ATOM 0 HD2 ARG A 83 9.349 -4.454 2.134 1.00 75.00 H new ATOM 0 HD3 ARG A 83 9.348 -3.705 3.719 1.00 75.00 H new ATOM 0 HE ARG A 83 11.316 -2.604 1.800 1.00 75.00 H new ATOM 0 HH11 ARG A 83 8.075 -2.325 3.201 1.00 75.00 H new ATOM 0 HH12 ARG A 83 7.914 -0.621 2.762 1.00 75.00 H new ATOM 0 HH21 ARG A 83 11.110 -0.419 1.290 1.00 75.00 H new ATOM 0 HH22 ARG A 83 9.625 0.453 1.685 1.00 75.00 H new ATOM 1346 N LEU A 84 14.093 -5.798 4.549 1.00 75.00 N ATOM 1347 CA LEU A 84 15.224 -5.034 5.088 1.00 75.00 C ATOM 1348 C LEU A 84 14.777 -3.596 5.418 1.00 75.00 C ATOM 1349 O LEU A 84 14.274 -2.878 4.545 1.00 75.00 O ATOM 1350 CB LEU A 84 16.401 -5.023 4.074 1.00 75.00 C ATOM 1351 CG LEU A 84 16.901 -6.425 3.582 1.00 75.00 C ATOM 1352 CD1 LEU A 84 18.058 -6.277 2.577 1.00 75.00 C ATOM 1353 CD2 LEU A 84 17.293 -7.342 4.767 1.00 75.00 C ATOM 0 H LEU A 84 14.207 -6.059 3.569 1.00 75.00 H new ATOM 0 HA LEU A 84 15.569 -5.511 6.005 1.00 75.00 H new ATOM 0 HB2 LEU A 84 16.098 -4.442 3.203 1.00 75.00 H new ATOM 0 HB3 LEU A 84 17.242 -4.500 4.530 1.00 75.00 H new ATOM 0 HG LEU A 84 16.071 -6.907 3.066 1.00 75.00 H new ATOM 0 HD11 LEU A 84 18.386 -7.264 2.252 1.00 75.00 H new ATOM 0 HD12 LEU A 84 17.719 -5.704 1.714 1.00 75.00 H new ATOM 0 HD13 LEU A 84 18.889 -5.757 3.053 1.00 75.00 H new ATOM 0 HD21 LEU A 84 17.634 -8.304 4.385 1.00 75.00 H new ATOM 0 HD22 LEU A 84 18.094 -6.874 5.340 1.00 75.00 H new ATOM 0 HD23 LEU A 84 16.427 -7.494 5.411 1.00 75.00 H new ATOM 1365 N THR A 85 14.922 -3.219 6.689 1.00 75.00 N ATOM 1366 CA THR A 85 14.542 -1.892 7.206 1.00 75.00 C ATOM 1367 C THR A 85 15.802 -1.122 7.668 1.00 75.00 C ATOM 1368 O THR A 85 16.918 -1.649 7.559 1.00 75.00 O ATOM 1369 CB THR A 85 13.507 -2.063 8.374 1.00 75.00 C ATOM 1370 OG1 THR A 85 13.051 -0.785 8.823 1.00 75.00 O ATOM 1371 CG2 THR A 85 14.083 -2.859 9.566 1.00 75.00 C ATOM 0 H THR A 85 15.312 -3.833 7.404 1.00 75.00 H new ATOM 0 HA THR A 85 14.070 -1.308 6.416 1.00 75.00 H new ATOM 0 HB THR A 85 12.670 -2.635 7.973 1.00 75.00 H new ATOM 0 HG1 THR A 85 12.957 -0.183 8.055 1.00 75.00 H new ATOM 0 HG21 THR A 85 13.325 -2.947 10.345 1.00 75.00 H new ATOM 0 HG22 THR A 85 14.377 -3.854 9.231 1.00 75.00 H new ATOM 0 HG23 THR A 85 14.954 -2.338 9.964 1.00 75.00 H new ATOM 1379 N ARG A 86 15.631 0.134 8.135 1.00 75.00 N ATOM 1380 CA ARG A 86 16.750 0.922 8.687 1.00 75.00 C ATOM 1381 C ARG A 86 17.310 0.266 9.952 1.00 75.00 C ATOM 1382 O ARG A 86 16.670 0.293 11.010 1.00 75.00 O ATOM 1383 CB ARG A 86 16.356 2.386 9.021 1.00 75.00 C ATOM 1384 CG ARG A 86 16.238 3.328 7.816 1.00 75.00 C ATOM 1385 CD ARG A 86 15.915 4.781 8.229 1.00 75.00 C ATOM 1386 NE ARG A 86 16.813 5.298 9.290 1.00 75.00 N ATOM 1387 CZ ARG A 86 18.112 5.627 9.137 1.00 75.00 C ATOM 1388 NH1 ARG A 86 18.732 5.509 7.970 1.00 75.00 N ATOM 1389 NH2 ARG A 86 18.787 6.082 10.167 1.00 75.00 N ATOM 0 H ARG A 86 14.734 0.620 8.140 1.00 75.00 H new ATOM 0 HA ARG A 86 17.508 0.945 7.904 1.00 75.00 H new ATOM 0 HB2 ARG A 86 15.402 2.376 9.548 1.00 75.00 H new ATOM 0 HB3 ARG A 86 17.096 2.795 9.709 1.00 75.00 H new ATOM 0 HG2 ARG A 86 17.172 3.313 7.254 1.00 75.00 H new ATOM 0 HG3 ARG A 86 15.458 2.962 7.148 1.00 75.00 H new ATOM 0 HD2 ARG A 86 15.988 5.426 7.353 1.00 75.00 H new ATOM 0 HD3 ARG A 86 14.884 4.832 8.578 1.00 75.00 H new ATOM 0 HE ARG A 86 16.412 5.415 10.220 1.00 75.00 H new ATOM 0 HH11 ARG A 86 18.225 5.161 7.156 1.00 75.00 H new ATOM 0 HH12 ARG A 86 19.715 5.766 7.887 1.00 75.00 H new ATOM 0 HH21 ARG A 86 18.329 6.184 11.072 1.00 75.00 H new ATOM 0 HH22 ARG A 86 19.770 6.334 10.062 1.00 75.00 H new ATOM 1403 N GLU A 87 18.480 -0.358 9.811 1.00 75.00 N ATOM 1404 CA GLU A 87 19.334 -0.693 10.949 1.00 75.00 C ATOM 1405 C GLU A 87 19.821 0.626 11.575 1.00 75.00 C ATOM 1406 O GLU A 87 20.427 1.447 10.874 1.00 75.00 O ATOM 1407 CB GLU A 87 20.518 -1.584 10.495 1.00 75.00 C ATOM 1408 CG GLU A 87 20.120 -3.026 10.103 1.00 75.00 C ATOM 1409 CD GLU A 87 19.469 -3.806 11.267 1.00 75.00 C ATOM 1410 OE1 GLU A 87 20.143 -4.021 12.303 1.00 75.00 O ATOM 1411 OE2 GLU A 87 18.281 -4.182 11.171 1.00 75.00 O ATOM 0 H GLU A 87 18.860 -0.644 8.909 1.00 75.00 H new ATOM 0 HA GLU A 87 18.779 -1.265 11.693 1.00 75.00 H new ATOM 0 HB2 GLU A 87 21.007 -1.111 9.643 1.00 75.00 H new ATOM 0 HB3 GLU A 87 21.252 -1.629 11.299 1.00 75.00 H new ATOM 0 HG2 GLU A 87 19.426 -2.991 9.263 1.00 75.00 H new ATOM 0 HG3 GLU A 87 21.006 -3.563 9.763 1.00 75.00 H new ATOM 1418 N ALA A 88 19.509 0.811 12.874 1.00 75.00 N ATOM 1419 CA ALA A 88 19.670 2.078 13.608 1.00 75.00 C ATOM 1420 C ALA A 88 18.681 3.140 13.048 1.00 75.00 C ATOM 1421 O ALA A 88 19.029 3.878 12.118 1.00 75.00 O ATOM 1422 CB ALA A 88 21.138 2.573 13.632 1.00 75.00 C ATOM 0 H ALA A 88 19.129 0.063 13.454 1.00 75.00 H new ATOM 0 HA ALA A 88 19.419 1.902 14.654 1.00 75.00 H new ATOM 0 HB1 ALA A 88 21.197 3.510 14.186 1.00 75.00 H new ATOM 0 HB2 ALA A 88 21.766 1.825 14.116 1.00 75.00 H new ATOM 0 HB3 ALA A 88 21.485 2.733 12.611 1.00 75.00 H new ATOM 1428 N PRO A 89 17.392 3.134 13.551 1.00 75.00 N ATOM 1429 CA PRO A 89 16.366 4.168 13.225 1.00 75.00 C ATOM 1430 C PRO A 89 16.913 5.623 13.320 1.00 75.00 C ATOM 1431 O PRO A 89 17.368 6.016 14.417 1.00 75.00 O ATOM 1432 CB PRO A 89 15.265 3.915 14.287 1.00 75.00 C ATOM 1433 CG PRO A 89 15.346 2.440 14.561 1.00 75.00 C ATOM 1434 CD PRO A 89 16.815 2.073 14.432 1.00 75.00 C ATOM 1435 OXT PRO A 89 16.868 6.364 12.316 1.00 75.00 O ATOM 0 HA PRO A 89 16.016 4.084 12.196 1.00 75.00 H new ATOM 0 HB2 PRO A 89 15.443 4.498 15.191 1.00 75.00 H new ATOM 0 HB3 PRO A 89 14.280 4.197 13.914 1.00 75.00 H new ATOM 0 HG2 PRO A 89 14.971 2.207 15.558 1.00 75.00 H new ATOM 0 HG3 PRO A 89 14.739 1.877 13.852 1.00 75.00 H new ATOM 0 HD2 PRO A 89 17.306 2.055 15.405 1.00 75.00 H new ATOM 0 HD3 PRO A 89 16.939 1.083 13.994 1.00 75.00 H new TER 1443 PRO A 89