USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -152:sc= 1.07 USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= -1.43 F(o=-1.7,f=-0.35) USER MOD Set 2.1: A 28 THR OG1 : rot -95:sc= 0.37! USER MOD Set 2.2: A 90 GLN : amide:sc= -1.95 K(o=-1.6,f=-2.9!) USER MOD Set 3.1: A 69 THR OG1 : rot -48:sc= 0.519 USER MOD Set 3.2: A 71 SER OG : rot 180:sc= 0.0304 USER MOD Set 4.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -132:sc= 0.122 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -59:sc= 1.13 USER MOD Single : A 5 SER OG : rot 180:sc= -2.56! USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc=-0.00348 F(o=-0.8,f=-0.0035) USER MOD Single : A 15 ASN : amide:sc= -5.09! C(o=-5.1!,f=-6.3!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0854 USER MOD Single : A 25 SER OG : rot 80:sc= -0.156 USER MOD Single : A 26 THR OG1 : rot 17:sc= -0.0431 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.57) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -136:sc= -0.358 (180deg=-2.62!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4!) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -8.51! C(o=-10!,f=-8.5!) USER MOD Single : A 80 GLN : amide:sc= -0.0316 X(o=-0.032,f=-0.29) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0925) USER MOD Single : A 99 THR OG1 : rot -69:sc= -0.171 USER MOD Single : A 104 ASN : amide:sc= -3.55! X(o=-3.5!,f=-3.4) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.176 5.154 7.670 1.00 0.00 N ATOM 2 CA SER A 1 -25.088 4.148 7.830 1.00 0.00 C ATOM 3 C SER A 1 -23.813 4.663 7.160 1.00 0.00 C ATOM 4 O SER A 1 -23.738 5.799 6.736 1.00 0.00 O ATOM 5 CB SER A 1 -25.513 2.831 7.179 1.00 0.00 C ATOM 6 OG SER A 1 -25.281 2.903 5.778 1.00 0.00 O ATOM 0 H1 SER A 1 -26.639 5.313 8.587 1.00 0.00 H new ATOM 0 H2 SER A 1 -25.773 6.049 7.325 1.00 0.00 H new ATOM 0 H3 SER A 1 -26.876 4.803 6.985 1.00 0.00 H new ATOM 0 HA SER A 1 -24.898 3.984 8.891 1.00 0.00 H new ATOM 0 HB2 SER A 1 -24.952 2.001 7.610 1.00 0.00 H new ATOM 0 HB3 SER A 1 -26.568 2.639 7.375 1.00 0.00 H new ATOM 0 HG SER A 1 -25.551 2.060 5.358 1.00 0.00 H new ATOM 14 N VAL A 2 -22.806 3.837 7.062 1.00 0.00 N ATOM 15 CA VAL A 2 -21.536 4.280 6.421 1.00 0.00 C ATOM 16 C VAL A 2 -21.677 4.201 4.901 1.00 0.00 C ATOM 17 O VAL A 2 -22.064 5.152 4.251 1.00 0.00 O ATOM 18 CB VAL A 2 -20.393 3.367 6.871 1.00 0.00 C ATOM 19 CG1 VAL A 2 -19.159 3.631 6.007 1.00 0.00 C ATOM 20 CG2 VAL A 2 -20.058 3.652 8.336 1.00 0.00 C ATOM 0 H VAL A 2 -22.809 2.874 7.399 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.321 5.307 6.715 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.697 2.326 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.345 2.981 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.396 3.428 4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.856 4.672 6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.244 3.002 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.754 4.693 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.937 3.464 8.953 1.00 0.00 H new ATOM 30 N GLY A 3 -21.364 3.072 4.328 1.00 0.00 N ATOM 31 CA GLY A 3 -21.475 2.927 2.850 1.00 0.00 C ATOM 32 C GLY A 3 -20.327 2.056 2.339 1.00 0.00 C ATOM 33 O GLY A 3 -20.411 0.844 2.329 1.00 0.00 O ATOM 0 H GLY A 3 -21.035 2.242 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.432 2.477 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.443 3.907 2.374 1.00 0.00 H new ATOM 37 N THR A 4 -19.251 2.663 1.918 1.00 0.00 N ATOM 38 CA THR A 4 -18.098 1.868 1.413 1.00 0.00 C ATOM 39 C THR A 4 -17.166 1.533 2.580 1.00 0.00 C ATOM 40 O THR A 4 -15.959 1.561 2.452 1.00 0.00 O ATOM 41 CB THR A 4 -17.335 2.681 0.363 1.00 0.00 C ATOM 42 OG1 THR A 4 -16.164 1.974 -0.022 1.00 0.00 O ATOM 43 CG2 THR A 4 -16.943 4.038 0.948 1.00 0.00 C ATOM 0 H THR A 4 -19.121 3.675 1.902 1.00 0.00 H new ATOM 0 HA THR A 4 -18.461 0.946 0.959 1.00 0.00 H new ATOM 0 HB THR A 4 -17.971 2.835 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.598 1.827 0.764 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.400 4.614 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.841 4.581 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.307 3.888 1.821 1.00 0.00 H new ATOM 51 N SER A 5 -17.720 1.218 3.718 1.00 0.00 N ATOM 52 CA SER A 5 -16.867 0.884 4.895 1.00 0.00 C ATOM 53 C SER A 5 -16.116 -0.422 4.629 1.00 0.00 C ATOM 54 O SER A 5 -16.279 -1.045 3.599 1.00 0.00 O ATOM 55 CB SER A 5 -17.748 0.721 6.133 1.00 0.00 C ATOM 56 OG SER A 5 -17.290 1.597 7.154 1.00 0.00 O ATOM 0 H SER A 5 -18.725 1.177 3.885 1.00 0.00 H new ATOM 0 HA SER A 5 -16.150 1.687 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.786 0.943 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.717 -0.311 6.482 1.00 0.00 H new ATOM 0 HG SER A 5 -17.854 1.496 7.949 1.00 0.00 H new ATOM 62 N CYS A 6 -15.295 -0.841 5.553 1.00 0.00 N ATOM 63 CA CYS A 6 -14.530 -2.106 5.357 1.00 0.00 C ATOM 64 C CYS A 6 -14.574 -2.929 6.646 1.00 0.00 C ATOM 65 O CYS A 6 -15.137 -2.514 7.640 1.00 0.00 O ATOM 66 CB CYS A 6 -13.076 -1.773 5.018 1.00 0.00 C ATOM 67 SG CYS A 6 -12.979 -1.109 3.338 1.00 0.00 S ATOM 0 H CYS A 6 -15.121 -0.362 6.436 1.00 0.00 H new ATOM 0 HA CYS A 6 -14.973 -2.678 4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.684 -1.047 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.459 -2.667 5.102 1.00 0.00 H new ATOM 72 N ILE A 7 -13.979 -4.092 6.641 1.00 0.00 N ATOM 73 CA ILE A 7 -13.984 -4.932 7.872 1.00 0.00 C ATOM 74 C ILE A 7 -12.542 -5.102 8.373 1.00 0.00 C ATOM 75 O ILE A 7 -11.637 -5.265 7.579 1.00 0.00 O ATOM 76 CB ILE A 7 -14.578 -6.305 7.552 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.919 -6.125 6.835 1.00 0.00 C ATOM 78 CG2 ILE A 7 -14.796 -7.083 8.851 1.00 0.00 C ATOM 79 CD1 ILE A 7 -16.887 -5.365 7.743 1.00 0.00 C ATOM 0 H ILE A 7 -13.492 -4.495 5.841 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.586 -4.449 8.642 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.892 -6.857 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.774 -5.579 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -16.337 -7.097 6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.219 -8.061 8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.842 -7.211 9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -15.482 -6.532 9.494 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.841 -5.237 7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.041 -5.928 8.663 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.470 -4.387 7.982 1.00 0.00 H new ATOM 91 N PRO A 8 -12.363 -5.053 9.673 1.00 0.00 N ATOM 92 CA PRO A 8 -11.031 -5.194 10.288 1.00 0.00 C ATOM 93 C PRO A 8 -10.629 -6.677 10.373 1.00 0.00 C ATOM 94 O PRO A 8 -11.472 -7.546 10.480 1.00 0.00 O ATOM 95 CB PRO A 8 -11.220 -4.605 11.688 1.00 0.00 C ATOM 96 CG PRO A 8 -12.734 -4.691 11.999 1.00 0.00 C ATOM 97 CD PRO A 8 -13.457 -4.852 10.649 1.00 0.00 C ATOM 0 HA PRO A 8 -10.244 -4.698 9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.640 -5.161 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.874 -3.572 11.724 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.947 -5.535 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.074 -3.793 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.140 -5.701 10.662 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.050 -3.970 10.407 1.00 0.00 H new ATOM 105 N GLY A 9 -9.353 -6.978 10.332 1.00 0.00 N ATOM 106 CA GLY A 9 -8.917 -8.403 10.417 1.00 0.00 C ATOM 107 C GLY A 9 -9.624 -9.230 9.336 1.00 0.00 C ATOM 108 O GLY A 9 -9.668 -10.443 9.401 1.00 0.00 O ATOM 0 H GLY A 9 -8.598 -6.298 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.836 -8.470 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.148 -8.805 11.404 1.00 0.00 H new ATOM 112 N MET A 10 -10.172 -8.584 8.343 1.00 0.00 N ATOM 113 CA MET A 10 -10.872 -9.328 7.257 1.00 0.00 C ATOM 114 C MET A 10 -10.523 -8.671 5.903 1.00 0.00 C ATOM 115 O MET A 10 -10.972 -7.574 5.634 1.00 0.00 O ATOM 116 CB MET A 10 -12.384 -9.236 7.481 1.00 0.00 C ATOM 117 CG MET A 10 -12.722 -9.729 8.889 1.00 0.00 C ATOM 118 SD MET A 10 -13.969 -11.037 8.785 1.00 0.00 S ATOM 119 CE MET A 10 -14.083 -11.385 10.558 1.00 0.00 C ATOM 0 H MET A 10 -10.165 -7.570 8.237 1.00 0.00 H new ATOM 0 HA MET A 10 -10.562 -10.373 7.259 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.719 -8.207 7.354 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.910 -9.836 6.738 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.824 -10.105 9.380 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.095 -8.904 9.496 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.811 -12.178 10.727 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.109 -11.702 10.930 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.398 -10.485 11.086 1.00 0.00 H new ATOM 129 N ALA A 11 -9.718 -9.300 5.060 1.00 0.00 N ATOM 130 CA ALA A 11 -9.343 -8.672 3.754 1.00 0.00 C ATOM 131 C ALA A 11 -8.144 -7.754 3.990 1.00 0.00 C ATOM 132 O ALA A 11 -7.077 -7.958 3.448 1.00 0.00 O ATOM 133 CB ALA A 11 -10.514 -7.862 3.189 1.00 0.00 C ATOM 0 H ALA A 11 -9.310 -10.220 5.228 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.091 -9.450 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.222 -7.413 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.369 -8.520 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.786 -7.076 3.893 1.00 0.00 H new ATOM 139 N ILE A 12 -8.307 -6.760 4.821 1.00 0.00 N ATOM 140 CA ILE A 12 -7.178 -5.845 5.128 1.00 0.00 C ATOM 141 C ILE A 12 -6.634 -6.230 6.513 1.00 0.00 C ATOM 142 O ILE A 12 -7.250 -5.906 7.508 1.00 0.00 O ATOM 143 CB ILE A 12 -7.675 -4.394 5.169 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.678 -4.151 4.036 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.488 -3.445 5.002 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.880 -3.383 4.585 1.00 0.00 C ATOM 0 H ILE A 12 -9.180 -6.544 5.302 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.405 -5.929 4.364 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.163 -4.212 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.207 -3.586 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.002 -5.101 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.840 -2.414 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.775 -3.608 5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.002 -3.636 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.597 -3.207 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.354 -3.966 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.547 -2.427 4.990 1.00 0.00 H new ATOM 158 N PRO A 13 -5.530 -6.947 6.562 1.00 0.00 N ATOM 159 CA PRO A 13 -4.975 -7.405 7.841 1.00 0.00 C ATOM 160 C PRO A 13 -4.180 -6.300 8.529 1.00 0.00 C ATOM 161 O PRO A 13 -3.983 -5.227 7.994 1.00 0.00 O ATOM 162 CB PRO A 13 -4.081 -8.581 7.450 1.00 0.00 C ATOM 163 CG PRO A 13 -3.738 -8.397 5.951 1.00 0.00 C ATOM 164 CD PRO A 13 -4.728 -7.358 5.387 1.00 0.00 C ATOM 0 HA PRO A 13 -5.746 -7.688 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.175 -8.597 8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.593 -9.529 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.710 -8.056 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.825 -9.343 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.206 -6.510 4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.356 -7.788 4.607 1.00 0.00 H new ATOM 172 N HIS A 14 -3.742 -6.559 9.725 1.00 0.00 N ATOM 173 CA HIS A 14 -2.980 -5.552 10.489 1.00 0.00 C ATOM 174 C HIS A 14 -1.556 -5.424 9.908 1.00 0.00 C ATOM 175 O HIS A 14 -1.006 -6.376 9.392 1.00 0.00 O ATOM 176 CB HIS A 14 -2.938 -6.032 11.941 1.00 0.00 C ATOM 177 CG HIS A 14 -4.349 -6.230 12.431 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.260 -7.233 12.217 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -4.990 -5.303 13.240 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.449 -6.937 12.878 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.234 -5.764 13.478 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.885 -7.445 10.210 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.447 -4.569 10.430 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.379 -6.965 12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.421 -5.302 12.564 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.569 -4.380 13.611 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.352 -7.529 12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.926 -5.276 14.047 1.00 0.00 H new ATOM 189 N ASN A 15 -0.964 -4.249 9.971 1.00 0.00 N ATOM 190 CA ASN A 15 0.409 -4.052 9.416 1.00 0.00 C ATOM 191 C ASN A 15 0.542 -4.743 8.056 1.00 0.00 C ATOM 192 O ASN A 15 1.391 -5.594 7.876 1.00 0.00 O ATOM 193 CB ASN A 15 1.455 -4.615 10.385 1.00 0.00 C ATOM 194 CG ASN A 15 1.039 -6.010 10.851 1.00 0.00 C ATOM 195 OD1 ASN A 15 0.233 -6.149 11.750 1.00 0.00 O ATOM 196 ND2 ASN A 15 1.558 -7.058 10.273 1.00 0.00 N ATOM 0 H ASN A 15 -1.381 -3.416 10.387 1.00 0.00 H new ATOM 0 HA ASN A 15 0.578 -2.983 9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.428 -4.661 9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.561 -3.952 11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.287 -7.994 10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.234 -6.942 9.518 1.00 0.00 H new ATOM 203 N PRO A 16 -0.297 -4.347 7.132 1.00 0.00 N ATOM 204 CA PRO A 16 -0.295 -4.900 5.765 1.00 0.00 C ATOM 205 C PRO A 16 0.793 -4.237 4.907 1.00 0.00 C ATOM 206 O PRO A 16 1.335 -3.207 5.255 1.00 0.00 O ATOM 207 CB PRO A 16 -1.680 -4.527 5.231 1.00 0.00 C ATOM 208 CG PRO A 16 -2.158 -3.314 6.066 1.00 0.00 C ATOM 209 CD PRO A 16 -1.337 -3.323 7.367 1.00 0.00 C ATOM 0 HA PRO A 16 -0.093 -5.971 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.633 -4.275 4.172 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.372 -5.363 5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.006 -2.384 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.224 -3.388 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.896 -2.346 7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.957 -3.575 8.227 1.00 0.00 H new ATOM 217 N LEU A 17 1.091 -4.815 3.776 1.00 0.00 N ATOM 218 CA LEU A 17 2.117 -4.226 2.864 1.00 0.00 C ATOM 219 C LEU A 17 3.448 -4.016 3.591 1.00 0.00 C ATOM 220 O LEU A 17 4.075 -2.984 3.457 1.00 0.00 O ATOM 221 CB LEU A 17 1.617 -2.877 2.344 1.00 0.00 C ATOM 222 CG LEU A 17 0.153 -2.999 1.925 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.291 -1.702 1.246 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.002 -4.164 0.944 1.00 0.00 C ATOM 0 H LEU A 17 0.664 -5.678 3.440 1.00 0.00 H new ATOM 0 HA LEU A 17 2.277 -4.919 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.722 -2.116 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.223 -2.556 1.497 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.463 -3.180 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.336 -1.787 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.180 -0.870 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.326 -1.523 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.047 -4.251 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.614 -3.982 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.316 -5.089 1.425 1.00 0.00 H new ATOM 236 N ASP A 18 3.905 -4.983 4.336 1.00 0.00 N ATOM 237 CA ASP A 18 5.215 -4.814 5.036 1.00 0.00 C ATOM 238 C ASP A 18 6.331 -4.825 3.991 1.00 0.00 C ATOM 239 O ASP A 18 7.229 -3.991 3.994 1.00 0.00 O ATOM 240 CB ASP A 18 5.426 -5.962 6.030 1.00 0.00 C ATOM 241 CG ASP A 18 5.487 -7.290 5.272 1.00 0.00 C ATOM 242 OD1 ASP A 18 4.438 -7.780 4.888 1.00 0.00 O ATOM 243 OD2 ASP A 18 6.583 -7.795 5.091 1.00 0.00 O ATOM 0 H ASP A 18 3.436 -5.875 4.492 1.00 0.00 H new ATOM 0 HA ASP A 18 5.225 -3.871 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.349 -5.808 6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.613 -5.983 6.756 1.00 0.00 H new ATOM 248 N SER A 19 6.262 -5.752 3.081 1.00 0.00 N ATOM 249 CA SER A 19 7.286 -5.829 2.009 1.00 0.00 C ATOM 250 C SER A 19 7.212 -4.544 1.193 1.00 0.00 C ATOM 251 O SER A 19 8.166 -4.134 0.571 1.00 0.00 O ATOM 252 CB SER A 19 7.002 -7.031 1.110 1.00 0.00 C ATOM 253 OG SER A 19 8.223 -7.701 0.822 1.00 0.00 O ATOM 0 H SER A 19 5.534 -6.465 3.034 1.00 0.00 H new ATOM 0 HA SER A 19 8.280 -5.945 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.308 -7.712 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.526 -6.704 0.185 1.00 0.00 H new ATOM 0 HG SER A 19 8.044 -8.474 0.247 1.00 0.00 H new ATOM 259 N CYS A 20 6.070 -3.914 1.194 1.00 0.00 N ATOM 260 CA CYS A 20 5.908 -2.652 0.427 1.00 0.00 C ATOM 261 C CYS A 20 6.723 -1.542 1.093 1.00 0.00 C ATOM 262 O CYS A 20 7.420 -0.786 0.438 1.00 0.00 O ATOM 263 CB CYS A 20 4.429 -2.275 0.403 1.00 0.00 C ATOM 264 SG CYS A 20 3.491 -3.584 -0.434 1.00 0.00 S ATOM 0 H CYS A 20 5.238 -4.223 1.697 1.00 0.00 H new ATOM 0 HA CYS A 20 6.265 -2.786 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.060 -2.140 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.292 -1.326 -0.115 1.00 0.00 H new ATOM 269 N ARG A 21 6.649 -1.438 2.394 1.00 0.00 N ATOM 270 CA ARG A 21 7.422 -0.377 3.094 1.00 0.00 C ATOM 271 C ARG A 21 8.932 -0.624 2.890 1.00 0.00 C ATOM 272 O ARG A 21 9.678 0.278 2.521 1.00 0.00 O ATOM 273 CB ARG A 21 7.038 -0.361 4.594 1.00 0.00 C ATOM 274 CG ARG A 21 8.273 -0.153 5.482 1.00 0.00 C ATOM 275 CD ARG A 21 7.861 0.564 6.771 1.00 0.00 C ATOM 276 NE ARG A 21 9.078 0.911 7.557 1.00 0.00 N ATOM 277 CZ ARG A 21 9.285 2.145 7.930 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.657 3.038 7.054 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.118 2.487 9.179 1.00 0.00 N ATOM 0 H ARG A 21 6.089 -2.040 2.997 1.00 0.00 H new ATOM 0 HA ARG A 21 7.183 0.602 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.316 0.435 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.552 -1.300 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.730 -1.114 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.022 0.434 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.299 1.467 6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.204 -0.075 7.361 1.00 0.00 H new ATOM 0 HE ARG A 21 9.750 0.184 7.804 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.786 2.772 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.819 4.002 7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.826 1.790 9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.280 3.451 9.470 1.00 0.00 H new ATOM 293 N TRP A 22 9.404 -1.830 3.110 1.00 0.00 N ATOM 294 CA TRP A 22 10.865 -2.068 2.910 1.00 0.00 C ATOM 295 C TRP A 22 11.191 -1.993 1.422 1.00 0.00 C ATOM 296 O TRP A 22 12.300 -1.672 1.030 1.00 0.00 O ATOM 297 CB TRP A 22 11.304 -3.422 3.470 1.00 0.00 C ATOM 298 CG TRP A 22 11.484 -3.268 4.931 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.863 -3.976 5.882 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.337 -2.332 5.603 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.286 -3.520 7.124 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.206 -2.494 6.994 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.203 -1.365 5.116 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.928 -1.700 7.886 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.939 -0.557 5.998 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.799 -0.725 7.385 1.00 0.00 C ATOM 0 H TRP A 22 8.857 -2.637 3.411 1.00 0.00 H new ATOM 0 HA TRP A 22 11.410 -1.296 3.453 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.556 -4.185 3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.234 -3.746 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.151 -4.770 5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.961 -3.893 8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.312 -1.232 4.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.816 -1.836 8.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.612 0.193 5.610 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.363 -0.103 8.065 1.00 0.00 H new ATOM 317 N TYR A 23 10.231 -2.273 0.587 1.00 0.00 N ATOM 318 CA TYR A 23 10.484 -2.206 -0.875 1.00 0.00 C ATOM 319 C TYR A 23 10.721 -0.749 -1.257 1.00 0.00 C ATOM 320 O TYR A 23 11.463 -0.457 -2.168 1.00 0.00 O ATOM 321 CB TYR A 23 9.288 -2.771 -1.642 1.00 0.00 C ATOM 322 CG TYR A 23 9.607 -2.862 -3.121 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.924 -2.700 -3.581 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.578 -3.115 -4.037 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.204 -2.789 -4.950 1.00 0.00 C ATOM 326 CE2 TYR A 23 8.860 -3.203 -5.404 1.00 0.00 C ATOM 327 CZ TYR A 23 10.172 -3.040 -5.861 1.00 0.00 C ATOM 328 OH TYR A 23 10.449 -3.127 -7.210 1.00 0.00 O ATOM 0 H TYR A 23 9.285 -2.545 0.854 1.00 0.00 H new ATOM 0 HA TYR A 23 11.361 -2.801 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.034 -3.758 -1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.416 -2.135 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.721 -2.507 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.564 -3.242 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.217 -2.664 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.064 -3.397 -6.108 1.00 0.00 H new ATOM 0 HH TYR A 23 9.621 -3.307 -7.703 1.00 0.00 H new ATOM 338 N VAL A 24 10.123 0.179 -0.555 1.00 0.00 N ATOM 339 CA VAL A 24 10.377 1.606 -0.891 1.00 0.00 C ATOM 340 C VAL A 24 11.761 1.967 -0.376 1.00 0.00 C ATOM 341 O VAL A 24 12.523 2.631 -1.041 1.00 0.00 O ATOM 342 CB VAL A 24 9.365 2.530 -0.220 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.682 3.977 -0.616 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.950 2.162 -0.670 1.00 0.00 C ATOM 0 H VAL A 24 9.482 0.013 0.221 1.00 0.00 H new ATOM 0 HA VAL A 24 10.295 1.731 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 24 9.425 2.423 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.966 4.649 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.690 4.232 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.616 4.081 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.231 2.825 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.873 2.269 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.736 1.130 -0.391 1.00 0.00 H new ATOM 354 N SER A 25 12.095 1.540 0.813 1.00 0.00 N ATOM 355 CA SER A 25 13.443 1.880 1.353 1.00 0.00 C ATOM 356 C SER A 25 14.534 1.403 0.380 1.00 0.00 C ATOM 357 O SER A 25 15.514 2.083 0.150 1.00 0.00 O ATOM 358 CB SER A 25 13.653 1.199 2.701 1.00 0.00 C ATOM 359 OG SER A 25 14.072 -0.140 2.483 1.00 0.00 O ATOM 0 H SER A 25 11.503 0.979 1.425 1.00 0.00 H new ATOM 0 HA SER A 25 13.505 2.961 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.401 1.738 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.729 1.215 3.279 1.00 0.00 H new ATOM 0 HG SER A 25 15.031 -0.154 2.282 1.00 0.00 H new ATOM 365 N THR A 26 14.379 0.223 -0.173 1.00 0.00 N ATOM 366 CA THR A 26 15.417 -0.321 -1.111 1.00 0.00 C ATOM 367 C THR A 26 15.303 0.320 -2.502 1.00 0.00 C ATOM 368 O THR A 26 16.263 0.835 -3.034 1.00 0.00 O ATOM 369 CB THR A 26 15.237 -1.842 -1.223 1.00 0.00 C ATOM 370 OG1 THR A 26 15.763 -2.463 -0.058 1.00 0.00 O ATOM 371 CG2 THR A 26 15.976 -2.371 -2.457 1.00 0.00 C ATOM 0 H THR A 26 13.578 -0.389 -0.016 1.00 0.00 H new ATOM 0 HA THR A 26 16.405 -0.085 -0.715 1.00 0.00 H new ATOM 0 HB THR A 26 14.175 -2.070 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.865 -1.795 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.842 -3.450 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.574 -1.897 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.038 -2.142 -2.371 1.00 0.00 H new ATOM 379 N ARG A 27 14.155 0.269 -3.106 1.00 0.00 N ATOM 380 CA ARG A 27 13.997 0.854 -4.469 1.00 0.00 C ATOM 381 C ARG A 27 14.348 2.347 -4.455 1.00 0.00 C ATOM 382 O ARG A 27 14.693 2.919 -5.469 1.00 0.00 O ATOM 383 CB ARG A 27 12.549 0.680 -4.931 1.00 0.00 C ATOM 384 CG ARG A 27 12.345 1.411 -6.258 1.00 0.00 C ATOM 385 CD ARG A 27 11.057 0.920 -6.919 1.00 0.00 C ATOM 386 NE ARG A 27 11.396 0.067 -8.092 1.00 0.00 N ATOM 387 CZ ARG A 27 10.641 0.088 -9.157 1.00 0.00 C ATOM 388 NH1 ARG A 27 9.448 0.614 -9.101 1.00 0.00 N ATOM 389 NH2 ARG A 27 11.078 -0.420 -10.276 1.00 0.00 N ATOM 0 H ARG A 27 13.312 -0.154 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 27 14.671 0.339 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.318 -0.379 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.866 1.074 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.292 2.486 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.195 1.234 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.461 0.353 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.451 1.769 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 27 12.219 -0.534 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.105 1.009 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.858 0.630 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.009 -0.834 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.488 -0.404 -11.108 1.00 0.00 H new ATOM 403 N THR A 28 14.233 2.988 -3.325 1.00 0.00 N ATOM 404 CA THR A 28 14.524 4.451 -3.265 1.00 0.00 C ATOM 405 C THR A 28 15.977 4.713 -2.829 1.00 0.00 C ATOM 406 O THR A 28 16.768 5.241 -3.585 1.00 0.00 O ATOM 407 CB THR A 28 13.544 5.113 -2.284 1.00 0.00 C ATOM 408 OG1 THR A 28 13.738 4.582 -0.981 1.00 0.00 O ATOM 409 CG2 THR A 28 12.110 4.842 -2.739 1.00 0.00 C ATOM 0 H THR A 28 13.951 2.564 -2.441 1.00 0.00 H new ATOM 0 HA THR A 28 14.399 4.879 -4.260 1.00 0.00 H new ATOM 0 HB THR A 28 13.723 6.188 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.099 3.856 -0.825 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.413 5.311 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.961 5.255 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.932 3.767 -2.761 1.00 0.00 H new ATOM 417 N CYS A 29 16.335 4.372 -1.619 1.00 0.00 N ATOM 418 CA CYS A 29 17.729 4.630 -1.151 1.00 0.00 C ATOM 419 C CYS A 29 18.558 3.353 -1.258 1.00 0.00 C ATOM 420 O CYS A 29 19.601 3.226 -0.649 1.00 0.00 O ATOM 421 CB CYS A 29 17.701 5.068 0.311 1.00 0.00 C ATOM 422 SG CYS A 29 16.273 6.137 0.600 1.00 0.00 S ATOM 0 H CYS A 29 15.723 3.926 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 29 18.171 5.410 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.651 4.195 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.620 5.598 0.559 1.00 0.00 H new ATOM 427 N GLY A 30 18.098 2.400 -2.006 1.00 0.00 N ATOM 428 CA GLY A 30 18.859 1.123 -2.126 1.00 0.00 C ATOM 429 C GLY A 30 19.081 0.539 -0.725 1.00 0.00 C ATOM 430 O GLY A 30 19.946 -0.289 -0.518 1.00 0.00 O ATOM 0 H GLY A 30 17.231 2.444 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.310 0.415 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.816 1.300 -2.616 1.00 0.00 H new ATOM 434 N VAL A 31 18.307 0.970 0.239 1.00 0.00 N ATOM 435 CA VAL A 31 18.470 0.447 1.630 1.00 0.00 C ATOM 436 C VAL A 31 17.383 -0.596 1.916 1.00 0.00 C ATOM 437 O VAL A 31 16.347 -0.613 1.286 1.00 0.00 O ATOM 438 CB VAL A 31 18.346 1.605 2.625 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.134 1.055 4.038 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.629 2.440 2.594 1.00 0.00 C ATOM 0 H VAL A 31 17.568 1.663 0.122 1.00 0.00 H new ATOM 0 HA VAL A 31 19.451 -0.017 1.733 1.00 0.00 H new ATOM 0 HB VAL A 31 17.494 2.227 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.047 1.883 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.222 0.459 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.983 0.431 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.543 3.265 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.478 1.813 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.781 2.837 1.590 1.00 0.00 H new ATOM 450 N GLY A 32 17.612 -1.470 2.859 1.00 0.00 N ATOM 451 CA GLY A 32 16.592 -2.509 3.166 1.00 0.00 C ATOM 452 C GLY A 32 17.292 -3.880 3.220 1.00 0.00 C ATOM 453 O GLY A 32 18.478 -3.942 2.966 1.00 0.00 O ATOM 0 H GLY A 32 18.458 -1.508 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.107 -2.294 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.812 -2.511 2.404 1.00 0.00 H new ATOM 457 N PRO A 33 16.579 -4.960 3.529 1.00 0.00 N ATOM 458 CA PRO A 33 17.225 -6.289 3.571 1.00 0.00 C ATOM 459 C PRO A 33 17.671 -6.702 2.163 1.00 0.00 C ATOM 460 O PRO A 33 17.384 -6.028 1.194 1.00 0.00 O ATOM 461 CB PRO A 33 16.141 -7.211 4.148 1.00 0.00 C ATOM 462 CG PRO A 33 14.796 -6.500 3.909 1.00 0.00 C ATOM 463 CD PRO A 33 15.116 -4.996 3.845 1.00 0.00 C ATOM 0 HA PRO A 33 18.130 -6.320 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.158 -8.185 3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.305 -7.386 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.334 -6.840 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.093 -6.715 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.528 -4.493 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.898 -4.499 4.790 1.00 0.00 H new ATOM 471 N ARG A 34 18.403 -7.779 2.040 1.00 0.00 N ATOM 472 CA ARG A 34 18.891 -8.192 0.692 1.00 0.00 C ATOM 473 C ARG A 34 17.912 -9.175 0.050 1.00 0.00 C ATOM 474 O ARG A 34 18.201 -10.344 -0.111 1.00 0.00 O ATOM 475 CB ARG A 34 20.262 -8.861 0.831 1.00 0.00 C ATOM 476 CG ARG A 34 21.016 -8.244 2.012 1.00 0.00 C ATOM 477 CD ARG A 34 22.505 -8.567 1.891 1.00 0.00 C ATOM 478 NE ARG A 34 22.897 -9.505 2.979 1.00 0.00 N ATOM 479 CZ ARG A 34 23.192 -10.744 2.697 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.353 -11.476 2.017 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.328 -11.251 3.095 1.00 0.00 N ATOM 0 H ARG A 34 18.682 -8.387 2.810 1.00 0.00 H new ATOM 0 HA ARG A 34 18.971 -7.308 0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.141 -9.933 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.836 -8.733 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 34 20.867 -7.164 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.624 -8.634 2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 34 22.714 -9.013 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.093 -7.652 1.955 1.00 0.00 H new ATOM 0 HE ARG A 34 22.935 -9.179 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.466 -11.079 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.584 -12.445 1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.984 -10.678 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.559 -12.220 2.875 1.00 0.00 H new ATOM 495 N LEU A 35 16.764 -8.696 -0.339 1.00 0.00 N ATOM 496 CA LEU A 35 15.767 -9.582 -0.997 1.00 0.00 C ATOM 497 C LEU A 35 15.675 -9.188 -2.470 1.00 0.00 C ATOM 498 O LEU A 35 15.402 -8.050 -2.794 1.00 0.00 O ATOM 499 CB LEU A 35 14.401 -9.401 -0.330 1.00 0.00 C ATOM 500 CG LEU A 35 14.045 -10.658 0.466 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.677 -11.787 -0.498 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.245 -11.081 1.315 1.00 0.00 C ATOM 0 H LEU A 35 16.473 -7.725 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 35 16.070 -10.625 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.420 -8.534 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.639 -9.209 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 35 13.196 -10.447 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.424 -12.682 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.821 -11.486 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.524 -11.999 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.992 -11.977 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.094 -11.291 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.505 -10.277 2.003 1.00 0.00 H new ATOM 514 N ALA A 36 15.913 -10.110 -3.364 1.00 0.00 N ATOM 515 CA ALA A 36 15.850 -9.777 -4.816 1.00 0.00 C ATOM 516 C ALA A 36 14.635 -8.856 -5.073 1.00 0.00 C ATOM 517 O ALA A 36 13.536 -9.147 -4.645 1.00 0.00 O ATOM 518 CB ALA A 36 15.720 -11.071 -5.624 1.00 0.00 C ATOM 0 H ALA A 36 16.148 -11.079 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 36 16.758 -9.259 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.673 -10.833 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.583 -11.708 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.810 -11.594 -5.329 1.00 0.00 H new ATOM 524 N THR A 37 14.825 -7.737 -5.737 1.00 0.00 N ATOM 525 CA THR A 37 13.688 -6.798 -5.981 1.00 0.00 C ATOM 526 C THR A 37 12.482 -7.526 -6.586 1.00 0.00 C ATOM 527 O THR A 37 11.354 -7.227 -6.262 1.00 0.00 O ATOM 528 CB THR A 37 14.144 -5.696 -6.939 1.00 0.00 C ATOM 529 OG1 THR A 37 15.387 -5.171 -6.494 1.00 0.00 O ATOM 530 CG2 THR A 37 13.100 -4.578 -6.973 1.00 0.00 C ATOM 0 H THR A 37 15.721 -7.436 -6.120 1.00 0.00 H new ATOM 0 HA THR A 37 13.385 -6.371 -5.025 1.00 0.00 H new ATOM 0 HB THR A 37 14.259 -6.111 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.683 -4.466 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.428 -3.795 -7.656 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.146 -4.981 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.981 -4.161 -5.973 1.00 0.00 H new ATOM 538 N GLN A 38 12.696 -8.457 -7.472 1.00 0.00 N ATOM 539 CA GLN A 38 11.534 -9.163 -8.090 1.00 0.00 C ATOM 540 C GLN A 38 10.724 -9.889 -7.014 1.00 0.00 C ATOM 541 O GLN A 38 9.511 -9.950 -7.073 1.00 0.00 O ATOM 542 CB GLN A 38 12.039 -10.173 -9.123 1.00 0.00 C ATOM 543 CG GLN A 38 10.880 -10.609 -10.022 1.00 0.00 C ATOM 544 CD GLN A 38 11.056 -12.080 -10.408 1.00 0.00 C ATOM 545 OE1 GLN A 38 10.179 -12.889 -10.183 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.163 -12.461 -10.986 1.00 0.00 N ATOM 0 H GLN A 38 13.615 -8.760 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 38 10.893 -8.430 -8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.832 -9.728 -9.724 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.468 -11.039 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.932 -10.469 -9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.848 -9.989 -10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.900 -11.781 -11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.291 -13.438 -11.249 1.00 0.00 H new ATOM 555 N GLU A 39 11.378 -10.438 -6.033 1.00 0.00 N ATOM 556 CA GLU A 39 10.643 -11.157 -4.955 1.00 0.00 C ATOM 557 C GLU A 39 9.924 -10.138 -4.071 1.00 0.00 C ATOM 558 O GLU A 39 8.915 -10.430 -3.459 1.00 0.00 O ATOM 559 CB GLU A 39 11.632 -11.959 -4.109 1.00 0.00 C ATOM 560 CG GLU A 39 12.013 -13.241 -4.852 1.00 0.00 C ATOM 561 CD GLU A 39 11.952 -14.426 -3.885 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.437 -14.285 -2.775 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.421 -15.454 -4.273 1.00 0.00 O ATOM 0 H GLU A 39 12.393 -10.421 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 39 9.915 -11.836 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.523 -11.363 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.188 -12.203 -3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.334 -13.405 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.016 -13.149 -5.269 1.00 0.00 H new ATOM 570 N MET A 40 10.437 -8.942 -4.005 1.00 0.00 N ATOM 571 CA MET A 40 9.795 -7.898 -3.170 1.00 0.00 C ATOM 572 C MET A 40 8.506 -7.450 -3.857 1.00 0.00 C ATOM 573 O MET A 40 7.417 -7.589 -3.328 1.00 0.00 O ATOM 574 CB MET A 40 10.750 -6.713 -3.062 1.00 0.00 C ATOM 575 CG MET A 40 10.413 -5.888 -1.824 1.00 0.00 C ATOM 576 SD MET A 40 11.867 -5.789 -0.749 1.00 0.00 S ATOM 577 CE MET A 40 11.301 -6.951 0.518 1.00 0.00 C ATOM 0 H MET A 40 11.279 -8.644 -4.498 1.00 0.00 H new ATOM 0 HA MET A 40 9.568 -8.284 -2.176 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.779 -7.068 -3.005 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.676 -6.092 -3.955 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.095 -4.887 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.581 -6.343 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.123 -7.179 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.480 -6.505 1.080 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.958 -7.870 0.042 1.00 0.00 H new ATOM 587 N LYS A 41 8.630 -6.925 -5.043 1.00 0.00 N ATOM 588 CA LYS A 41 7.426 -6.473 -5.791 1.00 0.00 C ATOM 589 C LYS A 41 6.435 -7.635 -5.887 1.00 0.00 C ATOM 590 O LYS A 41 5.235 -7.452 -5.820 1.00 0.00 O ATOM 591 CB LYS A 41 7.836 -6.028 -7.198 1.00 0.00 C ATOM 592 CG LYS A 41 6.629 -5.414 -7.912 1.00 0.00 C ATOM 593 CD LYS A 41 6.565 -5.933 -9.351 1.00 0.00 C ATOM 594 CE LYS A 41 6.272 -4.770 -10.301 1.00 0.00 C ATOM 595 NZ LYS A 41 7.526 -4.000 -10.544 1.00 0.00 N ATOM 0 H LYS A 41 9.517 -6.789 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 41 6.960 -5.635 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.646 -5.301 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.213 -6.879 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.712 -5.669 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.707 -4.327 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.509 -6.407 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.789 -6.694 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.876 -5.147 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.510 -4.119 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.328 -3.209 -11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.886 -3.629 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.240 -4.625 -10.970 1.00 0.00 H new ATOM 609 N ALA A 42 6.932 -8.834 -6.034 1.00 0.00 N ATOM 610 CA ALA A 42 6.023 -10.009 -6.126 1.00 0.00 C ATOM 611 C ALA A 42 5.261 -10.157 -4.807 1.00 0.00 C ATOM 612 O ALA A 42 4.070 -10.397 -4.788 1.00 0.00 O ATOM 613 CB ALA A 42 6.842 -11.274 -6.389 1.00 0.00 C ATOM 0 H ALA A 42 7.927 -9.049 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 42 5.318 -9.863 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.174 -12.133 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.388 -11.165 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.548 -11.426 -5.573 1.00 0.00 H new ATOM 619 N ARG A 43 5.941 -10.011 -3.703 1.00 0.00 N ATOM 620 CA ARG A 43 5.259 -10.141 -2.385 1.00 0.00 C ATOM 621 C ARG A 43 4.152 -9.086 -2.273 1.00 0.00 C ATOM 622 O ARG A 43 3.012 -9.397 -1.978 1.00 0.00 O ATOM 623 CB ARG A 43 6.278 -9.929 -1.262 1.00 0.00 C ATOM 624 CG ARG A 43 6.485 -11.243 -0.504 1.00 0.00 C ATOM 625 CD ARG A 43 5.907 -11.115 0.906 1.00 0.00 C ATOM 626 NE ARG A 43 6.319 -12.293 1.722 1.00 0.00 N ATOM 627 CZ ARG A 43 6.282 -13.491 1.205 1.00 0.00 C ATOM 628 NH1 ARG A 43 7.190 -13.857 0.342 1.00 0.00 N ATOM 629 NH2 ARG A 43 5.337 -14.323 1.552 1.00 0.00 N ATOM 0 H ARG A 43 6.939 -9.807 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 43 4.822 -11.136 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.225 -9.583 -1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.927 -9.155 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.999 -12.062 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.547 -11.482 -0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.259 -10.195 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.820 -11.053 0.860 1.00 0.00 H new ATOM 0 HE ARG A 43 6.630 -12.163 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.928 -13.207 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.162 -14.793 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.628 -14.037 2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.308 -15.259 1.148 1.00 0.00 H new ATOM 643 N CYS A 44 4.478 -7.841 -2.501 1.00 0.00 N ATOM 644 CA CYS A 44 3.439 -6.776 -2.397 1.00 0.00 C ATOM 645 C CYS A 44 2.263 -7.077 -3.329 1.00 0.00 C ATOM 646 O CYS A 44 1.131 -6.795 -3.003 1.00 0.00 O ATOM 647 CB CYS A 44 4.025 -5.422 -2.772 1.00 0.00 C ATOM 648 SG CYS A 44 4.888 -4.736 -1.344 1.00 0.00 S ATOM 0 H CYS A 44 5.412 -7.518 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 44 3.090 -6.752 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.713 -5.529 -3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.233 -4.746 -3.093 1.00 0.00 H new ATOM 653 N CYS A 45 2.507 -7.635 -4.490 1.00 0.00 N ATOM 654 CA CYS A 45 1.371 -7.927 -5.412 1.00 0.00 C ATOM 655 C CYS A 45 0.543 -9.072 -4.835 1.00 0.00 C ATOM 656 O CYS A 45 -0.657 -9.136 -5.023 1.00 0.00 O ATOM 657 CB CYS A 45 1.891 -8.310 -6.800 1.00 0.00 C ATOM 658 SG CYS A 45 2.387 -6.825 -7.727 1.00 0.00 S ATOM 0 H CYS A 45 3.431 -7.897 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 45 0.752 -7.035 -5.511 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.741 -8.986 -6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.118 -8.847 -7.349 1.00 0.00 H new ATOM 663 N ARG A 46 1.162 -9.970 -4.116 1.00 0.00 N ATOM 664 CA ARG A 46 0.381 -11.085 -3.524 1.00 0.00 C ATOM 665 C ARG A 46 -0.522 -10.493 -2.450 1.00 0.00 C ATOM 666 O ARG A 46 -1.638 -10.926 -2.248 1.00 0.00 O ATOM 667 CB ARG A 46 1.323 -12.115 -2.899 1.00 0.00 C ATOM 668 CG ARG A 46 0.610 -13.466 -2.819 1.00 0.00 C ATOM 669 CD ARG A 46 0.733 -14.031 -1.404 1.00 0.00 C ATOM 670 NE ARG A 46 -0.468 -14.859 -1.099 1.00 0.00 N ATOM 671 CZ ARG A 46 -0.663 -15.984 -1.731 1.00 0.00 C ATOM 672 NH1 ARG A 46 -0.908 -15.980 -3.013 1.00 0.00 N ATOM 673 NH2 ARG A 46 -0.613 -17.115 -1.079 1.00 0.00 N ATOM 0 H ARG A 46 2.162 -9.978 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.209 -11.586 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.231 -12.204 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.626 -11.791 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.441 -13.350 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.045 -14.161 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.637 -14.635 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.822 -13.219 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.138 -14.546 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.947 -15.097 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.060 -16.860 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.422 -17.118 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.765 -17.995 -1.572 1.00 0.00 H new ATOM 687 N GLN A 47 -0.046 -9.485 -1.768 1.00 0.00 N ATOM 688 CA GLN A 47 -0.882 -8.839 -0.715 1.00 0.00 C ATOM 689 C GLN A 47 -1.911 -7.919 -1.384 1.00 0.00 C ATOM 690 O GLN A 47 -2.978 -7.671 -0.858 1.00 0.00 O ATOM 691 CB GLN A 47 0.015 -8.017 0.212 1.00 0.00 C ATOM 692 CG GLN A 47 1.299 -8.796 0.499 1.00 0.00 C ATOM 693 CD GLN A 47 1.483 -8.935 2.011 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.541 -9.214 2.725 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.666 -8.752 2.531 1.00 0.00 N ATOM 0 H GLN A 47 0.883 -9.082 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.398 -9.603 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.253 -7.059 -0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.508 -7.800 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.251 -9.781 0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.155 -8.281 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.456 -8.518 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.800 -8.843 3.538 1.00 0.00 H new ATOM 704 N LEU A 48 -1.590 -7.415 -2.544 1.00 0.00 N ATOM 705 CA LEU A 48 -2.522 -6.509 -3.266 1.00 0.00 C ATOM 706 C LEU A 48 -3.726 -7.318 -3.749 1.00 0.00 C ATOM 707 O LEU A 48 -4.852 -6.865 -3.692 1.00 0.00 O ATOM 708 CB LEU A 48 -1.785 -5.886 -4.462 1.00 0.00 C ATOM 709 CG LEU A 48 -2.491 -4.605 -4.913 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.834 -4.955 -5.552 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.719 -3.691 -3.707 1.00 0.00 C ATOM 0 H LEU A 48 -0.710 -7.596 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.868 -5.714 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.754 -5.663 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.748 -6.598 -5.286 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.868 -4.090 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.334 -4.041 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.669 -5.600 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.458 -5.475 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.222 -2.780 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.338 -4.206 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.759 -3.436 -3.257 1.00 0.00 H new ATOM 723 N GLU A 49 -3.504 -8.522 -4.201 1.00 0.00 N ATOM 724 CA GLU A 49 -4.649 -9.356 -4.655 1.00 0.00 C ATOM 725 C GLU A 49 -5.354 -9.904 -3.419 1.00 0.00 C ATOM 726 O GLU A 49 -6.560 -9.827 -3.294 1.00 0.00 O ATOM 727 CB GLU A 49 -4.141 -10.513 -5.517 1.00 0.00 C ATOM 728 CG GLU A 49 -5.223 -10.911 -6.522 1.00 0.00 C ATOM 729 CD GLU A 49 -5.107 -12.404 -6.832 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.020 -12.938 -6.683 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.107 -12.990 -7.212 1.00 0.00 O ATOM 0 H GLU A 49 -2.586 -8.960 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.338 -8.758 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.232 -10.218 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.883 -11.364 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.210 -10.689 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.116 -10.329 -7.437 1.00 0.00 H new ATOM 738 N ALA A 50 -4.604 -10.434 -2.485 1.00 0.00 N ATOM 739 CA ALA A 50 -5.232 -10.956 -1.236 1.00 0.00 C ATOM 740 C ALA A 50 -6.234 -9.909 -0.764 1.00 0.00 C ATOM 741 O ALA A 50 -7.358 -10.208 -0.415 1.00 0.00 O ATOM 742 CB ALA A 50 -4.159 -11.168 -0.166 1.00 0.00 C ATOM 0 H ALA A 50 -3.589 -10.527 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.726 -11.910 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.623 -11.549 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.423 -11.886 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.666 -10.220 0.048 1.00 0.00 H new ATOM 748 N ILE A 51 -5.830 -8.673 -0.807 1.00 0.00 N ATOM 749 CA ILE A 51 -6.733 -7.556 -0.430 1.00 0.00 C ATOM 750 C ILE A 51 -7.748 -7.394 -1.564 1.00 0.00 C ATOM 751 O ILE A 51 -7.387 -6.970 -2.643 1.00 0.00 O ATOM 752 CB ILE A 51 -5.926 -6.269 -0.266 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.840 -6.483 0.792 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.856 -5.140 0.182 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.754 -5.418 0.634 1.00 0.00 C ATOM 0 H ILE A 51 -4.894 -8.385 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.236 -7.764 0.514 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.463 -6.004 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.275 -6.429 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.406 -7.478 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.282 -4.221 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.633 -4.989 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.317 -5.404 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.982 -5.571 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.312 -5.494 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.193 -4.429 0.761 1.00 0.00 H new ATOM 767 N PRO A 52 -8.972 -7.789 -1.322 1.00 0.00 N ATOM 768 CA PRO A 52 -10.018 -7.745 -2.357 1.00 0.00 C ATOM 769 C PRO A 52 -10.260 -6.316 -2.838 1.00 0.00 C ATOM 770 O PRO A 52 -10.077 -5.359 -2.111 1.00 0.00 O ATOM 771 CB PRO A 52 -11.242 -8.365 -1.671 1.00 0.00 C ATOM 772 CG PRO A 52 -10.980 -8.256 -0.154 1.00 0.00 C ATOM 773 CD PRO A 52 -9.448 -8.243 0.001 1.00 0.00 C ATOM 0 HA PRO A 52 -9.751 -8.289 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.154 -7.837 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.372 -9.405 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.423 -7.349 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.421 -9.097 0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.131 -7.568 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.061 -9.231 0.249 1.00 0.00 H new ATOM 781 N ALA A 53 -10.644 -6.182 -4.080 1.00 0.00 N ATOM 782 CA ALA A 53 -10.886 -4.838 -4.679 1.00 0.00 C ATOM 783 C ALA A 53 -11.470 -3.874 -3.648 1.00 0.00 C ATOM 784 O ALA A 53 -11.260 -2.679 -3.718 1.00 0.00 O ATOM 785 CB ALA A 53 -11.846 -4.987 -5.852 1.00 0.00 C ATOM 0 H ALA A 53 -10.803 -6.963 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.936 -4.427 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.030 -4.010 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.408 -5.650 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.788 -5.409 -5.500 1.00 0.00 H new ATOM 791 N TYR A 54 -12.198 -4.370 -2.695 1.00 0.00 N ATOM 792 CA TYR A 54 -12.784 -3.467 -1.672 1.00 0.00 C ATOM 793 C TYR A 54 -11.727 -3.107 -0.623 1.00 0.00 C ATOM 794 O TYR A 54 -11.132 -3.969 -0.008 1.00 0.00 O ATOM 795 CB TYR A 54 -13.952 -4.175 -0.985 1.00 0.00 C ATOM 796 CG TYR A 54 -15.253 -3.707 -1.589 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.323 -3.406 -2.955 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.389 -3.575 -0.783 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.532 -2.973 -3.515 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.596 -3.141 -1.342 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.669 -2.841 -2.708 1.00 0.00 C ATOM 802 OH TYR A 54 -18.860 -2.414 -3.259 1.00 0.00 O ATOM 0 H TYR A 54 -12.413 -5.360 -2.579 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.133 -2.556 -2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.854 -5.255 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.939 -3.965 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.445 -3.508 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.334 -3.808 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -16.587 -2.741 -4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.472 -3.037 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.548 -2.378 -2.562 1.00 0.00 H new ATOM 812 N CYS A 55 -11.515 -1.835 -0.396 1.00 0.00 N ATOM 813 CA CYS A 55 -10.527 -1.395 0.638 1.00 0.00 C ATOM 814 C CYS A 55 -9.088 -1.422 0.098 1.00 0.00 C ATOM 815 O CYS A 55 -8.158 -1.092 0.808 1.00 0.00 O ATOM 816 CB CYS A 55 -10.619 -2.313 1.862 1.00 0.00 C ATOM 817 SG CYS A 55 -12.356 -2.677 2.228 1.00 0.00 S ATOM 0 H CYS A 55 -11.988 -1.076 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.770 -0.369 0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.076 -3.239 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.149 -1.836 2.722 1.00 0.00 H new ATOM 822 N ARG A 56 -8.874 -1.807 -1.135 1.00 0.00 N ATOM 823 CA ARG A 56 -7.469 -1.832 -1.652 1.00 0.00 C ATOM 824 C ARG A 56 -6.768 -0.516 -1.283 1.00 0.00 C ATOM 825 O ARG A 56 -6.150 -0.414 -0.244 1.00 0.00 O ATOM 826 CB ARG A 56 -7.466 -2.015 -3.174 1.00 0.00 C ATOM 827 CG ARG A 56 -6.876 -3.386 -3.515 1.00 0.00 C ATOM 828 CD ARG A 56 -8.017 -4.377 -3.736 1.00 0.00 C ATOM 829 NE ARG A 56 -7.767 -5.207 -4.962 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.959 -4.711 -6.158 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.091 -3.887 -6.683 1.00 0.00 N ATOM 832 NH2 ARG A 56 -9.011 -5.069 -6.844 1.00 0.00 N ATOM 0 H ARG A 56 -9.594 -2.100 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.936 -2.669 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.481 -1.935 -3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.880 -1.226 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.258 -3.318 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.230 -3.730 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.116 -5.025 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.959 -3.838 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.444 -6.169 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.255 -3.625 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.249 -3.506 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.677 -5.732 -6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.166 -4.686 -7.777 1.00 0.00 H new ATOM 846 N CYS A 57 -6.847 0.483 -2.131 1.00 0.00 N ATOM 847 CA CYS A 57 -6.177 1.795 -1.839 1.00 0.00 C ATOM 848 C CYS A 57 -6.171 2.115 -0.329 1.00 0.00 C ATOM 849 O CYS A 57 -5.123 2.339 0.238 1.00 0.00 O ATOM 850 CB CYS A 57 -6.901 2.906 -2.603 1.00 0.00 C ATOM 851 SG CYS A 57 -6.430 2.822 -4.352 1.00 0.00 S ATOM 0 H CYS A 57 -7.349 0.447 -3.018 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.138 1.727 -2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.980 2.794 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.640 3.880 -2.189 1.00 0.00 H new ATOM 856 N GLU A 58 -7.316 2.159 0.319 1.00 0.00 N ATOM 857 CA GLU A 58 -7.359 2.480 1.783 1.00 0.00 C ATOM 858 C GLU A 58 -6.106 1.963 2.508 1.00 0.00 C ATOM 859 O GLU A 58 -5.460 2.696 3.227 1.00 0.00 O ATOM 860 CB GLU A 58 -8.598 1.833 2.401 1.00 0.00 C ATOM 861 CG GLU A 58 -8.808 2.380 3.813 1.00 0.00 C ATOM 862 CD GLU A 58 -10.223 2.043 4.286 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.508 0.868 4.450 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.997 2.966 4.475 1.00 0.00 O ATOM 0 H GLU A 58 -8.226 1.985 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.396 3.564 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.474 2.039 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.478 0.750 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.074 1.950 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.658 3.460 3.822 1.00 0.00 H new ATOM 871 N ALA A 59 -5.767 0.707 2.334 1.00 0.00 N ATOM 872 CA ALA A 59 -4.561 0.139 3.021 1.00 0.00 C ATOM 873 C ALA A 59 -3.445 1.181 3.100 1.00 0.00 C ATOM 874 O ALA A 59 -2.929 1.479 4.162 1.00 0.00 O ATOM 875 CB ALA A 59 -4.061 -1.079 2.239 1.00 0.00 C ATOM 0 H ALA A 59 -6.275 0.048 1.744 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.840 -0.153 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.184 -1.495 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.847 -1.833 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.795 -0.777 1.226 1.00 0.00 H new ATOM 881 N VAL A 60 -3.065 1.731 1.987 1.00 0.00 N ATOM 882 CA VAL A 60 -1.983 2.755 1.992 1.00 0.00 C ATOM 883 C VAL A 60 -2.354 3.874 2.970 1.00 0.00 C ATOM 884 O VAL A 60 -1.557 4.281 3.792 1.00 0.00 O ATOM 885 CB VAL A 60 -1.817 3.335 0.586 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.641 4.314 0.571 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.542 2.198 -0.402 1.00 0.00 C ATOM 0 H VAL A 60 -3.456 1.517 1.069 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.045 2.294 2.302 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.729 3.858 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.524 4.726 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.832 5.123 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.272 3.791 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.423 2.608 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.629 1.677 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.378 1.498 -0.393 1.00 0.00 H new ATOM 897 N ARG A 61 -3.559 4.372 2.891 1.00 0.00 N ATOM 898 CA ARG A 61 -3.980 5.460 3.821 1.00 0.00 C ATOM 899 C ARG A 61 -3.822 4.983 5.269 1.00 0.00 C ATOM 900 O ARG A 61 -3.633 5.764 6.175 1.00 0.00 O ATOM 901 CB ARG A 61 -5.446 5.819 3.560 1.00 0.00 C ATOM 902 CG ARG A 61 -5.523 7.161 2.829 1.00 0.00 C ATOM 903 CD ARG A 61 -5.755 8.283 3.842 1.00 0.00 C ATOM 904 NE ARG A 61 -6.816 9.200 3.337 1.00 0.00 N ATOM 905 CZ ARG A 61 -6.988 10.369 3.891 1.00 0.00 C ATOM 906 NH1 ARG A 61 -6.028 11.253 3.863 1.00 0.00 N ATOM 907 NH2 ARG A 61 -8.121 10.656 4.472 1.00 0.00 N ATOM 0 H ARG A 61 -4.270 4.073 2.223 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.357 6.339 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.921 5.040 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.991 5.875 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.600 7.340 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.332 7.143 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.050 7.863 4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.830 8.836 4.006 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.408 8.914 2.558 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.143 11.030 3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.163 12.167 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.872 9.966 4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.255 11.570 4.905 1.00 0.00 H new ATOM 921 N ILE A 62 -3.907 3.701 5.488 1.00 0.00 N ATOM 922 CA ILE A 62 -3.764 3.154 6.871 1.00 0.00 C ATOM 923 C ILE A 62 -2.287 3.123 7.264 1.00 0.00 C ATOM 924 O ILE A 62 -1.947 3.243 8.423 1.00 0.00 O ATOM 925 CB ILE A 62 -4.340 1.730 6.903 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.872 1.789 7.001 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.777 0.953 8.097 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.294 2.762 8.107 1.00 0.00 C ATOM 0 H ILE A 62 -4.071 3.001 4.764 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.303 3.786 7.576 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.055 1.218 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.293 2.107 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.269 0.796 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.195 -0.054 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.692 0.895 8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.043 1.464 9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.382 2.795 8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.888 2.426 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.913 3.758 7.881 1.00 0.00 H new ATOM 940 N LEU A 63 -1.403 2.957 6.324 1.00 0.00 N ATOM 941 CA LEU A 63 0.037 2.924 6.689 1.00 0.00 C ATOM 942 C LEU A 63 0.529 4.349 6.929 1.00 0.00 C ATOM 943 O LEU A 63 1.289 4.606 7.836 1.00 0.00 O ATOM 944 CB LEU A 63 0.849 2.269 5.569 1.00 0.00 C ATOM 945 CG LEU A 63 2.253 1.943 6.080 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.827 0.765 5.289 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.157 3.164 5.901 1.00 0.00 C ATOM 0 H LEU A 63 -1.611 2.844 5.332 1.00 0.00 H new ATOM 0 HA LEU A 63 0.166 2.338 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.353 1.359 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.909 2.938 4.710 1.00 0.00 H new ATOM 0 HG LEU A 63 2.201 1.679 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.828 0.534 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.184 -0.106 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.878 1.027 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.158 2.932 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.207 3.428 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.751 4.003 6.466 1.00 0.00 H new ATOM 959 N MET A 64 0.105 5.276 6.121 1.00 0.00 N ATOM 960 CA MET A 64 0.547 6.681 6.303 1.00 0.00 C ATOM 961 C MET A 64 -0.230 7.330 7.456 1.00 0.00 C ATOM 962 O MET A 64 0.347 7.872 8.378 1.00 0.00 O ATOM 963 CB MET A 64 0.271 7.452 5.012 1.00 0.00 C ATOM 964 CG MET A 64 0.634 8.925 5.203 1.00 0.00 C ATOM 965 SD MET A 64 2.374 9.060 5.683 1.00 0.00 S ATOM 966 CE MET A 64 2.219 10.571 6.665 1.00 0.00 C ATOM 0 H MET A 64 -0.531 5.119 5.339 1.00 0.00 H new ATOM 0 HA MET A 64 1.612 6.702 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.852 7.028 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.780 7.359 4.739 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.456 9.477 4.280 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.001 9.371 5.968 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.042 11.245 6.428 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.272 11.059 6.435 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.250 10.321 7.725 1.00 0.00 H new ATOM 976 N ASP A 65 -1.537 7.285 7.407 1.00 0.00 N ATOM 977 CA ASP A 65 -2.348 7.908 8.499 1.00 0.00 C ATOM 978 C ASP A 65 -2.403 6.979 9.717 1.00 0.00 C ATOM 979 O ASP A 65 -2.646 7.415 10.825 1.00 0.00 O ATOM 980 CB ASP A 65 -3.776 8.267 8.017 1.00 0.00 C ATOM 981 CG ASP A 65 -3.728 9.594 7.260 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.234 9.599 6.144 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.183 10.584 7.809 1.00 0.00 O ATOM 0 H ASP A 65 -2.077 6.846 6.661 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.859 8.838 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.164 7.479 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.452 8.344 8.868 1.00 0.00 H new ATOM 988 N GLY A 66 -2.183 5.703 9.531 1.00 0.00 N ATOM 989 CA GLY A 66 -2.232 4.768 10.687 1.00 0.00 C ATOM 990 C GLY A 66 -3.662 4.253 10.885 1.00 0.00 C ATOM 991 O GLY A 66 -4.628 4.949 10.640 1.00 0.00 O ATOM 0 H GLY A 66 -1.972 5.272 8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.555 3.930 10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.891 5.275 11.590 1.00 0.00 H new ATOM 995 N VAL A 67 -3.793 3.033 11.329 1.00 0.00 N ATOM 996 CA VAL A 67 -5.145 2.437 11.558 1.00 0.00 C ATOM 997 C VAL A 67 -5.313 2.119 13.044 1.00 0.00 C ATOM 998 O VAL A 67 -4.350 2.025 13.780 1.00 0.00 O ATOM 999 CB VAL A 67 -5.304 1.147 10.752 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.139 0.198 11.047 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.622 0.471 11.134 1.00 0.00 C ATOM 0 H VAL A 67 -3.012 2.414 11.546 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.902 3.153 11.238 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.307 1.386 9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.260 -0.718 10.469 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.200 0.678 10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.126 -0.043 12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.738 -0.449 10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.616 0.237 12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.452 1.142 10.915 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.528 1.972 13.494 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.752 1.685 14.936 1.00 0.00 C ATOM 1013 C VAL A 68 -7.348 0.284 15.101 1.00 0.00 C ATOM 1014 O VAL A 68 -7.901 -0.290 14.185 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.697 2.735 15.535 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.323 2.204 16.831 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.899 4.002 15.846 1.00 0.00 C ATOM 0 H VAL A 68 -7.373 2.038 12.926 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.798 1.727 15.462 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.490 2.955 14.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.992 2.957 17.247 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.887 1.296 16.617 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.535 1.981 17.551 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.562 4.754 16.272 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.109 3.768 16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.456 4.387 14.928 1.00 0.00 H new ATOM 1027 N THR A 69 -7.198 -0.271 16.270 1.00 0.00 N ATOM 1028 CA THR A 69 -7.702 -1.643 16.539 1.00 0.00 C ATOM 1029 C THR A 69 -8.783 -1.593 17.616 1.00 0.00 C ATOM 1030 O THR A 69 -8.883 -0.650 18.375 1.00 0.00 O ATOM 1031 CB THR A 69 -6.544 -2.527 17.008 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.951 -1.953 18.163 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.502 -2.633 15.895 1.00 0.00 C ATOM 0 H THR A 69 -6.739 0.177 17.063 1.00 0.00 H new ATOM 0 HA THR A 69 -8.128 -2.059 15.626 1.00 0.00 H new ATOM 0 HB THR A 69 -6.918 -3.522 17.249 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.780 -1.001 18.004 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.677 -3.262 16.228 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.960 -3.073 15.009 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.126 -1.639 15.653 1.00 0.00 H new ATOM 1041 N SER A 70 -9.608 -2.597 17.661 1.00 0.00 N ATOM 1042 CA SER A 70 -10.714 -2.630 18.660 1.00 0.00 C ATOM 1043 C SER A 70 -10.143 -2.723 20.072 1.00 0.00 C ATOM 1044 O SER A 70 -10.761 -2.312 21.033 1.00 0.00 O ATOM 1045 CB SER A 70 -11.602 -3.843 18.384 1.00 0.00 C ATOM 1046 OG SER A 70 -12.681 -3.855 19.309 1.00 0.00 O ATOM 0 H SER A 70 -9.565 -3.407 17.042 1.00 0.00 H new ATOM 0 HA SER A 70 -11.302 -1.716 18.578 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.983 -3.805 17.364 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.021 -4.761 18.473 1.00 0.00 H new ATOM 0 HG SER A 70 -13.253 -4.631 19.134 1.00 0.00 H new ATOM 1052 N SER A 71 -8.968 -3.256 20.200 1.00 0.00 N ATOM 1053 CA SER A 71 -8.346 -3.375 21.548 1.00 0.00 C ATOM 1054 C SER A 71 -7.922 -1.990 22.030 1.00 0.00 C ATOM 1055 O SER A 71 -7.617 -1.790 23.189 1.00 0.00 O ATOM 1056 CB SER A 71 -7.116 -4.278 21.469 1.00 0.00 C ATOM 1057 OG SER A 71 -6.405 -4.001 20.269 1.00 0.00 O ATOM 0 H SER A 71 -8.406 -3.617 19.429 1.00 0.00 H new ATOM 0 HA SER A 71 -9.067 -3.805 22.243 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.473 -4.112 22.333 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.417 -5.325 21.493 1.00 0.00 H new ATOM 0 HG SER A 71 -5.614 -4.578 20.217 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.890 -1.033 21.146 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.474 0.336 21.552 1.00 0.00 C ATOM 1065 C GLY A 72 -6.014 0.549 21.144 1.00 0.00 C ATOM 1066 O GLY A 72 -5.398 1.531 21.507 1.00 0.00 O ATOM 0 H GLY A 72 -8.134 -1.140 20.161 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.111 1.081 21.076 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.587 0.461 22.629 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.447 -0.368 20.395 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.025 -0.203 19.978 1.00 0.00 C ATOM 1072 C GLN A 73 -3.980 0.307 18.539 1.00 0.00 C ATOM 1073 O GLN A 73 -4.904 0.120 17.784 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.305 -1.550 20.075 1.00 0.00 C ATOM 1075 CG GLN A 73 -2.914 -1.814 21.531 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.428 -3.190 21.960 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.430 -3.292 22.640 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.780 -4.260 21.591 1.00 0.00 N ATOM 0 H GLN A 73 -5.906 -1.215 20.059 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.529 0.514 20.632 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.952 -2.348 19.710 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.417 -1.546 19.443 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.830 -1.769 21.641 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.332 -1.041 22.176 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.939 -4.175 21.020 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.114 -5.181 21.873 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.916 0.951 18.150 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.836 1.471 16.765 1.00 0.00 C ATOM 1089 C HIS A 74 -1.713 0.749 16.029 1.00 0.00 C ATOM 1090 O HIS A 74 -0.791 0.237 16.632 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.518 2.961 16.805 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.713 3.734 17.293 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -4.699 3.433 18.200 1.00 0.00 N flip ATOM 1094 CD2 HIS A 74 -3.995 5.013 16.839 1.00 0.00 C flip ATOM 1095 CE1 HIS A 74 -5.579 4.505 18.308 1.00 0.00 C flip ATOM 1096 NE2 HIS A 74 -5.110 5.430 17.468 1.00 0.00 N flip ATOM 0 H HIS A 74 -2.101 1.138 18.734 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.786 1.308 16.255 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.666 3.141 17.461 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.233 3.306 15.811 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.424 5.573 16.113 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.454 4.574 18.937 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.543 6.342 17.321 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.787 0.694 14.731 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.723 -0.007 13.965 1.00 0.00 C ATOM 1106 C GLU A 75 -0.384 0.779 12.706 1.00 0.00 C ATOM 1107 O GLU A 75 -0.815 1.900 12.522 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.199 -1.410 13.591 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.989 -2.007 14.756 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.052 -2.231 15.944 1.00 0.00 C ATOM 1111 OE1 GLU A 75 0.150 -2.241 15.732 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -1.551 -2.391 17.046 1.00 0.00 O ATOM 0 H GLU A 75 -2.534 1.102 14.169 1.00 0.00 H new ATOM 0 HA GLU A 75 0.171 -0.084 14.584 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.823 -1.368 12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.345 -2.044 13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.801 -1.337 15.040 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.445 -2.950 14.455 1.00 0.00 H new ATOM 1119 N GLY A 76 0.408 0.206 11.846 1.00 0.00 N ATOM 1120 CA GLY A 76 0.798 0.929 10.608 1.00 0.00 C ATOM 1121 C GLY A 76 1.379 2.284 11.005 1.00 0.00 C ATOM 1122 O GLY A 76 1.993 2.424 12.043 1.00 0.00 O ATOM 0 H GLY A 76 0.801 -0.730 11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.532 0.351 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.067 1.063 9.958 1.00 0.00 H new ATOM 1126 N ARG A 77 1.184 3.286 10.199 1.00 0.00 N ATOM 1127 CA ARG A 77 1.724 4.630 10.556 1.00 0.00 C ATOM 1128 C ARG A 77 3.220 4.516 10.868 1.00 0.00 C ATOM 1129 O ARG A 77 3.776 5.335 11.573 1.00 0.00 O ATOM 1130 CB ARG A 77 0.989 5.149 11.795 1.00 0.00 C ATOM 1131 CG ARG A 77 1.040 6.677 11.821 1.00 0.00 C ATOM 1132 CD ARG A 77 0.554 7.177 13.182 1.00 0.00 C ATOM 1133 NE ARG A 77 0.422 8.660 13.148 1.00 0.00 N ATOM 1134 CZ ARG A 77 -0.757 9.211 13.228 1.00 0.00 C ATOM 1135 NH1 ARG A 77 -1.466 9.086 14.316 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -1.228 9.893 12.219 1.00 0.00 N ATOM 0 H ARG A 77 0.679 3.237 9.314 1.00 0.00 H new ATOM 0 HA ARG A 77 1.579 5.316 9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.047 4.810 11.784 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.447 4.745 12.698 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.058 7.021 11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.416 7.087 11.027 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.405 6.721 13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.256 6.881 13.962 1.00 0.00 H new ATOM 0 HE ARG A 77 1.254 9.244 13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.098 8.556 15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.388 9.518 14.376 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.674 9.994 11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.150 10.324 12.281 1.00 0.00 H new ATOM 1150 N LEU A 78 3.876 3.503 10.363 1.00 0.00 N ATOM 1151 CA LEU A 78 5.325 3.343 10.654 1.00 0.00 C ATOM 1152 C LEU A 78 6.171 4.086 9.613 1.00 0.00 C ATOM 1153 O LEU A 78 7.362 4.249 9.789 1.00 0.00 O ATOM 1154 CB LEU A 78 5.686 1.857 10.640 1.00 0.00 C ATOM 1155 CG LEU A 78 6.226 1.452 12.013 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.062 1.298 12.995 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.973 0.122 11.894 1.00 0.00 C ATOM 0 H LEU A 78 3.470 2.784 9.764 1.00 0.00 H new ATOM 0 HA LEU A 78 5.533 3.765 11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.808 1.261 10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.433 1.660 9.871 1.00 0.00 H new ATOM 0 HG LEU A 78 6.908 2.221 12.377 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.447 1.009 13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.530 2.245 13.080 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.379 0.529 12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.358 -0.168 12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.291 -0.647 11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.802 0.232 11.195 1.00 0.00 H new ATOM 1169 N LEU A 79 5.589 4.552 8.536 1.00 0.00 N ATOM 1170 CA LEU A 79 6.411 5.281 7.535 1.00 0.00 C ATOM 1171 C LEU A 79 7.095 6.463 8.229 1.00 0.00 C ATOM 1172 O LEU A 79 6.461 7.297 8.842 1.00 0.00 O ATOM 1173 CB LEU A 79 5.534 5.734 6.345 1.00 0.00 C ATOM 1174 CG LEU A 79 4.773 7.044 6.626 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.059 6.995 7.983 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.740 8.231 6.585 1.00 0.00 C ATOM 0 H LEU A 79 4.598 4.460 8.313 1.00 0.00 H new ATOM 0 HA LEU A 79 7.180 4.625 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.164 5.867 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.818 4.947 6.108 1.00 0.00 H new ATOM 0 HG LEU A 79 4.016 7.167 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.532 7.934 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.345 6.172 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.793 6.844 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.193 9.153 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.513 8.097 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.202 8.290 5.600 1.00 0.00 H new ATOM 1188 N GLN A 80 8.397 6.527 8.167 1.00 0.00 N ATOM 1189 CA GLN A 80 9.110 7.641 8.849 1.00 0.00 C ATOM 1190 C GLN A 80 10.473 7.868 8.204 1.00 0.00 C ATOM 1191 O GLN A 80 10.846 7.217 7.250 1.00 0.00 O ATOM 1192 CB GLN A 80 9.297 7.290 10.327 1.00 0.00 C ATOM 1193 CG GLN A 80 7.937 7.298 11.030 1.00 0.00 C ATOM 1194 CD GLN A 80 8.140 7.451 12.539 1.00 0.00 C ATOM 1195 OE1 GLN A 80 8.817 8.357 12.983 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.576 6.599 13.350 1.00 0.00 N ATOM 0 H GLN A 80 8.993 5.860 7.677 1.00 0.00 H new ATOM 0 HA GLN A 80 8.520 8.553 8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.762 6.309 10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.967 8.008 10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.325 8.116 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.401 6.373 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.008 5.839 12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.703 6.693 14.358 1.00 0.00 H new ATOM 1205 N ASP A 81 11.205 8.809 8.722 1.00 0.00 N ATOM 1206 CA ASP A 81 12.542 9.124 8.155 1.00 0.00 C ATOM 1207 C ASP A 81 13.498 7.947 8.337 1.00 0.00 C ATOM 1208 O ASP A 81 14.011 7.697 9.410 1.00 0.00 O ATOM 1209 CB ASP A 81 13.118 10.353 8.860 1.00 0.00 C ATOM 1210 CG ASP A 81 12.233 11.566 8.566 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.052 11.499 8.866 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.750 12.541 8.047 1.00 0.00 O ATOM 0 H ASP A 81 10.932 9.380 9.522 1.00 0.00 H new ATOM 0 HA ASP A 81 12.428 9.322 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.170 10.179 9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.136 10.539 8.517 1.00 0.00 H new ATOM 1217 N LEU A 82 13.763 7.250 7.274 1.00 0.00 N ATOM 1218 CA LEU A 82 14.714 6.108 7.321 1.00 0.00 C ATOM 1219 C LEU A 82 16.108 6.667 7.024 1.00 0.00 C ATOM 1220 O LEU A 82 16.227 7.823 6.667 1.00 0.00 O ATOM 1221 CB LEU A 82 14.298 5.079 6.258 1.00 0.00 C ATOM 1222 CG LEU A 82 13.176 4.195 6.814 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.603 3.318 5.699 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.735 3.292 7.917 1.00 0.00 C ATOM 0 H LEU A 82 13.354 7.425 6.356 1.00 0.00 H new ATOM 0 HA LEU A 82 14.714 5.616 8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.961 5.589 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.153 4.465 5.976 1.00 0.00 H new ATOM 0 HG LEU A 82 12.390 4.833 7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.806 2.692 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.203 3.951 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.392 2.685 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.937 2.664 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.524 2.662 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.143 3.907 8.719 1.00 0.00 H new ATOM 1236 N PRO A 83 17.129 5.864 7.175 1.00 0.00 N ATOM 1237 CA PRO A 83 18.502 6.323 6.917 1.00 0.00 C ATOM 1238 C PRO A 83 18.697 6.613 5.427 1.00 0.00 C ATOM 1239 O PRO A 83 18.894 5.723 4.624 1.00 0.00 O ATOM 1240 CB PRO A 83 19.378 5.171 7.422 1.00 0.00 C ATOM 1241 CG PRO A 83 18.472 3.921 7.452 1.00 0.00 C ATOM 1242 CD PRO A 83 17.029 4.444 7.589 1.00 0.00 C ATOM 0 HA PRO A 83 18.753 7.258 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.234 5.016 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.774 5.389 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.589 3.333 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.732 3.271 8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.340 3.889 6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.664 4.350 8.612 1.00 0.00 H new ATOM 1250 N GLY A 84 18.639 7.870 5.065 1.00 0.00 N ATOM 1251 CA GLY A 84 18.813 8.261 3.636 1.00 0.00 C ATOM 1252 C GLY A 84 17.449 8.305 2.930 1.00 0.00 C ATOM 1253 O GLY A 84 17.379 8.354 1.719 1.00 0.00 O ATOM 0 H GLY A 84 18.477 8.647 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.295 9.237 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.468 7.550 3.134 1.00 0.00 H new ATOM 1257 N CYS A 85 16.364 8.296 3.668 1.00 0.00 N ATOM 1258 CA CYS A 85 15.017 8.338 3.015 1.00 0.00 C ATOM 1259 C CYS A 85 14.059 9.164 3.885 1.00 0.00 C ATOM 1260 O CYS A 85 13.439 8.623 4.772 1.00 0.00 O ATOM 1261 CB CYS A 85 14.462 6.916 2.906 1.00 0.00 C ATOM 1262 SG CYS A 85 15.801 5.761 2.525 1.00 0.00 S ATOM 0 H CYS A 85 16.353 8.262 4.687 1.00 0.00 H new ATOM 0 HA CYS A 85 15.110 8.784 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.980 6.632 3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.700 6.872 2.128 1.00 0.00 H new ATOM 1267 N PRO A 86 13.963 10.448 3.636 1.00 0.00 N ATOM 1268 CA PRO A 86 13.089 11.325 4.439 1.00 0.00 C ATOM 1269 C PRO A 86 11.610 11.137 4.090 1.00 0.00 C ATOM 1270 O PRO A 86 11.263 10.708 3.008 1.00 0.00 O ATOM 1271 CB PRO A 86 13.542 12.735 4.065 1.00 0.00 C ATOM 1272 CG PRO A 86 14.259 12.619 2.700 1.00 0.00 C ATOM 1273 CD PRO A 86 14.686 11.145 2.549 1.00 0.00 C ATOM 0 HA PRO A 86 13.170 11.109 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.690 13.411 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.213 13.140 4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.595 12.915 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.125 13.279 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.413 10.749 1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.765 11.030 2.650 1.00 0.00 H new ATOM 1281 N ARG A 87 10.731 11.482 5.000 1.00 0.00 N ATOM 1282 CA ARG A 87 9.280 11.353 4.722 1.00 0.00 C ATOM 1283 C ARG A 87 8.995 11.904 3.328 1.00 0.00 C ATOM 1284 O ARG A 87 8.050 11.519 2.670 1.00 0.00 O ATOM 1285 CB ARG A 87 8.500 12.204 5.720 1.00 0.00 C ATOM 1286 CG ARG A 87 8.784 11.734 7.141 1.00 0.00 C ATOM 1287 CD ARG A 87 7.463 11.517 7.881 1.00 0.00 C ATOM 1288 NE ARG A 87 6.659 12.773 7.841 1.00 0.00 N ATOM 1289 CZ ARG A 87 6.492 13.477 8.928 1.00 0.00 C ATOM 1290 NH1 ARG A 87 5.615 13.104 9.818 1.00 0.00 N ATOM 1291 NH2 ARG A 87 7.201 14.556 9.124 1.00 0.00 N ATOM 0 H ARG A 87 10.964 11.847 5.923 1.00 0.00 H new ATOM 0 HA ARG A 87 8.988 10.306 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.779 13.252 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.432 12.135 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.358 10.808 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.390 12.473 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.906 10.701 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.656 11.229 8.914 1.00 0.00 H new ATOM 0 HE ARG A 87 6.240 13.082 6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.059 12.262 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.485 13.654 10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.886 14.850 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.070 15.105 9.973 1.00 0.00 H new ATOM 1305 N GLN A 88 9.795 12.839 2.902 1.00 0.00 N ATOM 1306 CA GLN A 88 9.576 13.478 1.569 1.00 0.00 C ATOM 1307 C GLN A 88 9.587 12.440 0.441 1.00 0.00 C ATOM 1308 O GLN A 88 8.609 12.266 -0.263 1.00 0.00 O ATOM 1309 CB GLN A 88 10.680 14.509 1.317 1.00 0.00 C ATOM 1310 CG GLN A 88 10.469 15.163 -0.051 1.00 0.00 C ATOM 1311 CD GLN A 88 11.827 15.453 -0.694 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.627 16.186 -0.147 1.00 0.00 O ATOM 1313 NE2 GLN A 88 12.123 14.903 -1.840 1.00 0.00 N ATOM 0 H GLN A 88 10.598 13.193 3.421 1.00 0.00 H new ATOM 0 HA GLN A 88 8.599 13.960 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.669 15.268 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.657 14.027 1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.884 14.505 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.902 16.088 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.451 14.288 -2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.026 15.088 -2.277 1.00 0.00 H new ATOM 1322 N VAL A 89 10.683 11.763 0.245 1.00 0.00 N ATOM 1323 CA VAL A 89 10.761 10.764 -0.847 1.00 0.00 C ATOM 1324 C VAL A 89 9.732 9.663 -0.625 1.00 0.00 C ATOM 1325 O VAL A 89 9.101 9.188 -1.550 1.00 0.00 O ATOM 1326 CB VAL A 89 12.163 10.181 -0.837 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.328 9.202 -1.995 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.161 11.320 -0.974 1.00 0.00 C ATOM 0 H VAL A 89 11.533 11.862 0.801 1.00 0.00 H new ATOM 0 HA VAL A 89 10.550 11.232 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 89 12.336 9.645 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.336 8.788 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.603 8.394 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.163 9.723 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.174 10.918 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.985 11.847 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.040 12.012 -0.140 1.00 0.00 H new ATOM 1338 N GLN A 90 9.554 9.257 0.596 1.00 0.00 N ATOM 1339 CA GLN A 90 8.560 8.188 0.879 1.00 0.00 C ATOM 1340 C GLN A 90 7.167 8.699 0.512 1.00 0.00 C ATOM 1341 O GLN A 90 6.284 7.937 0.173 1.00 0.00 O ATOM 1342 CB GLN A 90 8.602 7.829 2.365 1.00 0.00 C ATOM 1343 CG GLN A 90 9.571 6.664 2.580 1.00 0.00 C ATOM 1344 CD GLN A 90 10.919 6.996 1.938 1.00 0.00 C ATOM 1345 OE1 GLN A 90 11.375 6.293 1.058 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.581 8.045 2.344 1.00 0.00 N ATOM 0 H GLN A 90 10.052 9.617 1.410 1.00 0.00 H new ATOM 0 HA GLN A 90 8.794 7.300 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.919 8.692 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.606 7.556 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.700 6.477 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.163 5.752 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.198 8.635 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.481 8.275 1.923 1.00 0.00 H new ATOM 1355 N ARG A 91 6.969 9.986 0.573 1.00 0.00 N ATOM 1356 CA ARG A 91 5.635 10.551 0.221 1.00 0.00 C ATOM 1357 C ARG A 91 5.488 10.605 -1.302 1.00 0.00 C ATOM 1358 O ARG A 91 4.409 10.441 -1.836 1.00 0.00 O ATOM 1359 CB ARG A 91 5.498 11.960 0.803 1.00 0.00 C ATOM 1360 CG ARG A 91 4.039 12.206 1.196 1.00 0.00 C ATOM 1361 CD ARG A 91 3.740 11.499 2.518 1.00 0.00 C ATOM 1362 NE ARG A 91 2.475 10.723 2.391 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.332 11.282 2.683 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.163 11.853 3.844 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.359 11.272 1.814 1.00 0.00 N ATOM 0 H ARG A 91 7.672 10.671 0.851 1.00 0.00 H new ATOM 0 HA ARG A 91 4.854 9.916 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.145 12.071 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.819 12.701 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.853 13.276 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.374 11.837 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.562 10.834 2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.652 12.230 3.322 1.00 0.00 H new ATOM 0 HE ARG A 91 2.502 9.753 2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.924 11.863 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.270 12.290 4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.491 10.827 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.534 11.709 2.043 1.00 0.00 H new ATOM 1379 N ALA A 92 6.564 10.836 -2.008 1.00 0.00 N ATOM 1380 CA ALA A 92 6.479 10.903 -3.494 1.00 0.00 C ATOM 1381 C ALA A 92 6.202 9.505 -4.054 1.00 0.00 C ATOM 1382 O ALA A 92 5.302 9.313 -4.847 1.00 0.00 O ATOM 1383 CB ALA A 92 7.801 11.426 -4.055 1.00 0.00 C ATOM 0 H ALA A 92 7.496 10.981 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 92 5.671 11.575 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.741 11.476 -5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.997 12.421 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.610 10.754 -3.767 1.00 0.00 H new ATOM 1389 N PHE A 93 6.973 8.530 -3.656 1.00 0.00 N ATOM 1390 CA PHE A 93 6.752 7.146 -4.173 1.00 0.00 C ATOM 1391 C PHE A 93 5.568 6.493 -3.451 1.00 0.00 C ATOM 1392 O PHE A 93 4.932 5.595 -3.966 1.00 0.00 O ATOM 1393 CB PHE A 93 8.005 6.303 -3.940 1.00 0.00 C ATOM 1394 CG PHE A 93 7.714 4.875 -4.332 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.827 4.607 -5.381 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.329 3.821 -3.650 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.554 3.285 -5.748 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.058 2.497 -4.017 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.171 2.229 -5.066 1.00 0.00 C ATOM 0 H PHE A 93 7.745 8.630 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 93 6.537 7.202 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.836 6.693 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.303 6.353 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.353 5.422 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.013 4.028 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.868 3.079 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.533 1.683 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.962 1.208 -5.349 1.00 0.00 H new ATOM 1409 N ALA A 94 5.285 6.924 -2.252 1.00 0.00 N ATOM 1410 CA ALA A 94 4.164 6.324 -1.472 1.00 0.00 C ATOM 1411 C ALA A 94 2.967 6.001 -2.373 1.00 0.00 C ATOM 1412 O ALA A 94 2.479 4.888 -2.364 1.00 0.00 O ATOM 1413 CB ALA A 94 3.727 7.300 -0.379 1.00 0.00 C ATOM 0 H ALA A 94 5.787 7.673 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 94 4.518 5.393 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.908 6.863 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.567 7.501 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.395 8.232 -0.835 1.00 0.00 H new ATOM 1419 N PRO A 95 2.514 6.978 -3.119 1.00 0.00 N ATOM 1420 CA PRO A 95 1.360 6.804 -4.018 1.00 0.00 C ATOM 1421 C PRO A 95 1.731 5.928 -5.218 1.00 0.00 C ATOM 1422 O PRO A 95 2.811 5.376 -5.284 1.00 0.00 O ATOM 1423 CB PRO A 95 1.002 8.235 -4.433 1.00 0.00 C ATOM 1424 CG PRO A 95 2.268 9.088 -4.194 1.00 0.00 C ATOM 1425 CD PRO A 95 3.110 8.331 -3.149 1.00 0.00 C ATOM 0 HA PRO A 95 0.519 6.295 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.701 8.272 -5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.164 8.611 -3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.827 9.222 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.004 10.083 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.162 8.297 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.059 8.811 -2.172 1.00 0.00 H new ATOM 1433 N LYS A 96 0.834 5.776 -6.154 1.00 0.00 N ATOM 1434 CA LYS A 96 1.128 4.913 -7.334 1.00 0.00 C ATOM 1435 C LYS A 96 1.061 3.443 -6.902 1.00 0.00 C ATOM 1436 O LYS A 96 1.787 2.603 -7.395 1.00 0.00 O ATOM 1437 CB LYS A 96 2.529 5.229 -7.862 1.00 0.00 C ATOM 1438 CG LYS A 96 2.557 5.030 -9.379 1.00 0.00 C ATOM 1439 CD LYS A 96 3.563 5.999 -10.005 1.00 0.00 C ATOM 1440 CE LYS A 96 2.913 7.375 -10.166 1.00 0.00 C ATOM 1441 NZ LYS A 96 2.021 7.367 -11.360 1.00 0.00 N ATOM 0 H LYS A 96 -0.088 6.211 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 96 0.398 5.100 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.800 6.255 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.264 4.581 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.831 4.002 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.565 5.200 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.450 6.075 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.891 5.624 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.340 7.625 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.681 8.141 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.768 8.344 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.515 6.922 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.157 6.830 -11.144 1.00 0.00 H new ATOM 1455 N LEU A 97 0.203 3.138 -5.963 1.00 0.00 N ATOM 1456 CA LEU A 97 0.085 1.733 -5.461 1.00 0.00 C ATOM 1457 C LEU A 97 -0.644 0.833 -6.473 1.00 0.00 C ATOM 1458 O LEU A 97 -0.039 -0.013 -7.103 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.687 1.738 -4.139 1.00 0.00 C ATOM 1460 CG LEU A 97 -0.099 0.683 -3.201 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.003 -0.655 -3.937 1.00 0.00 C ATOM 1462 CD2 LEU A 97 1.296 1.123 -2.749 1.00 0.00 C ATOM 0 H LEU A 97 -0.426 3.806 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 97 1.089 1.335 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.630 2.723 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.742 1.531 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.745 0.571 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.422 -1.407 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.990 -0.969 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.649 -0.543 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.716 0.371 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.942 1.235 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.225 2.076 -2.225 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.940 0.979 -6.619 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.689 0.101 -7.567 1.00 0.00 C ATOM 1476 C VAL A 98 -2.495 0.542 -9.019 1.00 0.00 C ATOM 1477 O VAL A 98 -3.320 0.265 -9.866 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.178 0.140 -7.231 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.348 0.134 -5.718 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.818 1.410 -7.804 1.00 0.00 C ATOM 0 H VAL A 98 -2.508 1.666 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.300 -0.912 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.665 -0.732 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.409 0.162 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.903 -0.771 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.854 1.007 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.880 1.426 -7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.333 2.287 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.697 1.422 -8.887 1.00 0.00 H new ATOM 1490 N THR A 99 -1.430 1.208 -9.331 1.00 0.00 N ATOM 1491 CA THR A 99 -1.235 1.618 -10.745 1.00 0.00 C ATOM 1492 C THR A 99 -0.350 0.584 -11.436 1.00 0.00 C ATOM 1493 O THR A 99 0.214 -0.278 -10.794 1.00 0.00 O ATOM 1494 CB THR A 99 -0.569 2.991 -10.812 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.792 2.878 -10.421 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.294 3.951 -9.876 1.00 0.00 C ATOM 0 H THR A 99 -0.693 1.485 -8.682 1.00 0.00 H new ATOM 0 HA THR A 99 -2.203 1.678 -11.243 1.00 0.00 H new ATOM 0 HB THR A 99 -0.620 3.372 -11.832 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.842 2.680 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.820 4.932 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.337 4.037 -10.180 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.244 3.572 -8.855 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.221 0.639 -12.737 1.00 0.00 N ATOM 1505 CA GLU A 100 0.633 -0.367 -13.429 1.00 0.00 C ATOM 1506 C GLU A 100 2.096 -0.318 -12.930 1.00 0.00 C ATOM 1507 O GLU A 100 2.918 -1.085 -13.390 1.00 0.00 O ATOM 1508 CB GLU A 100 0.610 -0.091 -14.933 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.053 -1.264 -15.657 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.590 -0.789 -17.008 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -1.579 -0.074 -17.012 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.002 -1.147 -18.015 1.00 0.00 O ATOM 0 H GLU A 100 -0.665 1.329 -13.342 1.00 0.00 H new ATOM 0 HA GLU A 100 0.234 -1.357 -13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.065 0.831 -15.136 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.625 0.051 -15.303 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.667 -2.070 -15.802 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.865 -1.667 -15.052 1.00 0.00 H new ATOM 1519 N VAL A 101 2.457 0.559 -12.013 1.00 0.00 N ATOM 1520 CA VAL A 101 3.876 0.588 -11.562 1.00 0.00 C ATOM 1521 C VAL A 101 4.031 -0.175 -10.242 1.00 0.00 C ATOM 1522 O VAL A 101 5.091 -0.186 -9.649 1.00 0.00 O ATOM 1523 CB VAL A 101 4.312 2.041 -11.367 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.832 2.102 -11.202 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.899 2.861 -12.590 1.00 0.00 C ATOM 0 H VAL A 101 1.838 1.239 -11.571 1.00 0.00 H new ATOM 0 HA VAL A 101 4.500 0.111 -12.318 1.00 0.00 H new ATOM 0 HB VAL A 101 3.835 2.448 -10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.142 3.138 -11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.127 1.515 -10.332 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.311 1.696 -12.093 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.208 3.897 -12.454 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.378 2.453 -13.480 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.816 2.818 -12.708 1.00 0.00 H new ATOM 1535 N GLU A 102 2.994 -0.818 -9.772 1.00 0.00 N ATOM 1536 CA GLU A 102 3.116 -1.572 -8.492 1.00 0.00 C ATOM 1537 C GLU A 102 2.314 -2.877 -8.570 1.00 0.00 C ATOM 1538 O GLU A 102 2.824 -3.900 -8.982 1.00 0.00 O ATOM 1539 CB GLU A 102 2.599 -0.709 -7.338 1.00 0.00 C ATOM 1540 CG GLU A 102 3.783 -0.210 -6.508 1.00 0.00 C ATOM 1541 CD GLU A 102 4.181 -1.280 -5.489 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.296 -1.804 -4.833 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.364 -1.554 -5.382 1.00 0.00 O ATOM 0 H GLU A 102 2.076 -0.853 -10.215 1.00 0.00 H new ATOM 0 HA GLU A 102 4.164 -1.815 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.031 0.136 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.920 -1.288 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.627 0.018 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.517 0.714 -5.995 1.00 0.00 H new ATOM 1550 N CYS A 103 1.071 -2.861 -8.167 1.00 0.00 N ATOM 1551 CA CYS A 103 0.261 -4.110 -8.208 1.00 0.00 C ATOM 1552 C CYS A 103 -1.199 -3.763 -8.549 1.00 0.00 C ATOM 1553 O CYS A 103 -2.121 -4.319 -7.988 1.00 0.00 O ATOM 1554 CB CYS A 103 0.328 -4.779 -6.835 1.00 0.00 C ATOM 1555 SG CYS A 103 2.044 -5.257 -6.491 1.00 0.00 S ATOM 0 H CYS A 103 0.584 -2.038 -7.812 1.00 0.00 H new ATOM 0 HA CYS A 103 0.651 -4.787 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.034 -4.096 -6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.319 -5.656 -6.812 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.410 -2.828 -9.452 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.800 -2.422 -9.825 1.00 0.00 C ATOM 1562 C ASN A 104 -3.768 -3.610 -9.785 1.00 0.00 C ATOM 1563 O ASN A 104 -4.841 -3.513 -9.223 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.789 -1.835 -11.237 1.00 0.00 C ATOM 1565 CG ASN A 104 -2.243 -2.874 -12.218 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -2.999 -3.548 -12.888 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -0.954 -3.034 -12.329 1.00 0.00 N ATOM 0 H ASN A 104 -0.671 -2.328 -9.947 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.141 -1.682 -9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.797 -1.540 -11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.174 -0.936 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.580 -3.726 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.319 -2.468 -11.766 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.420 -4.725 -10.370 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.362 -5.884 -10.344 1.00 0.00 C ATOM 1576 C LEU A 105 -5.794 -5.410 -10.659 1.00 0.00 C ATOM 1577 O LEU A 105 -6.755 -6.042 -10.265 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.348 -6.521 -8.948 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.153 -7.472 -8.784 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -3.507 -8.842 -9.366 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -1.916 -6.919 -9.502 1.00 0.00 C ATOM 0 H LEU A 105 -2.538 -4.884 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.047 -6.611 -11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.301 -5.740 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.277 -7.068 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.928 -7.566 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.659 -9.517 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.370 -9.249 -8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.745 -8.737 -10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.082 -7.608 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.132 -6.806 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.654 -5.949 -9.080 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.954 -4.309 -11.355 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.328 -3.819 -11.670 1.00 0.00 C ATOM 1595 C ALA A 106 -8.068 -3.527 -10.363 1.00 0.00 C ATOM 1596 O ALA A 106 -8.206 -4.387 -9.521 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.088 -4.890 -12.457 1.00 0.00 C ATOM 0 H ALA A 106 -5.194 -3.733 -11.716 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.264 -2.910 -12.268 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.091 -4.530 -12.686 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.558 -5.104 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.156 -5.800 -11.861 1.00 0.00 H new ATOM 1603 N THR A 107 -8.540 -2.321 -10.180 1.00 0.00 N ATOM 1604 CA THR A 107 -9.261 -1.991 -8.915 1.00 0.00 C ATOM 1605 C THR A 107 -10.769 -2.155 -9.153 1.00 0.00 C ATOM 1606 O THR A 107 -11.188 -2.625 -10.192 1.00 0.00 O ATOM 1607 CB THR A 107 -8.959 -0.538 -8.523 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.842 0.332 -9.217 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.531 -0.194 -8.929 1.00 0.00 C ATOM 0 H THR A 107 -8.458 -1.554 -10.848 1.00 0.00 H new ATOM 0 HA THR A 107 -8.937 -2.655 -8.114 1.00 0.00 H new ATOM 0 HB THR A 107 -9.086 -0.422 -7.447 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.415 1.207 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.313 0.837 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.837 -0.862 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.421 -0.312 -10.007 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.590 -1.773 -8.208 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.066 -1.912 -8.406 1.00 0.00 C ATOM 1619 C ILE A 108 -13.485 -1.118 -9.647 1.00 0.00 C ATOM 1620 O ILE A 108 -14.517 -1.359 -10.240 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.804 -1.371 -7.178 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.298 -1.682 -7.306 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.608 0.143 -7.084 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.531 -3.177 -7.078 1.00 0.00 C ATOM 0 H ILE A 108 -11.306 -1.373 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.318 -2.964 -8.541 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.406 -1.843 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.865 -1.100 -6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.657 -1.394 -8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -14.135 0.524 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.545 0.367 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -14.005 0.618 -7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.595 -3.398 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.977 -3.749 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.188 -3.451 -6.080 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.680 -0.168 -10.033 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.990 0.669 -11.225 1.00 0.00 C ATOM 1638 C HIS A 109 -12.620 -0.078 -12.513 1.00 0.00 C ATOM 1639 O HIS A 109 -12.502 0.518 -13.564 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.166 1.952 -11.136 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.520 2.694 -9.880 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -12.051 2.588 -8.596 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -13.466 3.707 -9.856 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -12.694 3.518 -7.784 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -13.535 4.167 -8.593 1.00 0.00 N flip ATOM 0 H HIS A 109 -11.805 0.067 -9.564 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.056 0.894 -11.246 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.102 1.714 -11.142 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.357 2.579 -12.007 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -11.339 1.928 -8.283 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -14.043 4.062 -10.697 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -12.545 3.680 -6.727 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.429 -1.374 -12.450 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.061 -2.130 -13.679 1.00 0.00 C ATOM 1655 C GLY A 110 -10.994 -1.349 -14.445 1.00 0.00 C ATOM 1656 O GLY A 110 -10.874 -1.457 -15.648 1.00 0.00 O ATOM 0 H GLY A 110 -12.513 -1.935 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.686 -3.119 -13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.940 -2.280 -14.306 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.222 -0.556 -13.753 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.167 0.238 -14.438 1.00 0.00 C ATOM 1662 C GLY A 111 -8.037 0.561 -13.453 1.00 0.00 C ATOM 1663 O GLY A 111 -8.157 0.320 -12.269 1.00 0.00 O ATOM 0 H GLY A 111 -10.278 -0.425 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.773 -0.320 -15.287 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.592 1.161 -14.833 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.967 1.099 -13.985 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.778 1.476 -13.196 1.00 0.00 C ATOM 1669 C PRO A 112 -5.988 2.802 -12.458 1.00 0.00 C ATOM 1670 O PRO A 112 -5.422 3.815 -12.817 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.681 1.619 -14.258 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.397 1.860 -15.607 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.847 1.380 -15.432 1.00 0.00 C ATOM 0 HA PRO A 112 -5.542 0.746 -12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.017 2.449 -14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.065 0.721 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.369 2.916 -15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.903 1.313 -16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.559 2.142 -15.750 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.046 0.489 -16.028 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.777 2.800 -11.418 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.995 4.061 -10.651 1.00 0.00 C ATOM 1683 C PHE A 113 -8.101 3.853 -9.608 1.00 0.00 C ATOM 1684 O PHE A 113 -9.012 3.074 -9.811 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.408 5.185 -11.605 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.551 4.727 -12.482 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.864 4.747 -11.995 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.296 4.295 -13.789 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.921 4.334 -12.817 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.353 3.885 -14.611 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.666 3.904 -14.125 1.00 0.00 C ATOM 0 H PHE A 113 -7.278 1.984 -11.067 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.067 4.332 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.706 6.065 -11.035 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.560 5.478 -12.223 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.062 5.080 -10.987 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.283 4.278 -14.164 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.933 4.347 -12.441 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.155 3.554 -15.620 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.481 3.587 -14.758 1.00 0.00 H new ATOM 1701 N CYS A 114 -8.044 4.547 -8.496 1.00 0.00 N ATOM 1702 CA CYS A 114 -9.109 4.378 -7.467 1.00 0.00 C ATOM 1703 C CYS A 114 -9.470 5.754 -6.870 1.00 0.00 C ATOM 1704 O CYS A 114 -8.602 6.480 -6.427 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.613 3.432 -6.361 1.00 0.00 C ATOM 1706 SG CYS A 114 -7.483 4.301 -5.239 1.00 0.00 S ATOM 0 H CYS A 114 -7.311 5.217 -8.261 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.998 3.946 -7.927 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.462 3.042 -5.800 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.105 2.577 -6.807 1.00 0.00 H new ATOM 1711 N LEU A 115 -10.732 6.127 -6.852 1.00 0.00 N ATOM 1712 CA LEU A 115 -11.105 7.454 -6.279 1.00 0.00 C ATOM 1713 C LEU A 115 -12.503 7.848 -6.757 1.00 0.00 C ATOM 1714 O LEU A 115 -13.221 7.057 -7.336 1.00 0.00 O ATOM 1715 CB LEU A 115 -10.104 8.516 -6.741 1.00 0.00 C ATOM 1716 CG LEU A 115 -9.294 9.006 -5.541 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -8.110 9.843 -6.029 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -10.188 9.863 -4.642 1.00 0.00 C ATOM 0 H LEU A 115 -11.510 5.571 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.094 7.386 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.439 8.100 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.630 9.351 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.923 8.149 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.533 10.192 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.474 9.234 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.478 10.701 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.613 10.214 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.557 10.719 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.031 9.267 -4.293 1.00 0.00 H new ATOM 1730 N SER A 116 -12.889 9.074 -6.524 1.00 0.00 N ATOM 1731 CA SER A 116 -14.234 9.536 -6.967 1.00 0.00 C ATOM 1732 C SER A 116 -14.122 10.126 -8.378 1.00 0.00 C ATOM 1733 O SER A 116 -14.950 10.909 -8.798 1.00 0.00 O ATOM 1734 CB SER A 116 -14.741 10.612 -6.006 1.00 0.00 C ATOM 1735 OG SER A 116 -16.049 10.271 -5.567 1.00 0.00 O ATOM 0 H SER A 116 -12.327 9.777 -6.044 1.00 0.00 H new ATOM 0 HA SER A 116 -14.929 8.696 -6.973 1.00 0.00 H new ATOM 0 HB2 SER A 116 -14.069 10.699 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.753 11.583 -6.502 1.00 0.00 H new ATOM 0 HG SER A 116 -16.376 10.958 -4.949 1.00 0.00 H new ATOM 1741 N LEU A 117 -13.097 9.763 -9.111 1.00 0.00 N ATOM 1742 CA LEU A 117 -12.928 10.311 -10.489 1.00 0.00 C ATOM 1743 C LEU A 117 -14.093 9.872 -11.400 1.00 0.00 C ATOM 1744 O LEU A 117 -14.166 10.262 -12.549 1.00 0.00 O ATOM 1745 CB LEU A 117 -11.583 9.833 -11.073 1.00 0.00 C ATOM 1746 CG LEU A 117 -11.630 8.349 -11.482 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.301 7.510 -10.393 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -12.399 8.193 -12.796 1.00 0.00 C ATOM 0 H LEU A 117 -12.372 9.111 -8.813 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.932 11.400 -10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.327 10.441 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -10.794 9.982 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.607 7.997 -11.616 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.324 6.465 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.738 7.602 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -13.320 7.865 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -12.428 7.141 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.417 8.562 -12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.901 8.765 -13.579 1.00 0.00 H new ATOM 1760 N LEU A 118 -14.991 9.048 -10.912 1.00 0.00 N ATOM 1761 CA LEU A 118 -16.126 8.572 -11.766 1.00 0.00 C ATOM 1762 C LEU A 118 -16.854 9.727 -12.487 1.00 0.00 C ATOM 1763 O LEU A 118 -17.501 9.507 -13.492 1.00 0.00 O ATOM 1764 CB LEU A 118 -17.127 7.776 -10.914 1.00 0.00 C ATOM 1765 CG LEU A 118 -16.640 6.334 -10.771 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -16.147 6.103 -9.341 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -17.795 5.377 -11.075 1.00 0.00 C ATOM 0 H LEU A 118 -14.987 8.685 -9.959 1.00 0.00 H new ATOM 0 HA LEU A 118 -15.698 7.930 -12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -17.230 8.235 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -18.112 7.794 -11.380 1.00 0.00 H new ATOM 0 HG LEU A 118 -15.823 6.152 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.799 5.075 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -15.327 6.787 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -16.963 6.282 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -17.451 4.348 -10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -18.611 5.557 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -18.147 5.543 -12.093 1.00 0.00 H new ATOM 1779 N GLY A 119 -16.773 10.944 -12.013 1.00 0.00 N ATOM 1780 CA GLY A 119 -17.477 12.055 -12.712 1.00 0.00 C ATOM 1781 C GLY A 119 -16.774 12.350 -14.038 1.00 0.00 C ATOM 1782 O GLY A 119 -17.082 11.767 -15.060 1.00 0.00 O ATOM 0 H GLY A 119 -16.253 11.213 -11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -18.517 11.784 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.484 12.947 -12.085 1.00 0.00 H new ATOM 1786 N ALA A 120 -15.830 13.250 -14.031 1.00 0.00 N ATOM 1787 CA ALA A 120 -15.107 13.584 -15.280 1.00 0.00 C ATOM 1788 C ALA A 120 -13.598 13.562 -14.987 1.00 0.00 C ATOM 1789 O ALA A 120 -13.095 12.619 -14.409 1.00 0.00 O ATOM 1790 CB ALA A 120 -15.578 14.964 -15.759 1.00 0.00 C ATOM 0 H ALA A 120 -15.530 13.769 -13.206 1.00 0.00 H new ATOM 0 HA ALA A 120 -15.311 12.862 -16.070 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -15.056 15.228 -16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -16.652 14.937 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -15.361 15.708 -14.993 1.00 0.00 H new ATOM 1796 N GLY A 121 -12.869 14.570 -15.371 1.00 0.00 N ATOM 1797 CA GLY A 121 -11.403 14.574 -15.100 1.00 0.00 C ATOM 1798 C GLY A 121 -10.740 13.417 -15.851 1.00 0.00 C ATOM 1799 O GLY A 121 -9.591 13.096 -15.623 1.00 0.00 O ATOM 0 H GLY A 121 -13.223 15.392 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.967 15.522 -15.414 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.220 14.479 -14.030 1.00 0.00 H new ATOM 1803 N GLU A 122 -11.454 12.787 -16.743 1.00 0.00 N ATOM 1804 CA GLU A 122 -10.861 11.652 -17.503 1.00 0.00 C ATOM 1805 C GLU A 122 -10.146 10.709 -16.533 1.00 0.00 C ATOM 1806 O GLU A 122 -8.958 10.891 -16.329 1.00 0.00 O ATOM 1807 CB GLU A 122 -9.856 12.191 -18.523 1.00 0.00 C ATOM 1808 CG GLU A 122 -10.050 11.472 -19.861 1.00 0.00 C ATOM 1809 CD GLU A 122 -11.505 11.616 -20.311 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -12.144 12.565 -19.888 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -11.955 10.774 -21.071 1.00 0.00 O ATOM 1812 OXT GLU A 122 -10.800 9.822 -16.009 1.00 0.00 O ATOM 0 H GLU A 122 -12.421 13.009 -16.978 1.00 0.00 H new ATOM 0 HA GLU A 122 -11.651 11.110 -18.023 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.993 13.265 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.839 12.041 -18.161 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.382 11.893 -20.613 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -9.792 10.418 -19.760 1.00 0.00 H new TER 1819 GLU A 122