USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 701 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 Single : A 1 MET CE :methyl -139:sc= -0.384 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -109:sc= -7.78! (180deg=-9.42!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0144) USER MOD Single : A 4 SER OG : rot 53:sc= 1.1 USER MOD Single : A 5 ASN : amide:sc= -3.4! C(o=-3.4!,f=-6.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -3.35! USER MOD Single : A 9 MET CE :methyl 151:sc= -15.4! (180deg=-16.8!) USER MOD Single : A 17 THR OG1 : rot -59:sc= -1.02 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0276) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-7.9!) USER MOD Single : A 46 ASN : amide:sc= -2.68 K(o=-2.7,f=-7.1!) USER MOD Single : A 54 ASN : amide:sc= 0.905 K(o=0.9,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -153:sc=-0.00606 (180deg=-0.564) USER MOD Single : A 65 CYS SG : rot -13:sc= 0.353 USER MOD Single : A 68 ASN : amide:sc= -17.5! C(o=-17!,f=-25!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 85 MET CE :methyl 180:sc= -13.8! (180deg=-13.8!) USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= -1.01 (180deg=-1.04) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -156:sc= -0.0152 (180deg=-0.576) USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= -0.0557 (180deg=-0.108) USER MOD Single : A 104 ASN : amide:sc= -0.908 K(o=-0.91,f=-5.6!) USER MOD Single : A 105 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.816 16.898 -0.461 1.00 0.00 N ATOM 2 CA MET A 1 3.244 18.123 -1.113 1.00 0.00 C ATOM 3 C MET A 1 2.046 19.006 -1.466 1.00 0.00 C ATOM 4 O MET A 1 1.202 18.618 -2.272 1.00 0.00 O ATOM 5 CB MET A 1 4.018 17.780 -2.387 1.00 0.00 C ATOM 6 CG MET A 1 5.508 17.597 -2.093 1.00 0.00 C ATOM 7 SD MET A 1 6.252 19.173 -1.704 1.00 0.00 S ATOM 8 CE MET A 1 6.551 18.952 0.042 1.00 0.00 C ATOM 0 H1 MET A 1 3.082 16.928 0.544 1.00 0.00 H new ATOM 0 H2 MET A 1 1.784 16.803 -0.543 1.00 0.00 H new ATOM 0 H3 MET A 1 3.276 16.084 -0.916 1.00 0.00 H new ATOM 0 HA MET A 1 3.885 18.673 -0.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.616 16.867 -2.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.884 18.573 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.641 16.907 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.006 17.154 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.308 19.873 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.927 18.141 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.601 18.707 0.203 1.00 0.00 H new ATOM 16 N SER A 2 2.009 20.175 -0.843 1.00 0.00 N ATOM 17 CA SER A 2 0.927 21.116 -1.083 1.00 0.00 C ATOM 18 C SER A 2 1.263 22.008 -2.279 1.00 0.00 C ATOM 19 O SER A 2 0.613 23.029 -2.497 1.00 0.00 O ATOM 20 CB SER A 2 0.656 21.970 0.157 1.00 0.00 C ATOM 21 OG SER A 2 -0.365 21.410 0.977 1.00 0.00 O ATOM 0 H SER A 2 2.710 20.492 -0.173 1.00 0.00 H new ATOM 0 HA SER A 2 0.023 20.548 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.574 22.069 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.364 22.974 -0.151 1.00 0.00 H new ATOM 0 HG SER A 2 -0.508 21.983 1.759 1.00 0.00 H new ATOM 26 N LYS A 3 2.278 21.590 -3.022 1.00 0.00 N ATOM 27 CA LYS A 3 2.708 22.339 -4.190 1.00 0.00 C ATOM 28 C LYS A 3 1.478 22.864 -4.935 1.00 0.00 C ATOM 29 O LYS A 3 1.269 24.073 -5.021 1.00 0.00 O ATOM 30 CB LYS A 3 3.635 21.489 -5.059 1.00 0.00 C ATOM 31 CG LYS A 3 4.717 22.351 -5.714 1.00 0.00 C ATOM 32 CD LYS A 3 4.241 22.899 -7.061 1.00 0.00 C ATOM 33 CE LYS A 3 5.069 24.114 -7.481 1.00 0.00 C ATOM 34 NZ LYS A 3 6.470 23.719 -7.754 1.00 0.00 N ATOM 0 H LYS A 3 2.815 20.742 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 3 3.295 23.207 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.101 20.715 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.054 20.982 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.978 23.177 -5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.621 21.759 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.317 22.122 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.189 23.177 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.633 24.568 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.044 24.868 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.992 24.534 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.919 23.401 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.483 22.944 -8.448 1.00 0.00 H new ATOM 44 N SER A 4 0.696 21.929 -5.454 1.00 0.00 N ATOM 45 CA SER A 4 -0.507 22.283 -6.187 1.00 0.00 C ATOM 46 C SER A 4 -0.953 21.107 -7.060 1.00 0.00 C ATOM 47 O SER A 4 -1.311 21.293 -8.223 1.00 0.00 O ATOM 48 CB SER A 4 -0.282 23.528 -7.048 1.00 0.00 C ATOM 49 OG SER A 4 -0.684 24.719 -6.378 1.00 0.00 O ATOM 0 H SER A 4 0.872 20.927 -5.381 1.00 0.00 H new ATOM 0 HA SER A 4 -1.292 22.511 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.773 23.600 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.839 23.430 -7.980 1.00 0.00 H new ATOM 0 HG SER A 4 -0.247 24.765 -5.502 1.00 0.00 H new ATOM 54 N ASN A 5 -0.916 19.924 -6.465 1.00 0.00 N ATOM 55 CA ASN A 5 -1.310 18.718 -7.175 1.00 0.00 C ATOM 56 C ASN A 5 -0.988 17.496 -6.312 1.00 0.00 C ATOM 57 O ASN A 5 0.176 17.135 -6.152 1.00 0.00 O ATOM 58 CB ASN A 5 -0.547 18.580 -8.493 1.00 0.00 C ATOM 59 CG ASN A 5 -1.364 19.138 -9.661 1.00 0.00 C ATOM 60 OD1 ASN A 5 -2.477 19.613 -9.503 1.00 0.00 O ATOM 61 ND2 ASN A 5 -0.753 19.055 -10.839 1.00 0.00 N ATOM 0 H ASN A 5 -0.620 19.774 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.378 18.783 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.404 19.109 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.315 17.531 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.216 19.400 -11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.179 18.646 -10.902 1.00 0.00 H new ATOM 67 N THR A 6 -2.042 16.894 -5.780 1.00 0.00 N ATOM 68 CA THR A 6 -1.886 15.720 -4.937 1.00 0.00 C ATOM 69 C THR A 6 -2.705 14.553 -5.493 1.00 0.00 C ATOM 70 O THR A 6 -3.646 14.758 -6.259 1.00 0.00 O ATOM 71 CB THR A 6 -2.272 16.108 -3.509 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.522 17.509 -3.585 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.101 15.991 -2.532 1.00 0.00 C ATOM 0 H THR A 6 -3.006 17.197 -5.916 1.00 0.00 H new ATOM 0 HA THR A 6 -0.852 15.375 -4.926 1.00 0.00 H new ATOM 0 HB THR A 6 -3.091 15.473 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.781 17.844 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.430 16.278 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.744 14.961 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.294 16.650 -2.851 1.00 0.00 H new ATOM 81 N TYR A 7 -2.316 13.353 -5.086 1.00 0.00 N ATOM 82 CA TYR A 7 -3.002 12.153 -5.534 1.00 0.00 C ATOM 83 C TYR A 7 -3.446 11.299 -4.344 1.00 0.00 C ATOM 84 O TYR A 7 -3.392 11.747 -3.199 1.00 0.00 O ATOM 85 CB TYR A 7 -1.982 11.366 -6.358 1.00 0.00 C ATOM 86 CG TYR A 7 -1.564 12.059 -7.657 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.511 12.692 -8.435 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.242 12.049 -8.049 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.118 13.345 -9.658 1.00 0.00 C ATOM 90 CE2 TYR A 7 0.152 12.701 -9.272 1.00 0.00 C ATOM 91 CZ TYR A 7 -0.807 13.316 -10.016 1.00 0.00 C ATOM 92 OH TYR A 7 -0.435 13.932 -11.171 1.00 0.00 O ATOM 0 H TYR A 7 -1.535 13.186 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.892 12.412 -6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.095 11.192 -5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.400 10.389 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.546 12.698 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.498 11.552 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.848 13.846 -10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.184 12.702 -9.591 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.033 14.688 -11.346 1.00 0.00 H new ATOM 101 N ARG A 8 -3.875 10.085 -4.655 1.00 0.00 N ATOM 102 CA ARG A 8 -4.329 9.164 -3.626 1.00 0.00 C ATOM 103 C ARG A 8 -3.810 7.754 -3.909 1.00 0.00 C ATOM 104 O ARG A 8 -3.629 7.375 -5.066 1.00 0.00 O ATOM 105 CB ARG A 8 -5.856 9.133 -3.550 1.00 0.00 C ATOM 106 CG ARG A 8 -6.454 8.479 -4.798 1.00 0.00 C ATOM 107 CD ARG A 8 -7.928 8.129 -4.580 1.00 0.00 C ATOM 108 NE ARG A 8 -8.708 9.362 -4.330 1.00 0.00 N ATOM 109 CZ ARG A 8 -8.958 10.295 -5.259 1.00 0.00 C ATOM 110 NH1 ARG A 8 -8.491 10.141 -6.506 1.00 0.00 N ATOM 111 NH2 ARG A 8 -9.676 11.382 -4.941 1.00 0.00 N ATOM 0 H ARG A 8 -3.918 9.717 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.936 9.514 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.168 8.584 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.239 10.148 -3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.359 9.154 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.895 7.576 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.321 7.611 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.028 7.448 -3.735 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.079 9.511 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.945 9.314 -6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.681 10.851 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.032 11.499 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.866 12.092 -5.648 1.00 0.00 H new ATOM 122 N MET A 9 -3.583 7.014 -2.834 1.00 0.00 N ATOM 123 CA MET A 9 -3.088 5.653 -2.952 1.00 0.00 C ATOM 124 C MET A 9 -4.123 4.647 -2.445 1.00 0.00 C ATOM 125 O MET A 9 -4.671 4.811 -1.356 1.00 0.00 O ATOM 126 CB MET A 9 -1.796 5.507 -2.147 1.00 0.00 C ATOM 127 CG MET A 9 -1.489 4.036 -1.864 1.00 0.00 C ATOM 128 SD MET A 9 0.275 3.764 -1.890 1.00 0.00 S ATOM 129 CE MET A 9 0.427 2.861 -3.424 1.00 0.00 C ATOM 0 H MET A 9 -3.733 7.331 -1.876 1.00 0.00 H new ATOM 0 HA MET A 9 -2.895 5.447 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.968 5.956 -2.697 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.886 6.051 -1.207 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.895 3.752 -0.893 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.974 3.405 -2.609 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.409 3.047 -3.860 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.311 1.794 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.346 3.190 -4.118 1.00 0.00 H new ATOM 137 N LEU A 10 -4.360 3.628 -3.257 1.00 0.00 N ATOM 138 CA LEU A 10 -5.319 2.595 -2.904 1.00 0.00 C ATOM 139 C LEU A 10 -4.570 1.314 -2.536 1.00 0.00 C ATOM 140 O LEU A 10 -3.774 0.807 -3.324 1.00 0.00 O ATOM 141 CB LEU A 10 -6.343 2.409 -4.027 1.00 0.00 C ATOM 142 CG LEU A 10 -5.777 2.357 -5.448 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.351 1.171 -6.224 1.00 0.00 C ATOM 144 CD2 LEU A 10 -6.006 3.684 -6.177 1.00 0.00 C ATOM 0 H LEU A 10 -3.904 3.495 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.893 2.891 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.892 1.486 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.064 3.225 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.699 2.207 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.932 1.158 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.095 0.243 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.435 1.266 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.595 3.621 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.075 3.888 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.511 4.488 -5.633 1.00 0.00 H new ATOM 155 N VAL A 11 -4.852 0.825 -1.336 1.00 0.00 N ATOM 156 CA VAL A 11 -4.216 -0.388 -0.853 1.00 0.00 C ATOM 157 C VAL A 11 -5.211 -1.547 -0.932 1.00 0.00 C ATOM 158 O VAL A 11 -6.286 -1.488 -0.336 1.00 0.00 O ATOM 159 CB VAL A 11 -3.669 -0.165 0.558 1.00 0.00 C ATOM 160 CG1 VAL A 11 -3.075 -1.457 1.124 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.637 0.965 0.574 1.00 0.00 C ATOM 0 H VAL A 11 -5.513 1.248 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.364 -0.648 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.500 0.132 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.693 -1.272 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.847 -2.225 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.261 -1.795 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.264 1.103 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.808 0.710 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.103 1.888 0.230 1.00 0.00 H new ATOM 171 N LEU A 12 -4.820 -2.573 -1.673 1.00 0.00 N ATOM 172 CA LEU A 12 -5.666 -3.743 -1.838 1.00 0.00 C ATOM 173 C LEU A 12 -5.047 -4.924 -1.085 1.00 0.00 C ATOM 174 O LEU A 12 -3.853 -5.191 -1.217 1.00 0.00 O ATOM 175 CB LEU A 12 -5.912 -4.021 -3.322 1.00 0.00 C ATOM 176 CG LEU A 12 -4.695 -3.896 -4.240 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.852 -4.773 -5.483 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.428 -2.433 -4.600 1.00 0.00 C ATOM 0 H LEU A 12 -3.928 -2.619 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.650 -3.567 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.314 -5.029 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.681 -3.335 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.821 -4.259 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.973 -4.665 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.956 -5.815 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.739 -4.465 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.558 -2.372 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.297 -2.020 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.239 -1.863 -3.690 1.00 0.00 H new ATOM 189 N LEU A 13 -5.886 -5.597 -0.315 1.00 0.00 N ATOM 190 CA LEU A 13 -5.437 -6.744 0.458 1.00 0.00 C ATOM 191 C LEU A 13 -6.433 -7.893 0.282 1.00 0.00 C ATOM 192 O LEU A 13 -7.643 -7.670 0.255 1.00 0.00 O ATOM 193 CB LEU A 13 -5.202 -6.350 1.916 1.00 0.00 C ATOM 194 CG LEU A 13 -5.130 -7.503 2.919 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.685 -7.963 3.122 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.801 -7.123 4.242 1.00 0.00 C ATOM 0 H LEU A 13 -6.875 -5.371 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.474 -7.098 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.271 -5.786 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.002 -5.677 2.223 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.683 -8.348 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.662 -8.783 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.274 -8.301 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.089 -7.133 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.736 -7.960 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.297 -6.256 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.849 -6.882 4.062 1.00 0.00 H new ATOM 207 N GLU A 14 -5.889 -9.095 0.170 1.00 0.00 N ATOM 208 CA GLU A 14 -6.714 -10.278 -0.001 1.00 0.00 C ATOM 209 C GLU A 14 -7.140 -10.829 1.361 1.00 0.00 C ATOM 210 O GLU A 14 -6.300 -11.080 2.224 1.00 0.00 O ATOM 211 CB GLU A 14 -5.982 -11.343 -0.819 1.00 0.00 C ATOM 212 CG GLU A 14 -4.663 -11.737 -0.153 1.00 0.00 C ATOM 213 CD GLU A 14 -4.562 -13.254 0.013 1.00 0.00 C ATOM 214 OE1 GLU A 14 -5.603 -13.858 0.353 1.00 0.00 O ATOM 215 OE2 GLU A 14 -3.448 -13.776 -0.204 1.00 0.00 O ATOM 0 H GLU A 14 -4.885 -9.275 0.194 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.610 -9.996 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.616 -12.223 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.788 -10.965 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.827 -11.377 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.586 -11.255 0.822 1.00 0.00 H new ATOM 220 N ASP A 15 -8.445 -11.001 1.512 1.00 0.00 N ATOM 221 CA ASP A 15 -8.993 -11.517 2.755 1.00 0.00 C ATOM 222 C ASP A 15 -9.599 -12.899 2.504 1.00 0.00 C ATOM 223 O ASP A 15 -10.429 -13.064 1.612 1.00 0.00 O ATOM 224 CB ASP A 15 -10.099 -10.606 3.289 1.00 0.00 C ATOM 225 CG ASP A 15 -11.025 -10.018 2.223 1.00 0.00 C ATOM 226 OD1 ASP A 15 -10.553 -9.118 1.495 1.00 0.00 O ATOM 227 OD2 ASP A 15 -12.185 -10.482 2.160 1.00 0.00 O ATOM 0 H ASP A 15 -9.139 -10.792 0.794 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.185 -11.569 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.702 -11.170 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.639 -9.786 3.841 1.00 0.00 H new ATOM 231 N ASP A 16 -9.162 -13.857 3.309 1.00 0.00 N ATOM 232 CA ASP A 16 -9.651 -15.220 3.187 1.00 0.00 C ATOM 233 C ASP A 16 -10.981 -15.349 3.932 1.00 0.00 C ATOM 234 O ASP A 16 -11.059 -15.058 5.123 1.00 0.00 O ATOM 235 CB ASP A 16 -8.666 -16.216 3.801 1.00 0.00 C ATOM 236 CG ASP A 16 -8.887 -16.511 5.286 1.00 0.00 C ATOM 237 OD1 ASP A 16 -8.544 -15.624 6.097 1.00 0.00 O ATOM 238 OD2 ASP A 16 -9.394 -17.616 5.576 1.00 0.00 O ATOM 0 H ASP A 16 -8.474 -13.716 4.049 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.772 -15.441 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.727 -17.153 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.654 -15.832 3.669 1.00 0.00 H new ATOM 242 N THR A 17 -11.994 -15.785 3.198 1.00 0.00 N ATOM 243 CA THR A 17 -13.317 -15.955 3.774 1.00 0.00 C ATOM 244 C THR A 17 -13.245 -16.834 5.024 1.00 0.00 C ATOM 245 O THR A 17 -13.228 -18.060 4.926 1.00 0.00 O ATOM 246 CB THR A 17 -14.237 -16.517 2.688 1.00 0.00 C ATOM 247 OG1 THR A 17 -13.723 -15.968 1.478 1.00 0.00 O ATOM 248 CG2 THR A 17 -15.658 -15.957 2.777 1.00 0.00 C ATOM 0 H THR A 17 -11.925 -16.026 2.209 1.00 0.00 H new ATOM 0 HA THR A 17 -13.729 -15.002 4.108 1.00 0.00 H new ATOM 0 HB THR A 17 -14.269 -17.604 2.767 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.746 -14.989 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.269 -16.388 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 17 -16.089 -16.210 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.630 -14.873 2.665 1.00 0.00 H new ATOM 256 N LYS A 18 -13.205 -16.173 6.172 1.00 0.00 N ATOM 257 CA LYS A 18 -13.134 -16.879 7.440 1.00 0.00 C ATOM 258 C LYS A 18 -14.550 -17.102 7.973 1.00 0.00 C ATOM 259 O LYS A 18 -14.907 -16.590 9.034 1.00 0.00 O ATOM 260 CB LYS A 18 -12.219 -16.136 8.416 1.00 0.00 C ATOM 261 CG LYS A 18 -12.777 -14.749 8.743 1.00 0.00 C ATOM 262 CD LYS A 18 -11.680 -13.685 8.665 1.00 0.00 C ATOM 263 CE LYS A 18 -12.060 -12.444 9.474 1.00 0.00 C ATOM 264 NZ LYS A 18 -11.086 -11.355 9.244 1.00 0.00 N ATOM 0 H LYS A 18 -13.220 -15.156 6.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.685 -17.863 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.113 -16.715 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.223 -16.039 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.578 -14.502 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.213 -14.755 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.743 -14.096 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.511 -13.407 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.059 -12.111 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.094 -12.691 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.360 -10.521 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.138 -11.670 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.074 -11.108 8.234 1.00 0.00 H new ATOM 274 N ILE A 19 -15.321 -17.867 7.214 1.00 0.00 N ATOM 275 CA ILE A 19 -16.690 -18.165 7.598 1.00 0.00 C ATOM 276 C ILE A 19 -16.772 -19.607 8.102 1.00 0.00 C ATOM 277 O ILE A 19 -16.158 -20.505 7.528 1.00 0.00 O ATOM 278 CB ILE A 19 -17.648 -17.862 6.445 1.00 0.00 C ATOM 279 CG1 ILE A 19 -17.596 -16.381 6.063 1.00 0.00 C ATOM 280 CG2 ILE A 19 -19.070 -18.320 6.777 1.00 0.00 C ATOM 281 CD1 ILE A 19 -18.060 -15.500 7.225 1.00 0.00 C ATOM 0 H ILE A 19 -15.023 -18.289 6.335 1.00 0.00 H new ATOM 0 HA ILE A 19 -17.003 -17.521 8.420 1.00 0.00 H new ATOM 0 HB ILE A 19 -17.323 -18.430 5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.579 -16.110 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -18.227 -16.204 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -19.730 -18.092 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -19.073 -19.395 6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -19.421 -17.800 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -18.014 -14.452 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -19.086 -15.757 7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -17.412 -15.662 8.086 1.00 0.00 H new ATOM 292 N ASN A 20 -17.535 -19.784 9.171 1.00 0.00 N ATOM 293 CA ASN A 20 -17.705 -21.102 9.760 1.00 0.00 C ATOM 294 C ASN A 20 -18.420 -22.014 8.761 1.00 0.00 C ATOM 295 O ASN A 20 -18.386 -21.768 7.556 1.00 0.00 O ATOM 296 CB ASN A 20 -18.555 -21.033 11.030 1.00 0.00 C ATOM 297 CG ASN A 20 -18.180 -19.814 11.875 1.00 0.00 C ATOM 298 OD1 ASN A 20 -17.107 -19.733 12.450 1.00 0.00 O ATOM 299 ND2 ASN A 20 -19.119 -18.875 11.918 1.00 0.00 N ATOM 0 H ASN A 20 -18.042 -19.037 9.645 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.717 -21.490 10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -19.611 -20.984 10.763 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.416 -21.942 11.615 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.963 -18.023 12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -19.995 -19.007 11.413 1.00 0.00 H new ATOM 305 N LYS A 21 -19.052 -23.047 9.298 1.00 0.00 N ATOM 306 CA LYS A 21 -19.774 -23.997 8.468 1.00 0.00 C ATOM 307 C LYS A 21 -21.000 -23.310 7.865 1.00 0.00 C ATOM 308 O LYS A 21 -21.666 -23.873 6.997 1.00 0.00 O ATOM 309 CB LYS A 21 -20.105 -25.260 9.267 1.00 0.00 C ATOM 310 CG LYS A 21 -20.310 -26.458 8.335 1.00 0.00 C ATOM 311 CD LYS A 21 -21.264 -27.479 8.957 1.00 0.00 C ATOM 312 CE LYS A 21 -20.516 -28.748 9.369 1.00 0.00 C ATOM 313 NZ LYS A 21 -20.820 -29.095 10.776 1.00 0.00 N ATOM 0 H LYS A 21 -19.079 -23.247 10.298 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.153 -24.328 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.298 -25.473 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.006 -25.096 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.709 -26.116 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.350 -26.931 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.753 -27.042 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.049 -27.731 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.800 -29.573 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.443 -28.600 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.304 -29.959 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.528 -28.314 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.842 -29.256 10.881 1.00 0.00 H new ATOM 323 N GLU A 22 -21.263 -22.105 8.349 1.00 0.00 N ATOM 324 CA GLU A 22 -22.400 -21.339 7.870 1.00 0.00 C ATOM 325 C GLU A 22 -22.276 -21.090 6.365 1.00 0.00 C ATOM 326 O GLU A 22 -23.249 -20.718 5.712 1.00 0.00 O ATOM 327 CB GLU A 22 -22.531 -20.019 8.634 1.00 0.00 C ATOM 328 CG GLU A 22 -22.652 -20.266 10.139 1.00 0.00 C ATOM 329 CD GLU A 22 -24.099 -20.569 10.531 1.00 0.00 C ATOM 330 OE1 GLU A 22 -24.529 -21.716 10.274 1.00 0.00 O ATOM 331 OE2 GLU A 22 -24.744 -19.649 11.079 1.00 0.00 O ATOM 0 H GLU A 22 -20.708 -21.641 9.068 1.00 0.00 H new ATOM 0 HA GLU A 22 -23.306 -21.918 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.663 -19.391 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.407 -19.475 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.012 -21.100 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -22.300 -19.390 10.684 1.00 0.00 H new ATOM 336 N ASP A 23 -21.071 -21.307 5.860 1.00 0.00 N ATOM 337 CA ASP A 23 -20.808 -21.113 4.444 1.00 0.00 C ATOM 338 C ASP A 23 -19.864 -22.213 3.950 1.00 0.00 C ATOM 339 O ASP A 23 -20.275 -23.098 3.200 1.00 0.00 O ATOM 340 CB ASP A 23 -20.135 -19.763 4.188 1.00 0.00 C ATOM 341 CG ASP A 23 -19.773 -19.486 2.728 1.00 0.00 C ATOM 342 OD1 ASP A 23 -18.677 -19.930 2.322 1.00 0.00 O ATOM 343 OD2 ASP A 23 -20.600 -18.839 2.050 1.00 0.00 O ATOM 0 H ASP A 23 -20.266 -21.615 6.405 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.761 -21.146 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.798 -18.972 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.227 -19.707 4.788 1.00 0.00 H new ATOM 347 N GLU A 24 -18.619 -22.120 4.389 1.00 0.00 N ATOM 348 CA GLU A 24 -17.614 -23.096 4.002 1.00 0.00 C ATOM 349 C GLU A 24 -16.435 -23.059 4.978 1.00 0.00 C ATOM 350 O GLU A 24 -15.573 -22.186 4.882 1.00 0.00 O ATOM 351 CB GLU A 24 -17.144 -22.859 2.565 1.00 0.00 C ATOM 352 CG GLU A 24 -18.160 -23.402 1.559 1.00 0.00 C ATOM 353 CD GLU A 24 -17.462 -23.937 0.308 1.00 0.00 C ATOM 354 OE1 GLU A 24 -16.962 -25.079 0.382 1.00 0.00 O ATOM 355 OE2 GLU A 24 -17.444 -23.190 -0.695 1.00 0.00 O ATOM 0 H GLU A 24 -18.282 -21.384 5.009 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.064 -24.088 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.997 -21.792 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.179 -23.342 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.745 -24.197 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.858 -22.613 1.280 1.00 0.00 H new ATOM 360 N LYS A 25 -16.435 -24.018 5.891 1.00 0.00 N ATOM 361 CA LYS A 25 -15.376 -24.108 6.882 1.00 0.00 C ATOM 362 C LYS A 25 -14.361 -25.165 6.444 1.00 0.00 C ATOM 363 O LYS A 25 -13.208 -25.139 6.872 1.00 0.00 O ATOM 364 CB LYS A 25 -15.963 -24.357 8.273 1.00 0.00 C ATOM 365 CG LYS A 25 -14.857 -24.633 9.293 1.00 0.00 C ATOM 366 CD LYS A 25 -15.259 -24.138 10.684 1.00 0.00 C ATOM 367 CE LYS A 25 -14.042 -23.628 11.458 1.00 0.00 C ATOM 368 NZ LYS A 25 -13.785 -22.206 11.142 1.00 0.00 N ATOM 0 H LYS A 25 -17.152 -24.740 5.966 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.840 -23.162 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.544 -23.490 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.648 -25.204 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.649 -25.702 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.937 -24.140 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.996 -23.340 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.734 -24.947 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.210 -23.744 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.167 -24.227 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.956 -21.876 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.604 -22.104 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.615 -21.637 11.405 1.00 0.00 H new ATOM 378 N PHE A 26 -14.827 -26.071 5.597 1.00 0.00 N ATOM 379 CA PHE A 26 -13.975 -27.136 5.096 1.00 0.00 C ATOM 380 C PHE A 26 -12.954 -26.595 4.093 1.00 0.00 C ATOM 381 O PHE A 26 -11.804 -27.031 4.076 1.00 0.00 O ATOM 382 CB PHE A 26 -14.884 -28.141 4.388 1.00 0.00 C ATOM 383 CG PHE A 26 -15.916 -28.801 5.305 1.00 0.00 C ATOM 384 CD1 PHE A 26 -15.520 -29.724 6.221 1.00 0.00 C ATOM 385 CD2 PHE A 26 -17.231 -28.464 5.203 1.00 0.00 C ATOM 386 CE1 PHE A 26 -16.479 -30.337 7.072 1.00 0.00 C ATOM 387 CE2 PHE A 26 -18.188 -29.075 6.055 1.00 0.00 C ATOM 388 CZ PHE A 26 -17.792 -29.998 6.971 1.00 0.00 C ATOM 0 H PHE A 26 -15.784 -26.089 5.245 1.00 0.00 H new ATOM 0 HA PHE A 26 -13.428 -27.593 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.406 -27.634 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.267 -28.917 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.477 -29.991 6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.546 -27.732 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.165 -31.072 7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.231 -28.806 5.975 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.521 -30.462 7.619 1.00 0.00 H new ATOM 397 N LEU A 27 -13.411 -25.652 3.281 1.00 0.00 N ATOM 398 CA LEU A 27 -12.552 -25.048 2.278 1.00 0.00 C ATOM 399 C LEU A 27 -11.612 -24.048 2.953 1.00 0.00 C ATOM 400 O LEU A 27 -11.985 -23.402 3.930 1.00 0.00 O ATOM 401 CB LEU A 27 -13.390 -24.439 1.151 1.00 0.00 C ATOM 402 CG LEU A 27 -13.506 -22.916 1.150 1.00 0.00 C ATOM 403 CD1 LEU A 27 -13.908 -22.394 2.531 1.00 0.00 C ATOM 404 CD2 LEU A 27 -12.214 -22.267 0.648 1.00 0.00 C ATOM 0 H LEU A 27 -14.365 -25.292 3.298 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.927 -25.806 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.963 -24.752 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.394 -24.860 1.204 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.299 -22.636 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.983 -21.307 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.872 -22.817 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.155 -22.686 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.324 -21.183 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.387 -22.554 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.010 -22.602 -0.369 1.00 0.00 H new ATOM 415 N LYS A 28 -10.408 -23.953 2.406 1.00 0.00 N ATOM 416 CA LYS A 28 -9.412 -23.042 2.943 1.00 0.00 C ATOM 417 C LYS A 28 -9.864 -21.601 2.702 1.00 0.00 C ATOM 418 O LYS A 28 -9.261 -20.881 1.906 1.00 0.00 O ATOM 419 CB LYS A 28 -8.031 -23.358 2.365 1.00 0.00 C ATOM 420 CG LYS A 28 -6.922 -22.797 3.258 1.00 0.00 C ATOM 421 CD LYS A 28 -6.709 -23.681 4.489 1.00 0.00 C ATOM 422 CE LYS A 28 -7.253 -23.004 5.749 1.00 0.00 C ATOM 423 NZ LYS A 28 -7.451 -23.999 6.827 1.00 0.00 N ATOM 0 H LYS A 28 -10.101 -24.492 1.597 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.318 -23.171 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.912 -24.437 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.946 -22.935 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.994 -22.727 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.180 -21.786 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.206 -24.640 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.646 -23.889 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.560 -22.231 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.198 -22.509 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.820 -23.523 7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.129 -24.722 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.542 -24.452 7.052 1.00 0.00 H new ATOM 433 N GLY A 29 -10.921 -21.220 3.405 1.00 0.00 N ATOM 434 CA GLY A 29 -11.460 -19.877 3.279 1.00 0.00 C ATOM 435 C GLY A 29 -10.948 -19.199 2.005 1.00 0.00 C ATOM 436 O GLY A 29 -9.869 -18.609 2.003 1.00 0.00 O ATOM 0 H GLY A 29 -11.418 -21.819 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.549 -19.918 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.178 -19.285 4.149 1.00 0.00 H new ATOM 440 N LYS A 30 -11.748 -19.304 0.955 1.00 0.00 N ATOM 441 CA LYS A 30 -11.390 -18.711 -0.322 1.00 0.00 C ATOM 442 C LYS A 30 -12.358 -17.568 -0.639 1.00 0.00 C ATOM 443 O LYS A 30 -13.571 -17.770 -0.670 1.00 0.00 O ATOM 444 CB LYS A 30 -11.325 -19.783 -1.412 1.00 0.00 C ATOM 445 CG LYS A 30 -12.718 -20.078 -1.973 1.00 0.00 C ATOM 446 CD LYS A 30 -13.019 -19.195 -3.185 1.00 0.00 C ATOM 447 CE LYS A 30 -14.528 -19.043 -3.392 1.00 0.00 C ATOM 448 NZ LYS A 30 -15.135 -20.345 -3.746 1.00 0.00 N ATOM 0 H LYS A 30 -12.644 -19.791 0.962 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.391 -18.278 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.668 -19.450 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.892 -20.696 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.784 -21.128 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.468 -19.909 -1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.567 -18.213 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.568 -19.630 -4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.989 -18.655 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.722 -18.318 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.143 -20.210 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.649 -20.740 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.040 -21.001 -2.945 1.00 0.00 H new ATOM 458 N PRO A 31 -11.770 -16.364 -0.870 1.00 0.00 N ATOM 459 CA PRO A 31 -12.567 -15.190 -1.183 1.00 0.00 C ATOM 460 C PRO A 31 -13.092 -15.251 -2.619 1.00 0.00 C ATOM 461 O PRO A 31 -14.198 -14.791 -2.898 1.00 0.00 O ATOM 462 CB PRO A 31 -11.643 -14.010 -0.937 1.00 0.00 C ATOM 463 CG PRO A 31 -10.232 -14.576 -0.946 1.00 0.00 C ATOM 464 CD PRO A 31 -10.337 -16.090 -0.842 1.00 0.00 C ATOM 0 HA PRO A 31 -13.462 -15.112 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.764 -13.251 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.866 -13.532 0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.712 -14.291 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.654 -14.175 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.824 -16.580 -1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.882 -16.456 0.078 1.00 0.00 H new ATOM 469 N GLY A 32 -12.272 -15.819 -3.491 1.00 0.00 N ATOM 470 CA GLY A 32 -12.640 -15.942 -4.892 1.00 0.00 C ATOM 471 C GLY A 32 -12.104 -14.763 -5.705 1.00 0.00 C ATOM 472 O GLY A 32 -11.734 -14.923 -6.867 1.00 0.00 O ATOM 0 H GLY A 32 -11.355 -16.199 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.246 -16.875 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.725 -15.988 -4.984 1.00 0.00 H new ATOM 476 N LYS A 33 -12.078 -13.606 -5.063 1.00 0.00 N ATOM 477 CA LYS A 33 -11.594 -12.399 -5.712 1.00 0.00 C ATOM 478 C LYS A 33 -10.186 -12.081 -5.206 1.00 0.00 C ATOM 479 O LYS A 33 -9.727 -12.671 -4.229 1.00 0.00 O ATOM 480 CB LYS A 33 -12.589 -11.252 -5.523 1.00 0.00 C ATOM 481 CG LYS A 33 -13.838 -11.462 -6.381 1.00 0.00 C ATOM 482 CD LYS A 33 -15.107 -11.390 -5.528 1.00 0.00 C ATOM 483 CE LYS A 33 -15.680 -9.972 -5.516 1.00 0.00 C ATOM 484 NZ LYS A 33 -17.081 -9.975 -5.992 1.00 0.00 N ATOM 0 H LYS A 33 -12.385 -13.478 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.519 -12.551 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.873 -11.181 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.115 -10.307 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.878 -10.704 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -13.784 -12.431 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.852 -12.084 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.883 -11.704 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.634 -9.563 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.076 -9.324 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.455 -9.005 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.117 -10.345 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.658 -10.577 -5.370 1.00 0.00 H new ATOM 494 N MET A 34 -9.541 -11.151 -5.894 1.00 0.00 N ATOM 495 CA MET A 34 -8.194 -10.748 -5.526 1.00 0.00 C ATOM 496 C MET A 34 -8.222 -9.584 -4.533 1.00 0.00 C ATOM 497 O MET A 34 -9.274 -8.993 -4.294 1.00 0.00 O ATOM 498 CB MET A 34 -7.425 -10.332 -6.780 1.00 0.00 C ATOM 499 CG MET A 34 -8.040 -9.081 -7.411 1.00 0.00 C ATOM 500 SD MET A 34 -8.495 -9.411 -9.106 1.00 0.00 S ATOM 501 CE MET A 34 -7.205 -8.515 -9.953 1.00 0.00 C ATOM 0 H MET A 34 -9.926 -10.665 -6.704 1.00 0.00 H new ATOM 0 HA MET A 34 -7.699 -11.594 -5.050 1.00 0.00 H new ATOM 0 HB2 MET A 34 -6.383 -10.140 -6.525 1.00 0.00 H new ATOM 0 HB3 MET A 34 -7.431 -11.148 -7.502 1.00 0.00 H new ATOM 0 HG2 MET A 34 -8.918 -8.772 -6.844 1.00 0.00 H new ATOM 0 HG3 MET A 34 -7.328 -8.256 -7.371 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.339 -8.616 -11.030 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.253 -7.461 -9.679 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.234 -8.920 -9.668 1.00 0.00 H new ATOM 509 N HIS A 35 -7.053 -9.288 -3.984 1.00 0.00 N ATOM 510 CA HIS A 35 -6.929 -8.205 -3.024 1.00 0.00 C ATOM 511 C HIS A 35 -7.818 -7.036 -3.452 1.00 0.00 C ATOM 512 O HIS A 35 -7.701 -6.540 -4.573 1.00 0.00 O ATOM 513 CB HIS A 35 -5.465 -7.802 -2.844 1.00 0.00 C ATOM 514 CG HIS A 35 -4.603 -8.062 -4.057 1.00 0.00 C ATOM 515 ND1 HIS A 35 -5.115 -8.127 -5.339 1.00 0.00 N ATOM 516 CD2 HIS A 35 -3.259 -8.271 -4.166 1.00 0.00 C ATOM 517 CE1 HIS A 35 -4.116 -8.367 -6.177 1.00 0.00 C ATOM 518 NE2 HIS A 35 -2.967 -8.456 -5.447 1.00 0.00 N ATOM 0 H HIS A 35 -6.183 -9.780 -4.186 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.275 -8.540 -2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.418 -6.741 -2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.051 -8.344 -1.994 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.095 -8.010 -5.597 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.553 -8.284 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.198 -8.473 -7.249 1.00 0.00 H new ATOM 525 N GLU A 36 -8.687 -6.628 -2.539 1.00 0.00 N ATOM 526 CA GLU A 36 -9.593 -5.525 -2.807 1.00 0.00 C ATOM 527 C GLU A 36 -9.143 -4.272 -2.055 1.00 0.00 C ATOM 528 O GLU A 36 -8.479 -4.368 -1.023 1.00 0.00 O ATOM 529 CB GLU A 36 -11.032 -5.896 -2.445 1.00 0.00 C ATOM 530 CG GLU A 36 -11.225 -5.924 -0.927 1.00 0.00 C ATOM 531 CD GLU A 36 -12.217 -4.847 -0.481 1.00 0.00 C ATOM 532 OE1 GLU A 36 -13.195 -4.630 -1.230 1.00 0.00 O ATOM 533 OE2 GLU A 36 -11.975 -4.264 0.598 1.00 0.00 O ATOM 0 H GLU A 36 -8.783 -7.042 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.566 -5.311 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.720 -5.177 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.276 -6.872 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.586 -6.906 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.267 -5.768 -0.432 1.00 0.00 H new ATOM 538 N PHE A 37 -9.524 -3.124 -2.597 1.00 0.00 N ATOM 539 CA PHE A 37 -9.169 -1.854 -1.988 1.00 0.00 C ATOM 540 C PHE A 37 -9.716 -1.758 -0.563 1.00 0.00 C ATOM 541 O PHE A 37 -10.918 -1.898 -0.345 1.00 0.00 O ATOM 542 CB PHE A 37 -9.806 -0.755 -2.842 1.00 0.00 C ATOM 543 CG PHE A 37 -11.335 -0.771 -2.838 1.00 0.00 C ATOM 544 CD1 PHE A 37 -12.011 -1.513 -3.757 1.00 0.00 C ATOM 545 CD2 PHE A 37 -12.020 -0.046 -1.914 1.00 0.00 C ATOM 546 CE1 PHE A 37 -13.429 -1.527 -3.753 1.00 0.00 C ATOM 547 CE2 PHE A 37 -13.440 -0.060 -1.909 1.00 0.00 C ATOM 548 CZ PHE A 37 -14.115 -0.800 -2.829 1.00 0.00 C ATOM 0 H PHE A 37 -10.075 -3.048 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.085 -1.754 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.462 0.215 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.455 -0.858 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -11.467 -2.091 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.484 0.541 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.965 -2.115 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.984 0.517 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 37 -15.195 -0.811 -2.826 1.00 0.00 H new ATOM 557 N VAL A 38 -8.807 -1.518 0.370 1.00 0.00 N ATOM 558 CA VAL A 38 -9.183 -1.401 1.770 1.00 0.00 C ATOM 559 C VAL A 38 -9.549 0.053 2.075 1.00 0.00 C ATOM 560 O VAL A 38 -10.541 0.318 2.752 1.00 0.00 O ATOM 561 CB VAL A 38 -8.058 -1.934 2.661 1.00 0.00 C ATOM 562 CG1 VAL A 38 -6.888 -0.951 2.712 1.00 0.00 C ATOM 563 CG2 VAL A 38 -8.576 -2.248 4.066 1.00 0.00 C ATOM 0 H VAL A 38 -7.811 -1.401 0.185 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.062 -2.009 1.981 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.693 -2.864 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.102 -1.353 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.496 -0.800 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.231 0.002 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.758 -2.625 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.979 -1.341 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.361 -3.002 4.004 1.00 0.00 H new ATOM 573 N ASP A 39 -8.729 0.957 1.560 1.00 0.00 N ATOM 574 CA ASP A 39 -8.954 2.377 1.769 1.00 0.00 C ATOM 575 C ASP A 39 -7.979 3.176 0.901 1.00 0.00 C ATOM 576 O ASP A 39 -6.985 2.637 0.420 1.00 0.00 O ATOM 577 CB ASP A 39 -8.713 2.764 3.228 1.00 0.00 C ATOM 578 CG ASP A 39 -9.924 3.363 3.948 1.00 0.00 C ATOM 579 OD1 ASP A 39 -11.039 3.209 3.404 1.00 0.00 O ATOM 580 OD2 ASP A 39 -9.706 3.960 5.024 1.00 0.00 O ATOM 0 H ASP A 39 -7.907 0.734 0.998 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.988 2.597 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.386 1.879 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.894 3.483 3.267 1.00 0.00 H new ATOM 584 N GLU A 40 -8.300 4.450 0.727 1.00 0.00 N ATOM 585 CA GLU A 40 -7.465 5.329 -0.074 1.00 0.00 C ATOM 586 C GLU A 40 -6.932 6.480 0.782 1.00 0.00 C ATOM 587 O GLU A 40 -7.669 7.064 1.573 1.00 0.00 O ATOM 588 CB GLU A 40 -8.234 5.859 -1.286 1.00 0.00 C ATOM 589 CG GLU A 40 -8.863 4.713 -2.081 1.00 0.00 C ATOM 590 CD GLU A 40 -10.385 4.858 -2.143 1.00 0.00 C ATOM 591 OE1 GLU A 40 -10.984 5.011 -1.056 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.913 4.813 -3.274 1.00 0.00 O ATOM 0 H GLU A 40 -9.127 4.894 1.127 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.616 4.754 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.012 6.547 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.561 6.426 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.454 4.699 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.604 3.760 -1.619 1.00 0.00 H new ATOM 597 N LEU A 41 -5.652 6.769 0.595 1.00 0.00 N ATOM 598 CA LEU A 41 -5.009 7.837 1.340 1.00 0.00 C ATOM 599 C LEU A 41 -4.270 8.760 0.368 1.00 0.00 C ATOM 600 O LEU A 41 -3.750 8.305 -0.650 1.00 0.00 O ATOM 601 CB LEU A 41 -4.116 7.261 2.441 1.00 0.00 C ATOM 602 CG LEU A 41 -4.791 6.292 3.413 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.742 4.857 2.882 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.181 6.404 4.812 1.00 0.00 C ATOM 0 H LEU A 41 -5.043 6.281 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.755 8.445 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.278 6.747 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.700 8.089 3.015 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.842 6.570 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.229 4.189 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.259 4.806 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.704 4.553 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.679 5.704 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.118 6.168 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.311 7.420 5.185 1.00 0.00 H new ATOM 615 N ILE A 42 -4.246 10.037 0.717 1.00 0.00 N ATOM 616 CA ILE A 42 -3.579 11.026 -0.111 1.00 0.00 C ATOM 617 C ILE A 42 -2.106 11.114 0.291 1.00 0.00 C ATOM 618 O ILE A 42 -1.790 11.345 1.458 1.00 0.00 O ATOM 619 CB ILE A 42 -4.317 12.366 -0.045 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.820 12.174 -0.250 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.726 13.367 -1.039 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.132 11.784 -1.696 1.00 0.00 C ATOM 0 H ILE A 42 -4.678 10.410 1.562 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.605 10.725 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.179 12.784 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.187 11.401 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.346 13.095 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.268 14.310 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.675 13.535 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.813 12.970 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.208 11.654 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.786 12.570 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.625 10.850 -1.938 1.00 0.00 H new ATOM 633 N LEU A 43 -1.242 10.928 -0.696 1.00 0.00 N ATOM 634 CA LEU A 43 0.190 10.985 -0.460 1.00 0.00 C ATOM 635 C LEU A 43 0.736 12.314 -0.984 1.00 0.00 C ATOM 636 O LEU A 43 0.196 12.880 -1.934 1.00 0.00 O ATOM 637 CB LEU A 43 0.881 9.758 -1.058 1.00 0.00 C ATOM 638 CG LEU A 43 -0.042 8.642 -1.552 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.425 8.857 -3.018 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.586 7.268 -1.319 1.00 0.00 C ATOM 0 H LEU A 43 -1.507 10.737 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 43 0.401 10.952 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.501 10.086 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.552 9.341 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.963 8.677 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.081 8.050 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.942 9.811 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.475 8.863 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.091 6.493 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.531 7.204 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.766 7.126 -0.253 1.00 0.00 H new ATOM 651 N PRO A 44 1.828 12.787 -0.326 1.00 0.00 N ATOM 652 CA PRO A 44 2.453 14.040 -0.715 1.00 0.00 C ATOM 653 C PRO A 44 3.259 13.873 -2.003 1.00 0.00 C ATOM 654 O PRO A 44 4.364 14.401 -2.122 1.00 0.00 O ATOM 655 CB PRO A 44 3.311 14.438 0.475 1.00 0.00 C ATOM 656 CG PRO A 44 3.499 13.172 1.294 1.00 0.00 C ATOM 657 CD PRO A 44 2.494 12.144 0.803 1.00 0.00 C ATOM 0 HA PRO A 44 1.726 14.820 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.271 14.838 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.825 15.216 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.516 12.794 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.348 13.377 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.988 11.221 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.782 11.881 1.585 1.00 0.00 H new ATOM 662 N PHE A 45 2.675 13.137 -2.938 1.00 0.00 N ATOM 663 CA PHE A 45 3.326 12.894 -4.214 1.00 0.00 C ATOM 664 C PHE A 45 2.866 13.903 -5.267 1.00 0.00 C ATOM 665 O PHE A 45 1.668 14.117 -5.445 1.00 0.00 O ATOM 666 CB PHE A 45 2.921 11.487 -4.662 1.00 0.00 C ATOM 667 CG PHE A 45 3.233 11.187 -6.130 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.314 11.759 -6.725 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.429 10.349 -6.837 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.603 11.480 -8.088 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.719 10.071 -8.200 1.00 0.00 C ATOM 672 CZ PHE A 45 3.799 10.644 -8.796 1.00 0.00 C ATOM 0 H PHE A 45 1.758 12.701 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 45 4.406 12.992 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.433 10.756 -4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.852 11.357 -4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.952 12.424 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.571 9.895 -6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.462 11.932 -8.561 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.082 9.405 -8.763 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.018 10.434 -9.833 1.00 0.00 H new ATOM 681 N ASN A 46 3.842 14.498 -5.938 1.00 0.00 N ATOM 682 CA ASN A 46 3.552 15.480 -6.968 1.00 0.00 C ATOM 683 C ASN A 46 4.136 15.002 -8.301 1.00 0.00 C ATOM 684 O ASN A 46 5.007 14.134 -8.323 1.00 0.00 O ATOM 685 CB ASN A 46 4.181 16.832 -6.633 1.00 0.00 C ATOM 686 CG ASN A 46 3.116 17.836 -6.183 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.917 18.082 -5.006 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.447 18.400 -7.185 1.00 0.00 N ATOM 0 H ASN A 46 4.835 14.318 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 46 2.470 15.593 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.924 16.706 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.705 17.220 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.716 19.084 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.665 18.148 -8.149 1.00 0.00 H new ATOM 694 N VAL A 47 3.634 15.591 -9.375 1.00 0.00 N ATOM 695 CA VAL A 47 4.095 15.239 -10.707 1.00 0.00 C ATOM 696 C VAL A 47 5.539 15.716 -10.884 1.00 0.00 C ATOM 697 O VAL A 47 6.286 15.159 -11.686 1.00 0.00 O ATOM 698 CB VAL A 47 3.144 15.808 -11.759 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.663 15.539 -13.172 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.730 15.250 -11.580 1.00 0.00 C ATOM 0 H VAL A 47 2.912 16.311 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 47 4.091 14.157 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 47 3.099 16.888 -11.619 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.967 15.955 -13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.640 16.006 -13.296 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.753 14.464 -13.328 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.074 15.671 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.752 14.165 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.356 15.516 -10.591 1.00 0.00 H new ATOM 710 N ASP A 48 5.886 16.743 -10.122 1.00 0.00 N ATOM 711 CA ASP A 48 7.226 17.301 -10.183 1.00 0.00 C ATOM 712 C ASP A 48 8.014 16.864 -8.947 1.00 0.00 C ATOM 713 O ASP A 48 8.746 17.659 -8.360 1.00 0.00 O ATOM 714 CB ASP A 48 7.186 18.830 -10.202 1.00 0.00 C ATOM 715 CG ASP A 48 8.488 19.506 -10.634 1.00 0.00 C ATOM 716 OD1 ASP A 48 9.381 19.624 -9.768 1.00 0.00 O ATOM 717 OD2 ASP A 48 8.563 19.889 -11.822 1.00 0.00 O ATOM 0 H ASP A 48 5.262 17.203 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 48 7.699 16.941 -11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.389 19.149 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.924 19.184 -9.205 1.00 0.00 H new ATOM 721 N GLU A 49 7.840 15.600 -8.588 1.00 0.00 N ATOM 722 CA GLU A 49 8.526 15.048 -7.433 1.00 0.00 C ATOM 723 C GLU A 49 8.773 13.550 -7.629 1.00 0.00 C ATOM 724 O GLU A 49 8.814 12.793 -6.660 1.00 0.00 O ATOM 725 CB GLU A 49 7.736 15.311 -6.150 1.00 0.00 C ATOM 726 CG GLU A 49 7.824 16.783 -5.744 1.00 0.00 C ATOM 727 CD GLU A 49 9.251 17.155 -5.336 1.00 0.00 C ATOM 728 OE1 GLU A 49 9.580 16.928 -4.151 1.00 0.00 O ATOM 729 OE2 GLU A 49 9.980 17.659 -6.218 1.00 0.00 O ATOM 0 H GLU A 49 7.233 14.942 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 49 9.491 15.545 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.693 15.033 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.122 14.685 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.503 17.413 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.143 16.977 -4.915 1.00 0.00 H new ATOM 734 N LEU A 50 8.932 13.168 -8.888 1.00 0.00 N ATOM 735 CA LEU A 50 9.174 11.775 -9.223 1.00 0.00 C ATOM 736 C LEU A 50 10.544 11.357 -8.683 1.00 0.00 C ATOM 737 O LEU A 50 10.689 10.275 -8.117 1.00 0.00 O ATOM 738 CB LEU A 50 9.009 11.549 -10.726 1.00 0.00 C ATOM 739 CG LEU A 50 7.596 11.210 -11.204 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.991 10.081 -10.366 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.707 12.456 -11.213 1.00 0.00 C ATOM 0 H LEU A 50 8.898 13.799 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 50 8.433 11.133 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.341 12.447 -11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.676 10.741 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 50 7.659 10.851 -12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.986 9.859 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.613 9.190 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.942 10.389 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.708 12.188 -11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.646 12.867 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.133 13.202 -11.884 1.00 0.00 H new ATOM 752 N ASP A 51 11.515 12.237 -8.878 1.00 0.00 N ATOM 753 CA ASP A 51 12.868 11.973 -8.418 1.00 0.00 C ATOM 754 C ASP A 51 12.871 11.868 -6.891 1.00 0.00 C ATOM 755 O ASP A 51 13.417 10.918 -6.333 1.00 0.00 O ATOM 756 CB ASP A 51 13.815 13.108 -8.815 1.00 0.00 C ATOM 757 CG ASP A 51 14.023 13.279 -10.321 1.00 0.00 C ATOM 758 OD1 ASP A 51 14.645 12.371 -10.914 1.00 0.00 O ATOM 759 OD2 ASP A 51 13.556 14.313 -10.844 1.00 0.00 O ATOM 0 H ASP A 51 11.392 13.134 -9.348 1.00 0.00 H new ATOM 0 HA ASP A 51 13.206 11.044 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.429 14.043 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.784 12.933 -8.347 1.00 0.00 H new ATOM 763 N GLU A 52 12.255 12.857 -6.260 1.00 0.00 N ATOM 764 CA GLU A 52 12.180 12.887 -4.809 1.00 0.00 C ATOM 765 C GLU A 52 11.273 11.765 -4.300 1.00 0.00 C ATOM 766 O GLU A 52 11.522 11.195 -3.240 1.00 0.00 O ATOM 767 CB GLU A 52 11.695 14.250 -4.313 1.00 0.00 C ATOM 768 CG GLU A 52 12.400 14.645 -3.015 1.00 0.00 C ATOM 769 CD GLU A 52 11.618 15.728 -2.271 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.494 15.410 -1.826 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.160 16.849 -2.165 1.00 0.00 O ATOM 0 H GLU A 52 11.803 13.643 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 52 13.182 12.727 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.881 15.006 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.618 14.219 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.511 13.769 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.404 15.006 -3.238 1.00 0.00 H new ATOM 776 N LEU A 53 10.240 11.483 -5.081 1.00 0.00 N ATOM 777 CA LEU A 53 9.294 10.440 -4.721 1.00 0.00 C ATOM 778 C LEU A 53 9.966 9.072 -4.870 1.00 0.00 C ATOM 779 O LEU A 53 9.755 8.180 -4.052 1.00 0.00 O ATOM 780 CB LEU A 53 8.005 10.583 -5.534 1.00 0.00 C ATOM 781 CG LEU A 53 6.990 9.446 -5.385 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.831 9.862 -4.478 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.504 8.966 -6.754 1.00 0.00 C ATOM 0 H LEU A 53 10.038 11.958 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 53 8.999 10.538 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.520 11.517 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.271 10.671 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 53 7.487 8.603 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.124 9.037 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.216 10.119 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.326 10.727 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.784 8.158 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.029 9.793 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.352 8.604 -7.335 1.00 0.00 H new ATOM 794 N ASN A 54 10.764 8.954 -5.922 1.00 0.00 N ATOM 795 CA ASN A 54 11.470 7.712 -6.190 1.00 0.00 C ATOM 796 C ASN A 54 12.555 7.509 -5.131 1.00 0.00 C ATOM 797 O ASN A 54 12.840 6.377 -4.740 1.00 0.00 O ATOM 798 CB ASN A 54 12.148 7.747 -7.561 1.00 0.00 C ATOM 799 CG ASN A 54 11.336 6.963 -8.594 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.481 5.762 -8.753 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.477 7.707 -9.286 1.00 0.00 N ATOM 0 H ASN A 54 10.937 9.698 -6.598 1.00 0.00 H new ATOM 0 HA ASN A 54 10.743 6.900 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.260 8.780 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.151 7.326 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.890 7.277 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.406 8.708 -9.102 1.00 0.00 H new ATOM 807 N THR A 55 13.130 8.621 -4.698 1.00 0.00 N ATOM 808 CA THR A 55 14.177 8.578 -3.692 1.00 0.00 C ATOM 809 C THR A 55 13.586 8.251 -2.319 1.00 0.00 C ATOM 810 O THR A 55 14.119 7.411 -1.594 1.00 0.00 O ATOM 811 CB THR A 55 14.922 9.914 -3.728 1.00 0.00 C ATOM 812 OG1 THR A 55 16.292 9.553 -3.571 1.00 0.00 O ATOM 813 CG2 THR A 55 14.625 10.785 -2.506 1.00 0.00 C ATOM 0 H THR A 55 12.891 9.557 -5.025 1.00 0.00 H new ATOM 0 HA THR A 55 14.893 7.783 -3.901 1.00 0.00 H new ATOM 0 HB THR A 55 14.650 10.455 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.847 10.361 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.179 11.721 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.557 10.998 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.927 10.258 -1.601 1.00 0.00 H new ATOM 821 N TRP A 56 12.492 8.927 -2.004 1.00 0.00 N ATOM 822 CA TRP A 56 11.822 8.718 -0.732 1.00 0.00 C ATOM 823 C TRP A 56 11.193 7.324 -0.752 1.00 0.00 C ATOM 824 O TRP A 56 11.363 6.548 0.188 1.00 0.00 O ATOM 825 CB TRP A 56 10.805 9.829 -0.457 1.00 0.00 C ATOM 826 CG TRP A 56 9.362 9.336 -0.341 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.910 8.247 0.298 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.192 9.963 -0.908 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.541 8.128 0.184 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.090 9.204 -0.572 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.070 11.133 -1.678 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.786 9.530 -0.963 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.759 11.446 -2.060 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.639 10.691 -1.731 1.00 0.00 C ATOM 0 H TRP A 56 12.052 9.621 -2.608 1.00 0.00 H new ATOM 0 HA TRP A 56 12.535 8.767 0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.080 10.338 0.467 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.863 10.567 -1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.539 7.551 0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.965 7.386 0.582 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.919 11.742 -1.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.939 8.919 -0.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.608 12.337 -2.652 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.660 10.999 -2.067 1.00 0.00 H new ATOM 844 N PHE A 57 10.480 7.048 -1.833 1.00 0.00 N ATOM 845 CA PHE A 57 9.824 5.759 -1.987 1.00 0.00 C ATOM 846 C PHE A 57 10.840 4.617 -1.942 1.00 0.00 C ATOM 847 O PHE A 57 10.569 3.563 -1.370 1.00 0.00 O ATOM 848 CB PHE A 57 9.143 5.767 -3.358 1.00 0.00 C ATOM 849 CG PHE A 57 8.443 4.453 -3.711 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.310 4.088 -3.052 1.00 0.00 C ATOM 851 CD2 PHE A 57 8.951 3.651 -4.684 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.659 2.870 -3.380 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.300 2.432 -5.012 1.00 0.00 C ATOM 854 CZ PHE A 57 7.168 2.067 -4.353 1.00 0.00 C ATOM 0 H PHE A 57 10.341 7.693 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 57 9.110 5.605 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.412 6.575 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.889 5.986 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.906 4.725 -2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.850 3.941 -5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.759 2.581 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.704 1.795 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.673 1.140 -4.602 1.00 0.00 H new ATOM 863 N ASP A 58 11.990 4.867 -2.551 1.00 0.00 N ATOM 864 CA ASP A 58 13.049 3.872 -2.587 1.00 0.00 C ATOM 865 C ASP A 58 13.500 3.562 -1.158 1.00 0.00 C ATOM 866 O ASP A 58 13.700 2.401 -0.806 1.00 0.00 O ATOM 867 CB ASP A 58 14.262 4.387 -3.365 1.00 0.00 C ATOM 868 CG ASP A 58 15.484 3.466 -3.339 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.275 2.250 -3.135 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.600 3.999 -3.526 1.00 0.00 O ATOM 0 H ASP A 58 12.212 5.744 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 58 12.658 2.980 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.968 4.547 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.549 5.358 -2.961 1.00 0.00 H new ATOM 874 N LYS A 59 13.646 4.620 -0.375 1.00 0.00 N ATOM 875 CA LYS A 59 14.070 4.476 1.007 1.00 0.00 C ATOM 876 C LYS A 59 12.938 3.848 1.821 1.00 0.00 C ATOM 877 O LYS A 59 13.157 2.892 2.564 1.00 0.00 O ATOM 878 CB LYS A 59 14.557 5.816 1.562 1.00 0.00 C ATOM 879 CG LYS A 59 15.133 5.650 2.970 1.00 0.00 C ATOM 880 CD LYS A 59 14.026 5.345 3.981 1.00 0.00 C ATOM 881 CE LYS A 59 14.327 5.995 5.334 1.00 0.00 C ATOM 882 NZ LYS A 59 15.733 5.750 5.726 1.00 0.00 N ATOM 0 H LYS A 59 13.478 5.581 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 59 14.923 3.801 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.317 6.233 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.730 6.526 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.867 4.844 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.657 6.560 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.071 5.710 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.928 4.266 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.141 7.067 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.656 5.594 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.813 5.768 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.035 4.820 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.341 6.489 5.319 1.00 0.00 H new ATOM 892 N PHE A 60 11.749 4.413 1.656 1.00 0.00 N ATOM 893 CA PHE A 60 10.582 3.921 2.365 1.00 0.00 C ATOM 894 C PHE A 60 10.260 2.482 1.959 1.00 0.00 C ATOM 895 O PHE A 60 9.746 1.706 2.764 1.00 0.00 O ATOM 896 CB PHE A 60 9.408 4.822 1.974 1.00 0.00 C ATOM 897 CG PHE A 60 8.687 5.456 3.165 1.00 0.00 C ATOM 898 CD1 PHE A 60 7.875 4.697 3.951 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.858 6.777 3.440 1.00 0.00 C ATOM 900 CE1 PHE A 60 7.205 5.285 5.056 1.00 0.00 C ATOM 901 CE2 PHE A 60 8.187 7.364 4.547 1.00 0.00 C ATOM 902 CZ PHE A 60 7.376 6.606 5.331 1.00 0.00 C ATOM 0 H PHE A 60 11.571 5.207 1.041 1.00 0.00 H new ATOM 0 HA PHE A 60 10.767 3.935 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.773 5.614 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.691 4.238 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.740 3.648 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.503 7.379 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.559 4.683 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.322 8.413 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.867 7.053 6.172 1.00 0.00 H new ATOM 911 N ASP A 61 10.576 2.167 0.711 1.00 0.00 N ATOM 912 CA ASP A 61 10.326 0.834 0.190 1.00 0.00 C ATOM 913 C ASP A 61 11.058 -0.193 1.056 1.00 0.00 C ATOM 914 O ASP A 61 10.522 -1.261 1.347 1.00 0.00 O ATOM 915 CB ASP A 61 10.844 0.698 -1.243 1.00 0.00 C ATOM 916 CG ASP A 61 10.756 -0.711 -1.831 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.954 -1.504 -1.291 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.494 -0.965 -2.808 1.00 0.00 O ATOM 0 H ASP A 61 11.003 2.812 0.046 1.00 0.00 H new ATOM 0 HA ASP A 61 9.250 0.663 0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.282 1.378 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.884 1.022 -1.270 1.00 0.00 H new ATOM 922 N ALA A 62 12.273 0.168 1.445 1.00 0.00 N ATOM 923 CA ALA A 62 13.084 -0.709 2.272 1.00 0.00 C ATOM 924 C ALA A 62 12.582 -0.649 3.717 1.00 0.00 C ATOM 925 O ALA A 62 12.466 -1.678 4.381 1.00 0.00 O ATOM 926 CB ALA A 62 14.556 -0.310 2.150 1.00 0.00 C ATOM 0 H ALA A 62 12.714 1.055 1.203 1.00 0.00 H new ATOM 0 HA ALA A 62 12.997 -1.742 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.164 -0.968 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.872 -0.398 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.682 0.721 2.482 1.00 0.00 H new ATOM 932 N GLU A 63 12.296 0.566 4.160 1.00 0.00 N ATOM 933 CA GLU A 63 11.810 0.773 5.513 1.00 0.00 C ATOM 934 C GLU A 63 10.479 0.045 5.716 1.00 0.00 C ATOM 935 O GLU A 63 10.172 -0.399 6.821 1.00 0.00 O ATOM 936 CB GLU A 63 11.670 2.266 5.823 1.00 0.00 C ATOM 937 CG GLU A 63 12.886 2.780 6.598 1.00 0.00 C ATOM 938 CD GLU A 63 12.509 3.974 7.480 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.708 4.803 6.997 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.030 4.028 8.614 1.00 0.00 O ATOM 0 H GLU A 63 12.392 1.417 3.606 1.00 0.00 H new ATOM 0 HA GLU A 63 12.540 0.357 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.563 2.826 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.764 2.437 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.292 1.980 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.670 3.072 5.900 1.00 0.00 H new ATOM 945 N ILE A 64 9.724 -0.055 4.632 1.00 0.00 N ATOM 946 CA ILE A 64 8.435 -0.722 4.676 1.00 0.00 C ATOM 947 C ILE A 64 8.623 -2.208 4.363 1.00 0.00 C ATOM 948 O ILE A 64 7.848 -3.045 4.824 1.00 0.00 O ATOM 949 CB ILE A 64 7.436 -0.021 3.754 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.828 1.207 4.435 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.362 -0.995 3.265 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.520 0.849 5.145 1.00 0.00 C ATOM 0 H ILE A 64 9.981 0.315 3.717 1.00 0.00 H new ATOM 0 HA ILE A 64 8.008 -0.658 5.677 1.00 0.00 H new ATOM 0 HB ILE A 64 7.975 0.332 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.537 1.616 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.643 1.984 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.665 -0.470 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.833 -1.809 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.822 -1.400 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.109 1.739 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.805 0.463 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.713 0.089 5.902 1.00 0.00 H new ATOM 963 N CYS A 65 9.654 -2.489 3.581 1.00 0.00 N ATOM 964 CA CYS A 65 9.953 -3.859 3.201 1.00 0.00 C ATOM 965 C CYS A 65 10.634 -4.548 4.385 1.00 0.00 C ATOM 966 O CYS A 65 10.508 -5.758 4.559 1.00 0.00 O ATOM 967 CB CYS A 65 10.811 -3.920 1.936 1.00 0.00 C ATOM 968 SG CYS A 65 11.350 -5.640 1.627 1.00 0.00 S ATOM 0 H CYS A 65 10.293 -1.791 3.200 1.00 0.00 H new ATOM 0 HA CYS A 65 9.028 -4.382 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.242 -3.550 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.681 -3.272 2.045 1.00 0.00 H new ATOM 0 HG CYS A 65 11.112 -6.365 2.680 1.00 0.00 H new ATOM 973 N ILE A 66 11.342 -3.747 5.169 1.00 0.00 N ATOM 974 CA ILE A 66 12.042 -4.264 6.330 1.00 0.00 C ATOM 975 C ILE A 66 11.043 -4.966 7.253 1.00 0.00 C ATOM 976 O ILE A 66 11.238 -6.124 7.617 1.00 0.00 O ATOM 977 CB ILE A 66 12.836 -3.151 7.018 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.310 -3.196 6.611 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.660 -3.209 8.536 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.461 -3.149 5.089 1.00 0.00 C ATOM 0 H ILE A 66 11.445 -2.743 5.021 1.00 0.00 H new ATOM 0 HA ILE A 66 12.778 -5.010 6.029 1.00 0.00 H new ATOM 0 HB ILE A 66 12.438 -2.193 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.840 -2.355 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.770 -4.105 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.235 -2.407 9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.605 -3.090 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.014 -4.171 8.907 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.519 -3.182 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.950 -4.004 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.022 -2.227 4.708 1.00 0.00 H new ATOM 991 N PRO A 67 9.968 -4.214 7.612 1.00 0.00 N ATOM 992 CA PRO A 67 8.939 -4.752 8.486 1.00 0.00 C ATOM 993 C PRO A 67 8.042 -5.738 7.735 1.00 0.00 C ATOM 994 O PRO A 67 7.081 -6.261 8.297 1.00 0.00 O ATOM 995 CB PRO A 67 8.185 -3.536 9.001 1.00 0.00 C ATOM 996 CG PRO A 67 8.516 -2.405 8.042 1.00 0.00 C ATOM 997 CD PRO A 67 9.705 -2.840 7.199 1.00 0.00 C ATOM 0 HA PRO A 67 9.350 -5.329 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.112 -3.724 9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.491 -3.288 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.659 -2.181 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.752 -1.494 8.593 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.478 -2.783 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.570 -2.201 7.375 1.00 0.00 H new ATOM 1002 N ASN A 68 8.389 -5.962 6.476 1.00 0.00 N ATOM 1003 CA ASN A 68 7.627 -6.876 5.642 1.00 0.00 C ATOM 1004 C ASN A 68 8.313 -8.244 5.632 1.00 0.00 C ATOM 1005 O ASN A 68 9.540 -8.327 5.650 1.00 0.00 O ATOM 1006 CB ASN A 68 7.553 -6.374 4.199 1.00 0.00 C ATOM 1007 CG ASN A 68 6.515 -5.258 4.059 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.062 -4.928 2.975 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.167 -4.697 5.213 1.00 0.00 N ATOM 0 H ASN A 68 9.187 -5.527 6.013 1.00 0.00 H new ATOM 0 HA ASN A 68 6.619 -6.945 6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.531 -6.007 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.296 -7.200 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.482 -3.942 5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.585 -5.022 6.085 1.00 0.00 H new ATOM 1015 N GLU A 69 7.491 -9.283 5.603 1.00 0.00 N ATOM 1016 CA GLU A 69 8.004 -10.643 5.589 1.00 0.00 C ATOM 1017 C GLU A 69 7.401 -11.425 4.421 1.00 0.00 C ATOM 1018 O GLU A 69 6.761 -12.456 4.623 1.00 0.00 O ATOM 1019 CB GLU A 69 7.729 -11.345 6.919 1.00 0.00 C ATOM 1020 CG GLU A 69 8.965 -11.316 7.821 1.00 0.00 C ATOM 1021 CD GLU A 69 9.301 -12.715 8.339 1.00 0.00 C ATOM 1022 OE1 GLU A 69 8.345 -13.418 8.733 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.505 -13.050 8.329 1.00 0.00 O ATOM 0 H GLU A 69 6.474 -9.211 5.589 1.00 0.00 H new ATOM 0 HA GLU A 69 9.085 -10.602 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.894 -10.860 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.433 -12.378 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.814 -10.916 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.789 -10.646 8.662 1.00 0.00 H new ATOM 1028 N GLY A 70 7.629 -10.906 3.222 1.00 0.00 N ATOM 1029 CA GLY A 70 7.117 -11.544 2.021 1.00 0.00 C ATOM 1030 C GLY A 70 7.338 -10.658 0.794 1.00 0.00 C ATOM 1031 O GLY A 70 8.208 -9.788 0.800 1.00 0.00 O ATOM 0 H GLY A 70 8.161 -10.052 3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.613 -12.504 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.053 -11.749 2.139 1.00 0.00 H new ATOM 1035 N HIS A 71 6.536 -10.911 -0.231 1.00 0.00 N ATOM 1036 CA HIS A 71 6.632 -10.146 -1.463 1.00 0.00 C ATOM 1037 C HIS A 71 5.597 -9.019 -1.449 1.00 0.00 C ATOM 1038 O HIS A 71 4.522 -9.164 -0.869 1.00 0.00 O ATOM 1039 CB HIS A 71 6.498 -11.060 -2.681 1.00 0.00 C ATOM 1040 CG HIS A 71 7.579 -12.109 -2.785 1.00 0.00 C ATOM 1041 ND1 HIS A 71 7.390 -13.320 -3.429 1.00 0.00 N ATOM 1042 CD2 HIS A 71 8.861 -12.116 -2.320 1.00 0.00 C ATOM 1043 CE1 HIS A 71 8.515 -14.015 -3.349 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.426 -13.268 -2.661 1.00 0.00 N ATOM 0 H HIS A 71 5.817 -11.635 -0.233 1.00 0.00 H new ATOM 0 HA HIS A 71 7.617 -9.686 -1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.528 -11.555 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.511 -10.449 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.336 -11.319 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 71 8.682 -15.001 -3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.383 -13.548 -2.445 1.00 0.00 H new ATOM 1051 N ILE A 72 5.957 -7.920 -2.097 1.00 0.00 N ATOM 1052 CA ILE A 72 5.074 -6.770 -2.168 1.00 0.00 C ATOM 1053 C ILE A 72 5.164 -6.147 -3.563 1.00 0.00 C ATOM 1054 O ILE A 72 6.251 -6.035 -4.127 1.00 0.00 O ATOM 1055 CB ILE A 72 5.380 -5.788 -1.035 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.279 -4.651 -1.524 1.00 0.00 C ATOM 1057 CG2 ILE A 72 5.978 -6.512 0.172 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.846 -3.855 -0.348 1.00 0.00 C ATOM 0 H ILE A 72 6.849 -7.803 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 72 4.038 -7.077 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 72 4.442 -5.340 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.096 -5.059 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.710 -3.988 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.186 -5.791 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.270 -7.257 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.904 -7.005 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.481 -3.053 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.027 -3.428 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.434 -4.516 0.289 1.00 0.00 H new ATOM 1069 N LYS A 73 4.007 -5.759 -4.079 1.00 0.00 N ATOM 1070 CA LYS A 73 3.942 -5.151 -5.397 1.00 0.00 C ATOM 1071 C LYS A 73 3.208 -3.812 -5.302 1.00 0.00 C ATOM 1072 O LYS A 73 2.263 -3.673 -4.527 1.00 0.00 O ATOM 1073 CB LYS A 73 3.323 -6.122 -6.405 1.00 0.00 C ATOM 1074 CG LYS A 73 1.842 -6.359 -6.098 1.00 0.00 C ATOM 1075 CD LYS A 73 1.429 -7.788 -6.454 1.00 0.00 C ATOM 1076 CE LYS A 73 0.186 -7.795 -7.346 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.497 -8.389 -8.664 1.00 0.00 N ATOM 0 H LYS A 73 3.107 -5.854 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 73 4.945 -4.939 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.430 -5.722 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.860 -7.070 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.652 -6.175 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.233 -5.650 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.250 -8.291 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.229 -8.350 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.611 -8.361 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.181 -6.777 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.358 -8.386 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.243 -7.832 -9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.825 -9.367 -8.535 1.00 0.00 H new ATOM 1087 N TYR A 74 3.671 -2.862 -6.100 1.00 0.00 N ATOM 1088 CA TYR A 74 3.070 -1.540 -6.115 1.00 0.00 C ATOM 1089 C TYR A 74 2.982 -0.993 -7.541 1.00 0.00 C ATOM 1090 O TYR A 74 3.737 -1.412 -8.419 1.00 0.00 O ATOM 1091 CB TYR A 74 4.003 -0.643 -5.297 1.00 0.00 C ATOM 1092 CG TYR A 74 5.484 -1.000 -5.431 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.176 -0.657 -6.576 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.130 -1.664 -4.409 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.570 -0.992 -6.702 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.525 -2.000 -4.535 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.177 -1.647 -5.675 1.00 0.00 C ATOM 1098 OH TYR A 74 9.493 -1.964 -5.795 1.00 0.00 O ATOM 0 H TYR A 74 4.455 -2.981 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 74 2.059 -1.575 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.860 0.392 -5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.719 -0.703 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.671 -0.137 -7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.589 -1.932 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.122 -0.729 -7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.041 -2.520 -3.742 1.00 0.00 H new ATOM 0 HH TYR A 74 9.793 -2.428 -4.986 1.00 0.00 H new ATOM 1107 N GLU A 75 2.052 -0.068 -7.730 1.00 0.00 N ATOM 1108 CA GLU A 75 1.854 0.539 -9.035 1.00 0.00 C ATOM 1109 C GLU A 75 1.793 2.062 -8.908 1.00 0.00 C ATOM 1110 O GLU A 75 0.917 2.598 -8.230 1.00 0.00 O ATOM 1111 CB GLU A 75 0.593 -0.006 -9.708 1.00 0.00 C ATOM 1112 CG GLU A 75 0.899 -0.513 -11.118 1.00 0.00 C ATOM 1113 CD GLU A 75 0.935 0.641 -12.120 1.00 0.00 C ATOM 1114 OE1 GLU A 75 1.233 1.770 -11.675 1.00 0.00 O ATOM 1115 OE2 GLU A 75 0.663 0.369 -13.309 1.00 0.00 O ATOM 0 H GLU A 75 1.427 0.276 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 75 2.704 0.280 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.178 -0.816 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.165 0.776 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.857 -1.032 -11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.143 -1.238 -11.420 1.00 0.00 H new ATOM 1120 N ILE A 76 2.735 2.717 -9.572 1.00 0.00 N ATOM 1121 CA ILE A 76 2.799 4.168 -9.542 1.00 0.00 C ATOM 1122 C ILE A 76 2.659 4.711 -10.966 1.00 0.00 C ATOM 1123 O ILE A 76 3.552 4.531 -11.792 1.00 0.00 O ATOM 1124 CB ILE A 76 4.070 4.635 -8.828 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.859 4.692 -7.314 1.00 0.00 C ATOM 1126 CG2 ILE A 76 4.555 5.973 -9.391 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.962 5.509 -6.638 1.00 0.00 C ATOM 0 H ILE A 76 3.459 2.269 -10.133 1.00 0.00 H new ATOM 0 HA ILE A 76 1.969 4.573 -8.963 1.00 0.00 H new ATOM 0 HB ILE A 76 4.856 3.903 -9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.887 5.135 -7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.848 3.681 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.459 6.282 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.771 5.864 -10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.780 6.728 -9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.789 5.534 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.930 5.050 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.954 6.526 -7.031 1.00 0.00 H new ATOM 1138 N SER A 77 1.532 5.364 -11.209 1.00 0.00 N ATOM 1139 CA SER A 77 1.263 5.931 -12.519 1.00 0.00 C ATOM 1140 C SER A 77 1.578 7.428 -12.515 1.00 0.00 C ATOM 1141 O SER A 77 1.005 8.185 -11.732 1.00 0.00 O ATOM 1142 CB SER A 77 -0.190 5.697 -12.934 1.00 0.00 C ATOM 1143 OG SER A 77 -0.508 4.309 -13.001 1.00 0.00 O ATOM 0 H SER A 77 0.794 5.513 -10.520 1.00 0.00 H new ATOM 0 HA SER A 77 1.904 5.432 -13.245 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.854 6.187 -12.222 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.368 6.157 -13.906 1.00 0.00 H new ATOM 0 HG SER A 77 -1.445 4.201 -13.268 1.00 0.00 H new ATOM 1148 N SER A 78 2.489 7.813 -13.398 1.00 0.00 N ATOM 1149 CA SER A 78 2.887 9.206 -13.506 1.00 0.00 C ATOM 1150 C SER A 78 1.656 10.085 -13.733 1.00 0.00 C ATOM 1151 O SER A 78 1.701 11.293 -13.506 1.00 0.00 O ATOM 1152 CB SER A 78 3.898 9.404 -14.637 1.00 0.00 C ATOM 1153 OG SER A 78 4.876 8.368 -14.667 1.00 0.00 O ATOM 0 H SER A 78 2.963 7.183 -14.046 1.00 0.00 H new ATOM 0 HA SER A 78 3.367 9.499 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.373 9.434 -15.592 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.394 10.367 -14.515 1.00 0.00 H new ATOM 0 HG SER A 78 5.502 8.530 -15.404 1.00 0.00 H new ATOM 1158 N ASP A 79 0.586 9.445 -14.181 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.655 10.154 -14.442 1.00 0.00 C ATOM 1160 C ASP A 79 -1.259 10.622 -13.118 1.00 0.00 C ATOM 1161 O ASP A 79 -2.138 11.484 -13.102 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.675 9.245 -15.131 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.208 8.635 -16.456 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -1.055 9.419 -17.417 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -1.015 7.400 -16.476 1.00 0.00 O ATOM 0 H ASP A 79 0.553 8.443 -14.370 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.429 11.000 -15.091 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.938 8.436 -14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.585 9.817 -15.313 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.766 10.034 -12.038 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.245 10.381 -10.711 1.00 0.00 C ATOM 1171 C GLY A 80 -2.100 9.256 -10.125 1.00 0.00 C ATOM 1172 O GLY A 80 -3.159 9.508 -9.555 1.00 0.00 O ATOM 0 H GLY A 80 -0.039 9.319 -12.055 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.397 10.578 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.830 11.299 -10.760 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.606 8.037 -10.287 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.311 6.871 -9.782 1.00 0.00 C ATOM 1178 C LEU A 81 -1.329 5.976 -9.022 1.00 0.00 C ATOM 1179 O LEU A 81 -0.356 5.489 -9.595 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.044 6.154 -10.918 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.482 5.724 -10.622 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -4.541 4.821 -9.388 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.400 6.940 -10.486 1.00 0.00 C ATOM 0 H LEU A 81 -0.726 7.832 -10.761 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.084 7.170 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.054 6.810 -11.788 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.470 5.269 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.845 5.139 -11.467 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.574 4.530 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.938 3.929 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.153 5.360 -8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.416 6.607 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.049 7.571 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.390 7.509 -11.415 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.618 5.787 -7.743 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.772 4.960 -6.899 1.00 0.00 C ATOM 1196 C ILE A 82 -1.625 3.878 -6.234 1.00 0.00 C ATOM 1197 O ILE A 82 -2.653 4.178 -5.629 1.00 0.00 O ATOM 1198 CB ILE A 82 0.005 5.827 -5.906 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.638 7.031 -6.607 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.042 4.997 -5.147 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.264 8.261 -6.504 1.00 0.00 C ATOM 0 H ILE A 82 -2.426 6.192 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.019 4.449 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.699 6.216 -5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.608 7.248 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.817 6.793 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.580 5.638 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.539 4.201 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.747 4.560 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.209 9.103 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.224 8.048 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.421 8.510 -5.455 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.165 2.642 -6.368 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.875 1.513 -5.789 1.00 0.00 C ATOM 1214 C VAL A 83 -0.887 0.639 -5.013 1.00 0.00 C ATOM 1215 O VAL A 83 0.265 0.489 -5.419 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.619 0.746 -6.883 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.648 0.209 -7.935 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.461 -0.383 -6.286 1.00 0.00 C ATOM 0 H VAL A 83 -0.310 2.398 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.630 1.858 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.296 1.442 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.204 -0.332 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.113 1.040 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.934 -0.465 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.979 -0.912 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.812 -1.078 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.192 0.035 -5.594 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.372 0.088 -3.913 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.547 -0.767 -3.076 1.00 0.00 C ATOM 1230 C LEU A 84 -1.151 -2.173 -3.037 1.00 0.00 C ATOM 1231 O LEU A 84 -2.311 -2.343 -2.666 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.356 -0.140 -1.693 1.00 0.00 C ATOM 1233 CG LEU A 84 1.035 -0.290 -1.075 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.183 -1.645 -0.379 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.128 -0.063 -2.121 1.00 0.00 C ATOM 0 H LEU A 84 -2.328 0.216 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 84 0.454 -0.862 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.588 0.923 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.084 -0.581 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 84 1.153 0.480 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.181 -1.726 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.438 -1.731 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.035 -2.445 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.107 -0.176 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.022 -0.794 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.035 0.942 -2.532 1.00 0.00 H new ATOM 1246 N MET A 85 -0.335 -3.142 -3.423 1.00 0.00 N ATOM 1247 CA MET A 85 -0.775 -4.528 -3.437 1.00 0.00 C ATOM 1248 C MET A 85 0.014 -5.362 -2.426 1.00 0.00 C ATOM 1249 O MET A 85 1.223 -5.537 -2.567 1.00 0.00 O ATOM 1250 CB MET A 85 -0.584 -5.109 -4.839 1.00 0.00 C ATOM 1251 CG MET A 85 -1.762 -4.749 -5.747 1.00 0.00 C ATOM 1252 SD MET A 85 -1.203 -3.709 -7.086 1.00 0.00 S ATOM 1253 CE MET A 85 -0.442 -2.389 -6.158 1.00 0.00 C ATOM 0 H MET A 85 0.627 -2.996 -3.728 1.00 0.00 H new ATOM 0 HA MET A 85 -1.829 -4.559 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.342 -4.729 -5.271 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.486 -6.193 -4.777 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.216 -5.657 -6.145 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.531 -4.234 -5.172 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.038 -1.647 -6.846 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.187 -1.920 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.364 -2.793 -5.545 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.704 -5.857 -1.427 1.00 0.00 N ATOM 1262 CA LEU A 86 -0.087 -6.672 -0.395 1.00 0.00 C ATOM 1263 C LEU A 86 -0.900 -7.956 -0.209 1.00 0.00 C ATOM 1264 O LEU A 86 -2.125 -7.936 -0.295 1.00 0.00 O ATOM 1265 CB LEU A 86 0.085 -5.863 0.894 1.00 0.00 C ATOM 1266 CG LEU A 86 0.602 -4.432 0.722 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.580 -3.680 2.055 1.00 0.00 C ATOM 1268 CD2 LEU A 86 1.990 -4.424 0.081 1.00 0.00 C ATOM 0 H LEU A 86 -1.707 -5.709 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 86 0.917 -6.970 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.877 -5.822 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.771 -6.400 1.548 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.068 -3.904 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.952 -2.666 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.441 -3.640 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.214 -4.197 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.334 -3.396 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.687 -4.973 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.941 -4.898 -0.899 1.00 0.00 H new ATOM 1279 N ASP A 87 -0.181 -9.041 0.039 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.819 -10.331 0.238 1.00 0.00 C ATOM 1281 C ASP A 87 -1.290 -10.443 1.690 1.00 0.00 C ATOM 1282 O ASP A 87 -0.952 -9.604 2.522 1.00 0.00 O ATOM 1283 CB ASP A 87 0.159 -11.476 -0.031 1.00 0.00 C ATOM 1284 CG ASP A 87 0.155 -12.006 -1.467 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.927 -11.450 -2.278 1.00 0.00 O ATOM 1286 OD2 ASP A 87 -0.620 -12.954 -1.720 1.00 0.00 O ATOM 0 H ASP A 87 0.837 -9.053 0.107 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.658 -10.403 -0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.166 -11.138 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.074 -12.299 0.645 1.00 0.00 H new ATOM 1290 N LYS A 88 -2.065 -11.488 1.947 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.587 -11.719 3.283 1.00 0.00 C ATOM 1292 C LYS A 88 -1.453 -12.204 4.191 1.00 0.00 C ATOM 1293 O LYS A 88 -1.497 -12.006 5.404 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.784 -12.672 3.233 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.435 -12.807 4.611 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.641 -11.874 4.741 1.00 0.00 C ATOM 1297 CE LYS A 88 -5.981 -11.619 6.211 1.00 0.00 C ATOM 1298 NZ LYS A 88 -5.013 -10.673 6.810 1.00 0.00 N ATOM 0 H LYS A 88 -2.343 -12.182 1.254 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.965 -10.790 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.517 -12.304 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.459 -13.652 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.750 -13.838 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.705 -12.574 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.428 -10.928 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.501 -12.313 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.990 -11.216 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.968 -12.559 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.297 -10.458 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.065 -11.100 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.996 -9.795 6.253 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.466 -12.831 3.568 1.00 0.00 N ATOM 1309 CA GLU A 89 0.676 -13.345 4.304 1.00 0.00 C ATOM 1310 C GLU A 89 1.576 -12.194 4.758 1.00 0.00 C ATOM 1311 O GLU A 89 2.461 -12.386 5.590 1.00 0.00 O ATOM 1312 CB GLU A 89 1.460 -14.354 3.463 1.00 0.00 C ATOM 1313 CG GLU A 89 2.062 -13.687 2.225 1.00 0.00 C ATOM 1314 CD GLU A 89 1.639 -14.417 0.949 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.498 -14.929 0.940 1.00 0.00 O ATOM 1316 OE2 GLU A 89 2.465 -14.446 0.011 1.00 0.00 O ATOM 0 H GLU A 89 -0.434 -12.995 2.562 1.00 0.00 H new ATOM 0 HA GLU A 89 0.310 -13.865 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.254 -14.795 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.802 -15.168 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.742 -12.646 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.149 -13.682 2.302 1.00 0.00 H new ATOM 1321 N ILE A 90 1.317 -11.023 4.193 1.00 0.00 N ATOM 1322 CA ILE A 90 2.093 -9.842 4.529 1.00 0.00 C ATOM 1323 C ILE A 90 1.144 -8.711 4.927 1.00 0.00 C ATOM 1324 O ILE A 90 1.435 -7.539 4.688 1.00 0.00 O ATOM 1325 CB ILE A 90 3.039 -9.478 3.382 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.268 -8.863 2.212 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.867 -10.688 2.949 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.225 -8.263 1.179 1.00 0.00 C ATOM 0 H ILE A 90 0.580 -10.868 3.505 1.00 0.00 H new ATOM 0 HA ILE A 90 2.734 -10.038 5.389 1.00 0.00 H new ATOM 0 HB ILE A 90 3.738 -8.723 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.648 -9.625 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.595 -8.089 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.530 -10.402 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.460 -11.043 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.201 -11.483 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.651 -7.833 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.826 -7.484 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.880 -9.044 0.793 1.00 0.00 H new ATOM 1339 N GLU A 91 0.031 -9.099 5.532 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.963 -8.132 5.964 1.00 0.00 C ATOM 1341 C GLU A 91 -0.306 -7.042 6.815 1.00 0.00 C ATOM 1342 O GLU A 91 -0.819 -5.928 6.907 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.097 -8.816 6.730 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.218 -7.826 7.048 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.023 -8.282 8.268 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.404 -8.912 9.152 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.238 -7.992 8.287 1.00 0.00 O ATOM 0 H GLU A 91 -0.204 -10.071 5.733 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.397 -7.665 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.493 -9.642 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.710 -9.243 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.794 -6.839 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.879 -7.731 6.187 1.00 0.00 H new ATOM 1352 N GLU A 92 0.820 -7.403 7.416 1.00 0.00 N ATOM 1353 CA GLU A 92 1.549 -6.469 8.256 1.00 0.00 C ATOM 1354 C GLU A 92 1.860 -5.187 7.481 1.00 0.00 C ATOM 1355 O GLU A 92 1.632 -4.086 7.979 1.00 0.00 O ATOM 1356 CB GLU A 92 2.830 -7.108 8.797 1.00 0.00 C ATOM 1357 CG GLU A 92 3.739 -7.569 7.656 1.00 0.00 C ATOM 1358 CD GLU A 92 4.743 -8.615 8.142 1.00 0.00 C ATOM 1359 OE1 GLU A 92 5.187 -8.479 9.302 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.044 -9.527 7.343 1.00 0.00 O ATOM 0 H GLU A 92 1.243 -8.328 7.337 1.00 0.00 H new ATOM 0 HA GLU A 92 0.921 -6.209 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.362 -6.391 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.577 -7.958 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.134 -7.987 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.272 -6.713 7.243 1.00 0.00 H new ATOM 1365 N VAL A 93 2.377 -5.373 6.276 1.00 0.00 N ATOM 1366 CA VAL A 93 2.721 -4.245 5.426 1.00 0.00 C ATOM 1367 C VAL A 93 1.469 -3.404 5.171 1.00 0.00 C ATOM 1368 O VAL A 93 1.552 -2.183 5.049 1.00 0.00 O ATOM 1369 CB VAL A 93 3.380 -4.743 4.138 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.420 -5.622 3.334 1.00 0.00 C ATOM 1371 CG2 VAL A 93 3.887 -3.571 3.294 1.00 0.00 C ATOM 0 H VAL A 93 2.566 -6.288 5.867 1.00 0.00 H new ATOM 0 HA VAL A 93 3.449 -3.602 5.920 1.00 0.00 H new ATOM 0 HB VAL A 93 4.239 -5.354 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.914 -5.962 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.129 -6.485 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.533 -5.046 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.351 -3.952 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.051 -2.923 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.621 -3.002 3.865 1.00 0.00 H new ATOM 1381 N VAL A 94 0.338 -4.090 5.099 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.930 -3.422 4.860 1.00 0.00 C ATOM 1383 C VAL A 94 -1.134 -2.335 5.918 1.00 0.00 C ATOM 1384 O VAL A 94 -1.439 -1.190 5.585 1.00 0.00 O ATOM 1385 CB VAL A 94 -2.064 -4.447 4.829 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.993 -4.272 6.032 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.845 -4.361 3.516 1.00 0.00 C ATOM 0 H VAL A 94 0.273 -5.103 5.202 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.927 -2.932 3.886 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.620 -5.441 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.791 -5.013 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.425 -4.406 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.425 -3.272 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.646 -5.101 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.273 -3.364 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.174 -4.557 2.680 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.959 -2.731 7.170 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.122 -1.805 8.278 1.00 0.00 C ATOM 1399 C GLU A 95 0.052 -0.824 8.326 1.00 0.00 C ATOM 1400 O GLU A 95 -0.123 0.344 8.669 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.264 -2.554 9.603 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.050 -3.854 9.416 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.616 -4.349 10.749 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -1.831 -4.379 11.722 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -3.819 -4.687 10.766 1.00 0.00 O ATOM 0 H GLU A 95 -0.706 -3.681 7.442 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.039 -1.238 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.276 -2.777 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.770 -1.920 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.864 -3.693 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.401 -4.617 8.987 1.00 0.00 H new ATOM 1410 N LYS A 96 1.224 -1.336 7.975 1.00 0.00 N ATOM 1411 CA LYS A 96 2.426 -0.520 7.974 1.00 0.00 C ATOM 1412 C LYS A 96 2.342 0.502 6.841 1.00 0.00 C ATOM 1413 O LYS A 96 2.914 1.588 6.935 1.00 0.00 O ATOM 1414 CB LYS A 96 3.674 -1.405 7.914 1.00 0.00 C ATOM 1415 CG LYS A 96 3.564 -2.577 8.891 1.00 0.00 C ATOM 1416 CD LYS A 96 4.625 -2.477 9.988 1.00 0.00 C ATOM 1417 CE LYS A 96 4.040 -1.861 11.261 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.292 -2.739 12.426 1.00 0.00 N ATOM 0 H LYS A 96 1.366 -2.305 7.690 1.00 0.00 H new ATOM 0 HA LYS A 96 2.506 0.042 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.807 -1.783 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.557 -0.811 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.571 -2.589 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.681 -3.517 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.021 -3.469 10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.460 -1.871 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.484 -0.881 11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.968 -1.708 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.888 -2.306 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.848 -3.666 12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.317 -2.863 12.552 1.00 0.00 H new ATOM 1428 N VAL A 97 1.624 0.122 5.794 1.00 0.00 N ATOM 1429 CA VAL A 97 1.457 0.993 4.643 1.00 0.00 C ATOM 1430 C VAL A 97 0.454 2.096 4.985 1.00 0.00 C ATOM 1431 O VAL A 97 0.695 3.269 4.700 1.00 0.00 O ATOM 1432 CB VAL A 97 1.048 0.170 3.419 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.221 1.012 2.445 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.273 -0.426 2.724 1.00 0.00 C ATOM 0 H VAL A 97 1.151 -0.778 5.719 1.00 0.00 H new ATOM 0 HA VAL A 97 2.400 1.478 4.391 1.00 0.00 H new ATOM 0 HB VAL A 97 0.424 -0.655 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.057 0.404 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.680 1.367 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.810 1.866 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.954 -1.006 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.934 0.378 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.806 -1.075 3.419 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.649 1.682 5.590 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.690 2.621 5.972 1.00 0.00 C ATOM 1446 C LYS A 98 -1.099 3.677 6.908 1.00 0.00 C ATOM 1447 O LYS A 98 -1.335 4.871 6.728 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.890 1.877 6.564 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.918 1.545 5.481 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.326 1.452 6.072 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.983 2.832 6.143 1.00 0.00 C ATOM 1452 NZ LYS A 98 -5.911 3.371 7.519 1.00 0.00 N ATOM 0 H LYS A 98 -0.845 0.709 5.825 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.070 3.147 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.552 0.958 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.356 2.488 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.895 2.311 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.657 0.600 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.937 0.785 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.277 1.017 7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.486 3.514 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.024 2.762 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.671 4.067 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.022 2.595 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.990 3.831 7.664 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.343 3.200 7.885 1.00 0.00 N ATOM 1463 CA LYS A 99 0.284 4.090 8.848 1.00 0.00 C ATOM 1464 C LYS A 99 1.372 4.907 8.149 1.00 0.00 C ATOM 1465 O LYS A 99 1.578 6.076 8.470 1.00 0.00 O ATOM 1466 CB LYS A 99 0.787 3.300 10.058 1.00 0.00 C ATOM 1467 CG LYS A 99 1.825 2.257 9.638 1.00 0.00 C ATOM 1468 CD LYS A 99 3.236 2.848 9.656 1.00 0.00 C ATOM 1469 CE LYS A 99 3.978 2.458 10.935 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.276 2.986 12.125 1.00 0.00 N ATOM 0 H LYS A 99 -0.150 2.209 8.031 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.443 4.800 9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.226 3.983 10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.052 2.807 10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.777 1.400 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.593 1.891 8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.792 2.496 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.180 3.934 9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.053 1.373 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.996 2.846 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.846 2.800 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.136 4.011 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.352 2.519 12.219 1.00 0.00 H new ATOM 1480 N PHE A 100 2.042 4.257 7.209 1.00 0.00 N ATOM 1481 CA PHE A 100 3.105 4.908 6.462 1.00 0.00 C ATOM 1482 C PHE A 100 2.556 6.057 5.614 1.00 0.00 C ATOM 1483 O PHE A 100 3.050 7.181 5.690 1.00 0.00 O ATOM 1484 CB PHE A 100 3.713 3.852 5.537 1.00 0.00 C ATOM 1485 CG PHE A 100 4.120 4.388 4.163 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.741 5.594 4.060 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.860 3.660 3.044 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.117 6.092 2.784 1.00 0.00 C ATOM 1489 CE2 PHE A 100 4.235 4.158 1.769 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.856 5.363 1.665 1.00 0.00 C ATOM 0 H PHE A 100 1.869 3.286 6.947 1.00 0.00 H new ATOM 0 HA PHE A 100 3.843 5.321 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.589 3.421 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.993 3.044 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.948 6.173 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.368 2.702 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.610 7.049 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.027 3.580 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.142 5.741 0.695 1.00 0.00 H new ATOM 1499 N VAL A 101 1.541 5.734 4.825 1.00 0.00 N ATOM 1500 CA VAL A 101 0.920 6.726 3.964 1.00 0.00 C ATOM 1501 C VAL A 101 0.389 7.878 4.818 1.00 0.00 C ATOM 1502 O VAL A 101 0.677 9.043 4.546 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.164 6.068 3.107 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.937 7.116 2.302 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.435 5.003 2.188 1.00 0.00 C ATOM 0 H VAL A 101 1.134 4.801 4.764 1.00 0.00 H new ATOM 0 HA VAL A 101 1.653 7.145 3.274 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.868 5.574 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.701 6.623 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.411 7.822 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.250 7.651 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.357 4.551 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.170 5.464 1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.919 4.234 2.790 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.376 7.513 5.837 1.00 0.00 N ATOM 1516 CA GLU A 102 -0.950 8.501 6.734 1.00 0.00 C ATOM 1517 C GLU A 102 0.151 9.190 7.542 1.00 0.00 C ATOM 1518 O GLU A 102 -0.038 10.299 8.036 1.00 0.00 O ATOM 1519 CB GLU A 102 -1.991 7.865 7.658 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.330 7.287 8.911 1.00 0.00 C ATOM 1521 CD GLU A 102 -1.550 8.199 10.118 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -0.865 9.242 10.174 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.399 7.832 10.959 1.00 0.00 O ATOM 0 H GLU A 102 -0.611 6.546 6.061 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.458 9.255 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.732 8.611 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.522 7.076 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.739 6.298 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.262 7.160 8.737 1.00 0.00 H new ATOM 1528 N GLU A 103 1.279 8.502 7.649 1.00 0.00 N ATOM 1529 CA GLU A 103 2.412 9.034 8.387 1.00 0.00 C ATOM 1530 C GLU A 103 3.063 10.180 7.608 1.00 0.00 C ATOM 1531 O GLU A 103 3.474 11.179 8.194 1.00 0.00 O ATOM 1532 CB GLU A 103 3.429 7.935 8.697 1.00 0.00 C ATOM 1533 CG GLU A 103 3.161 7.310 10.067 1.00 0.00 C ATOM 1534 CD GLU A 103 3.899 8.070 11.172 1.00 0.00 C ATOM 1535 OE1 GLU A 103 5.146 8.114 11.093 1.00 0.00 O ATOM 1536 OE2 GLU A 103 3.202 8.589 12.069 1.00 0.00 O ATOM 0 H GLU A 103 1.432 7.582 7.237 1.00 0.00 H new ATOM 0 HA GLU A 103 2.050 9.427 9.337 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.383 7.165 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.437 8.350 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.090 7.316 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.479 6.267 10.063 1.00 0.00 H new ATOM 1541 N ASN A 104 3.135 9.995 6.298 1.00 0.00 N ATOM 1542 CA ASN A 104 3.728 11.000 5.432 1.00 0.00 C ATOM 1543 C ASN A 104 2.703 12.103 5.162 1.00 0.00 C ATOM 1544 O ASN A 104 3.064 13.270 5.022 1.00 0.00 O ATOM 1545 CB ASN A 104 4.138 10.396 4.087 1.00 0.00 C ATOM 1546 CG ASN A 104 5.527 10.881 3.669 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.700 11.577 2.682 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.506 10.475 4.473 1.00 0.00 N ATOM 0 H ASN A 104 2.793 9.164 5.815 1.00 0.00 H new ATOM 0 HA ASN A 104 4.611 11.398 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.134 9.308 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.409 10.669 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.470 10.745 4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.292 9.893 5.283 1.00 0.00 H new ATOM 1554 N ASN A 105 1.444 11.694 5.098 1.00 0.00 N ATOM 1555 CA ASN A 105 0.364 12.634 4.848 1.00 0.00 C ATOM 1556 C ASN A 105 0.632 13.928 5.617 1.00 0.00 C ATOM 1557 O ASN A 105 -0.156 14.871 5.544 1.00 0.00 O ATOM 1558 CB ASN A 105 -0.977 12.069 5.322 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.863 11.689 4.133 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.595 12.498 3.587 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.756 10.416 3.766 1.00 0.00 N ATOM 0 H ASN A 105 1.148 10.725 5.215 1.00 0.00 H new ATOM 0 HA ASN A 105 0.318 12.819 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.806 11.193 5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.488 12.807 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.307 10.063 2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.123 9.792 4.267 1.00 0.00 H new TER 1567 ASN A 105