USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HD1:sc= -0.143 K(o=0.28,f=-3.3!) USER MOD Set 1.2: A 99 SER OG : rot -50:sc= 0.421 USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0.0176 USER MOD Set 2.2: A 96 GLN : amide:sc= -0.182 K(o=-0.16,f=-2.7!) USER MOD Set 3.1: A 95 CYS SG : rot 73:sc= -0.515 USER MOD Set 3.2: A 98 CYS SG : rot 180:sc= 0.0152 USER MOD Set 3.3: A 102 HIS : no HD1:sc= -1.37 K(o=-1.8,f=-3.7!) USER MOD Set 3.4: A 114 CYS SG : rot 180:sc= 0.0341 USER MOD Set 4.1: A 54 CYS SG : rot -154:sc= -0.729 USER MOD Set 4.2: A 59 CYS SG : rot 172:sc= 0.0568 USER MOD Set 4.3: A 76 CYS SG : rot 180:sc= -0.878 USER MOD Set 4.4: A 79 HIS : no HD1:sc= -3.15 X(o=-4.7,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= -0.411 K(o=-0.41,f=-1.3) USER MOD Single : A 60 THR OG1 : rot -61:sc= 1.16 USER MOD Single : A 63 MET CE :methyl -118:sc= -2.95 (180deg=-5.54!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0898 (180deg=-0.339) USER MOD Single : A 70 HIS : no HE2:sc= -0.225 X(o=-0.22,f=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= -0.0337 (180deg=-0.243) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.075 USER MOD Single : A 84 SER OG : rot -5:sc= 0.873 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 92 GLN : amide:sc= -2.26 K(o=-2.3,f=-6.2!) USER MOD Single : A 97 GLN : amide:sc= -6.7! C(o=-6.7!,f=-12!) USER MOD Single : A 105 GLN : amide:sc= -0.735 K(o=-0.74,f=-0.12) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 31:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -9.144 23.816 2.552 1.00 0.00 N ATOM 2 CA LEU A 51 -8.816 23.814 1.102 1.00 0.00 C ATOM 3 C LEU A 51 -9.216 22.494 0.451 1.00 0.00 C ATOM 4 O LEU A 51 -8.924 21.418 0.974 1.00 0.00 O ATOM 5 CB LEU A 51 -7.313 24.054 0.943 1.00 0.00 C ATOM 6 CG LEU A 51 -6.938 25.388 0.290 1.00 0.00 C ATOM 7 CD1 LEU A 51 -5.837 26.080 1.077 1.00 0.00 C ATOM 8 CD2 LEU A 51 -6.511 25.173 -1.154 1.00 0.00 C ATOM 0 HA LEU A 51 -9.375 24.606 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.846 24.004 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.891 23.244 0.348 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.817 26.032 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.585 27.025 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.181 26.270 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.954 25.442 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.248 26.131 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.647 24.510 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.332 24.724 -1.713 1.00 0.00 H new ATOM 20 N ARG A 52 -9.885 22.584 -0.694 1.00 0.00 N ATOM 21 CA ARG A 52 -10.327 21.397 -1.419 1.00 0.00 C ATOM 22 C ARG A 52 -9.195 20.827 -2.269 1.00 0.00 C ATOM 23 O ARG A 52 -9.190 20.974 -3.492 1.00 0.00 O ATOM 24 CB ARG A 52 -11.531 21.735 -2.302 1.00 0.00 C ATOM 25 CG ARG A 52 -12.862 21.307 -1.705 1.00 0.00 C ATOM 26 CD ARG A 52 -13.044 19.799 -1.763 1.00 0.00 C ATOM 27 NE ARG A 52 -13.787 19.383 -2.952 1.00 0.00 N ATOM 28 CZ ARG A 52 -13.218 19.035 -4.106 1.00 0.00 C ATOM 29 NH1 ARG A 52 -11.896 19.044 -4.236 1.00 0.00 N ATOM 30 NH2 ARG A 52 -13.975 18.675 -5.134 1.00 0.00 N ATOM 0 H ARG A 52 -10.133 23.467 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.622 20.642 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.551 22.810 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.406 21.254 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.921 21.641 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.676 21.793 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.067 19.315 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.571 19.463 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.805 19.358 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.308 19.319 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.469 18.776 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.991 18.665 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.541 18.408 -6.018 1.00 0.00 H new ATOM 44 N LEU A 53 -8.238 20.178 -1.615 1.00 0.00 N ATOM 45 CA LEU A 53 -7.101 19.588 -2.312 1.00 0.00 C ATOM 46 C LEU A 53 -7.139 18.065 -2.235 1.00 0.00 C ATOM 47 O LEU A 53 -6.651 17.377 -3.132 1.00 0.00 O ATOM 48 CB LEU A 53 -5.788 20.107 -1.718 1.00 0.00 C ATOM 49 CG LEU A 53 -5.628 21.627 -1.732 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.336 22.033 -1.042 1.00 0.00 C ATOM 51 CD2 LEU A 53 -5.662 22.152 -3.160 1.00 0.00 C ATOM 0 H LEU A 53 -8.227 20.047 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.161 19.880 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.710 19.758 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.958 19.664 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.461 22.068 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.239 23.118 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.352 21.689 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.489 21.584 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.547 23.236 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.849 21.705 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.615 21.892 -3.621 1.00 0.00 H new ATOM 63 N CYS A 54 -7.721 17.542 -1.159 1.00 0.00 N ATOM 64 CA CYS A 54 -7.821 16.099 -0.967 1.00 0.00 C ATOM 65 C CYS A 54 -8.527 15.440 -2.149 1.00 0.00 C ATOM 66 O CYS A 54 -9.658 15.789 -2.482 1.00 0.00 O ATOM 67 CB CYS A 54 -8.569 15.786 0.329 1.00 0.00 C ATOM 68 SG CYS A 54 -8.212 14.150 1.013 1.00 0.00 S ATOM 0 H CYS A 54 -8.130 18.096 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.811 15.696 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.317 16.542 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.641 15.865 0.145 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.222 13.748 1.726 1.00 0.00 H new ATOM 73 N GLN A 55 -7.849 14.486 -2.779 1.00 0.00 N ATOM 74 CA GLN A 55 -8.410 13.779 -3.924 1.00 0.00 C ATOM 75 C GLN A 55 -9.699 13.057 -3.543 1.00 0.00 C ATOM 76 O GLN A 55 -10.580 12.860 -4.379 1.00 0.00 O ATOM 77 CB GLN A 55 -7.394 12.777 -4.477 1.00 0.00 C ATOM 78 CG GLN A 55 -6.940 11.746 -3.457 1.00 0.00 C ATOM 79 CD GLN A 55 -6.417 10.478 -4.105 1.00 0.00 C ATOM 80 OE1 GLN A 55 -7.107 9.459 -4.148 1.00 0.00 O ATOM 81 NE2 GLN A 55 -5.191 10.535 -4.612 1.00 0.00 N ATOM 0 H GLN A 55 -6.911 14.185 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.643 14.514 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.832 12.262 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.523 13.320 -4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.160 12.179 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.774 11.497 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.655 11.401 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.785 9.713 -5.059 1.00 0.00 H new ATOM 90 N VAL A 56 -9.804 12.664 -2.278 1.00 0.00 N ATOM 91 CA VAL A 56 -10.987 11.964 -1.793 1.00 0.00 C ATOM 92 C VAL A 56 -12.223 12.854 -1.872 1.00 0.00 C ATOM 93 O VAL A 56 -12.138 14.067 -1.682 1.00 0.00 O ATOM 94 CB VAL A 56 -10.813 11.485 -0.338 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.870 10.448 0.009 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.413 10.927 -0.114 1.00 0.00 C ATOM 0 H VAL A 56 -9.085 12.818 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.119 11.095 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.942 12.342 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.733 10.120 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.861 10.887 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.774 9.593 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.315 10.596 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.246 10.083 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.675 11.703 -0.318 1.00 0.00 H new ATOM 106 N ASP A 57 -13.369 12.243 -2.151 1.00 0.00 N ATOM 107 CA ASP A 57 -14.622 12.979 -2.253 1.00 0.00 C ATOM 108 C ASP A 57 -15.324 13.051 -0.901 1.00 0.00 C ATOM 109 O ASP A 57 -15.048 12.257 -0.003 1.00 0.00 O ATOM 110 CB ASP A 57 -15.541 12.320 -3.282 1.00 0.00 C ATOM 111 CG ASP A 57 -14.962 12.356 -4.682 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.035 13.422 -5.328 1.00 0.00 O ATOM 113 OD2 ASP A 57 -14.433 11.318 -5.133 1.00 0.00 O ATOM 0 H ASP A 57 -13.455 11.239 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.392 13.994 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.722 11.285 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.507 12.825 -3.278 1.00 0.00 H new ATOM 118 N ARG A 58 -16.234 14.009 -0.766 1.00 0.00 N ATOM 119 CA ARG A 58 -16.983 14.191 0.474 1.00 0.00 C ATOM 120 C ARG A 58 -16.062 14.598 1.624 1.00 0.00 C ATOM 121 O ARG A 58 -16.422 14.457 2.793 1.00 0.00 O ATOM 122 CB ARG A 58 -17.734 12.905 0.833 1.00 0.00 C ATOM 123 CG ARG A 58 -19.234 13.101 0.985 1.00 0.00 C ATOM 124 CD ARG A 58 -19.749 12.499 2.283 1.00 0.00 C ATOM 125 NE ARG A 58 -19.054 13.038 3.451 1.00 0.00 N ATOM 126 CZ ARG A 58 -19.068 12.466 4.652 1.00 0.00 C ATOM 127 NH1 ARG A 58 -19.739 11.337 4.850 1.00 0.00 N ATOM 128 NH2 ARG A 58 -18.409 13.025 5.659 1.00 0.00 N ATOM 0 H ARG A 58 -16.472 14.674 -1.502 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.703 14.994 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.550 12.158 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.331 12.506 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.467 14.166 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.749 12.642 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.817 12.695 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.625 11.416 2.255 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.527 13.904 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.247 10.904 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.746 10.903 5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.893 13.892 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.419 12.588 6.580 1.00 0.00 H new ATOM 142 N CYS A 59 -14.879 15.105 1.291 1.00 0.00 N ATOM 143 CA CYS A 59 -13.922 15.533 2.306 1.00 0.00 C ATOM 144 C CYS A 59 -14.132 17.000 2.663 1.00 0.00 C ATOM 145 O CYS A 59 -14.362 17.834 1.788 1.00 0.00 O ATOM 146 CB CYS A 59 -12.489 15.316 1.818 1.00 0.00 C ATOM 147 SG CYS A 59 -11.226 15.696 3.057 1.00 0.00 S ATOM 0 H CYS A 59 -14.561 15.229 0.330 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.086 14.930 3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.376 14.278 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.318 15.935 0.937 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.062 15.317 2.620 1.00 0.00 H new ATOM 152 N THR A 60 -14.052 17.309 3.952 1.00 0.00 N ATOM 153 CA THR A 60 -14.233 18.678 4.420 1.00 0.00 C ATOM 154 C THR A 60 -13.200 19.039 5.482 1.00 0.00 C ATOM 155 O THR A 60 -13.493 19.774 6.425 1.00 0.00 O ATOM 156 CB THR A 60 -15.644 18.890 5.001 1.00 0.00 C ATOM 157 OG1 THR A 60 -15.792 20.243 5.449 1.00 0.00 O ATOM 158 CG2 THR A 60 -15.903 17.939 6.158 1.00 0.00 C ATOM 0 H THR A 60 -13.863 16.631 4.691 1.00 0.00 H new ATOM 0 HA THR A 60 -14.102 19.327 3.554 1.00 0.00 H new ATOM 0 HB THR A 60 -16.370 18.686 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.136 20.428 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 60 -16.906 18.108 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.819 16.910 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.170 18.116 6.945 1.00 0.00 H new ATOM 166 N ALA A 61 -11.988 18.519 5.320 1.00 0.00 N ATOM 167 CA ALA A 61 -10.910 18.787 6.265 1.00 0.00 C ATOM 168 C ALA A 61 -10.117 20.024 5.857 1.00 0.00 C ATOM 169 O ALA A 61 -9.990 20.329 4.670 1.00 0.00 O ATOM 170 CB ALA A 61 -9.990 17.580 6.370 1.00 0.00 C ATOM 0 H ALA A 61 -11.728 17.910 4.544 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.355 18.978 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.190 17.793 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.560 16.717 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.561 17.364 5.392 1.00 0.00 H new ATOM 176 N ASP A 62 -9.587 20.733 6.847 1.00 0.00 N ATOM 177 CA ASP A 62 -8.805 21.938 6.590 1.00 0.00 C ATOM 178 C ASP A 62 -7.327 21.602 6.421 1.00 0.00 C ATOM 179 O ASP A 62 -6.693 21.068 7.330 1.00 0.00 O ATOM 180 CB ASP A 62 -8.984 22.941 7.731 1.00 0.00 C ATOM 181 CG ASP A 62 -8.785 24.373 7.277 1.00 0.00 C ATOM 182 OD1 ASP A 62 -7.992 24.595 6.338 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.423 25.276 7.861 1.00 0.00 O ATOM 0 H ASP A 62 -9.684 20.495 7.834 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.166 22.384 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.983 22.832 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.275 22.713 8.526 1.00 0.00 H new ATOM 188 N MET A 63 -6.783 21.918 5.250 1.00 0.00 N ATOM 189 CA MET A 63 -5.380 21.649 4.961 1.00 0.00 C ATOM 190 C MET A 63 -4.571 22.943 4.934 1.00 0.00 C ATOM 191 O MET A 63 -3.602 23.065 4.185 1.00 0.00 O ATOM 192 CB MET A 63 -5.243 20.922 3.621 1.00 0.00 C ATOM 193 CG MET A 63 -5.410 19.416 3.729 1.00 0.00 C ATOM 194 SD MET A 63 -4.512 18.525 2.444 1.00 0.00 S ATOM 195 CE MET A 63 -2.843 19.113 2.727 1.00 0.00 C ATOM 0 H MET A 63 -7.293 22.361 4.486 1.00 0.00 H new ATOM 0 HA MET A 63 -4.988 21.013 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.987 21.313 2.927 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.264 21.141 3.196 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.061 19.085 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.469 19.166 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.490 19.645 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.835 19.787 3.584 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.187 18.265 2.926 1.00 0.00 H new ATOM 205 N LYS A 64 -4.975 23.904 5.757 1.00 0.00 N ATOM 206 CA LYS A 64 -4.288 25.189 5.828 1.00 0.00 C ATOM 207 C LYS A 64 -2.969 25.059 6.584 1.00 0.00 C ATOM 208 O LYS A 64 -1.992 25.736 6.268 1.00 0.00 O ATOM 209 CB LYS A 64 -5.178 26.230 6.507 1.00 0.00 C ATOM 210 CG LYS A 64 -4.791 27.666 6.182 1.00 0.00 C ATOM 211 CD LYS A 64 -4.847 28.552 7.416 1.00 0.00 C ATOM 212 CE LYS A 64 -6.132 29.363 7.462 1.00 0.00 C ATOM 213 NZ LYS A 64 -5.924 30.697 8.090 1.00 0.00 N ATOM 0 H LYS A 64 -5.775 23.818 6.384 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.072 25.515 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.212 26.064 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.133 26.086 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.785 27.687 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.462 28.061 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.773 27.935 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.990 29.226 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.515 29.494 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.889 28.813 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.823 31.219 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.583 30.573 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.221 31.233 7.542 1.00 0.00 H new ATOM 227 N GLU A 65 -2.951 24.185 7.585 1.00 0.00 N ATOM 228 CA GLU A 65 -1.753 23.966 8.387 1.00 0.00 C ATOM 229 C GLU A 65 -1.357 22.493 8.382 1.00 0.00 C ATOM 230 O GLU A 65 -1.224 21.870 9.436 1.00 0.00 O ATOM 231 CB GLU A 65 -1.981 24.444 9.823 1.00 0.00 C ATOM 232 CG GLU A 65 -2.259 25.936 9.931 1.00 0.00 C ATOM 233 CD GLU A 65 -1.191 26.675 10.712 1.00 0.00 C ATOM 234 OE1 GLU A 65 -0.022 26.239 10.677 1.00 0.00 O ATOM 235 OE2 GLU A 65 -1.524 27.690 11.360 1.00 0.00 O ATOM 0 H GLU A 65 -3.752 23.617 7.860 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.939 24.542 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.819 23.895 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.103 24.202 10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.331 26.361 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.225 26.087 10.412 1.00 0.00 H new ATOM 242 N ALA A 66 -1.170 21.941 7.188 1.00 0.00 N ATOM 243 CA ALA A 66 -0.788 20.541 7.046 1.00 0.00 C ATOM 244 C ALA A 66 0.711 20.402 6.802 1.00 0.00 C ATOM 245 O ALA A 66 1.420 21.396 6.646 1.00 0.00 O ATOM 246 CB ALA A 66 -1.571 19.894 5.913 1.00 0.00 C ATOM 0 H ALA A 66 -1.277 22.441 6.305 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.026 20.029 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.276 18.849 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.638 19.952 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.360 20.417 4.980 1.00 0.00 H new ATOM 252 N LYS A 67 1.188 19.161 6.771 1.00 0.00 N ATOM 253 CA LYS A 67 2.603 18.892 6.547 1.00 0.00 C ATOM 254 C LYS A 67 2.923 18.862 5.056 1.00 0.00 C ATOM 255 O LYS A 67 2.022 18.828 4.218 1.00 0.00 O ATOM 256 CB LYS A 67 2.999 17.564 7.193 1.00 0.00 C ATOM 257 CG LYS A 67 4.475 17.478 7.552 1.00 0.00 C ATOM 258 CD LYS A 67 4.708 16.540 8.726 1.00 0.00 C ATOM 259 CE LYS A 67 4.429 15.095 8.347 1.00 0.00 C ATOM 260 NZ LYS A 67 5.362 14.605 7.296 1.00 0.00 N ATOM 0 H LYS A 67 0.615 18.327 6.898 1.00 0.00 H new ATOM 0 HA LYS A 67 3.177 19.697 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.405 17.417 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.751 16.750 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.041 17.129 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.849 18.472 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.738 16.635 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.066 16.830 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.516 14.465 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.403 15.005 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.289 13.570 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.113 15.036 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.337 14.866 7.548 1.00 0.00 H new ATOM 274 N LEU A 68 4.213 18.874 4.734 1.00 0.00 N ATOM 275 CA LEU A 68 4.655 18.848 3.344 1.00 0.00 C ATOM 276 C LEU A 68 4.349 17.500 2.694 1.00 0.00 C ATOM 277 O LEU A 68 4.294 17.391 1.468 1.00 0.00 O ATOM 278 CB LEU A 68 6.154 19.140 3.260 1.00 0.00 C ATOM 279 CG LEU A 68 6.516 20.607 3.019 1.00 0.00 C ATOM 280 CD1 LEU A 68 7.816 20.960 3.726 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.622 20.890 1.528 1.00 0.00 C ATOM 0 H LEU A 68 4.970 18.902 5.417 1.00 0.00 H new ATOM 0 HA LEU A 68 4.109 19.620 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.625 18.813 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.581 18.540 2.457 1.00 0.00 H new ATOM 0 HG LEU A 68 5.723 21.231 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.057 22.007 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.704 20.795 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.620 20.331 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.880 21.938 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.395 20.258 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.667 20.677 1.048 1.00 0.00 H new ATOM 293 N TYR A 69 4.154 16.476 3.518 1.00 0.00 N ATOM 294 CA TYR A 69 3.857 15.138 3.019 1.00 0.00 C ATOM 295 C TYR A 69 2.387 15.012 2.632 1.00 0.00 C ATOM 296 O TYR A 69 2.055 14.448 1.591 1.00 0.00 O ATOM 297 CB TYR A 69 4.211 14.088 4.073 1.00 0.00 C ATOM 298 CG TYR A 69 4.003 12.664 3.607 1.00 0.00 C ATOM 299 CD1 TYR A 69 5.023 11.962 2.979 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.784 12.024 3.794 1.00 0.00 C ATOM 301 CE1 TYR A 69 4.837 10.661 2.550 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.590 10.723 3.369 1.00 0.00 C ATOM 303 CZ TYR A 69 3.619 10.047 2.748 1.00 0.00 C ATOM 304 OH TYR A 69 3.428 8.752 2.323 1.00 0.00 O ATOM 0 H TYR A 69 4.196 16.547 4.535 1.00 0.00 H new ATOM 0 HA TYR A 69 4.462 14.968 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.253 14.217 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.606 14.262 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.978 12.441 2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.976 12.551 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.641 10.129 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.637 10.238 3.523 1.00 0.00 H new ATOM 0 HH TYR A 69 2.515 8.468 2.539 1.00 0.00 H new ATOM 314 N HIS A 70 1.511 15.544 3.478 1.00 0.00 N ATOM 315 CA HIS A 70 0.075 15.491 3.225 1.00 0.00 C ATOM 316 C HIS A 70 -0.325 16.471 2.125 1.00 0.00 C ATOM 317 O HIS A 70 -1.337 16.281 1.450 1.00 0.00 O ATOM 318 CB HIS A 70 -0.702 15.799 4.506 1.00 0.00 C ATOM 319 CG HIS A 70 -0.847 14.619 5.416 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.434 14.628 6.731 1.00 0.00 N ATOM 321 CD2 HIS A 70 -1.364 13.387 5.193 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.690 13.453 7.279 1.00 0.00 C ATOM 323 NE2 HIS A 70 -1.254 12.683 6.367 1.00 0.00 N ATOM 0 H HIS A 70 1.770 16.016 4.344 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.171 14.483 2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.197 16.602 5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.693 16.167 4.241 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.001 15.418 7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.784 13.026 4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.475 13.171 8.299 1.00 0.00 H new ATOM 331 N ARG A 71 0.474 17.520 1.951 1.00 0.00 N ATOM 332 CA ARG A 71 0.199 18.529 0.933 1.00 0.00 C ATOM 333 C ARG A 71 0.649 18.050 -0.444 1.00 0.00 C ATOM 334 O ARG A 71 -0.071 18.204 -1.430 1.00 0.00 O ATOM 335 CB ARG A 71 0.900 19.843 1.286 1.00 0.00 C ATOM 336 CG ARG A 71 -0.003 20.845 1.988 1.00 0.00 C ATOM 337 CD ARG A 71 0.694 22.182 2.183 1.00 0.00 C ATOM 338 NE ARG A 71 0.415 23.109 1.090 1.00 0.00 N ATOM 339 CZ ARG A 71 -0.710 23.813 0.982 1.00 0.00 C ATOM 340 NH1 ARG A 71 -1.663 23.697 1.897 1.00 0.00 N ATOM 341 NH2 ARG A 71 -0.881 24.635 -0.044 1.00 0.00 N ATOM 0 H ARG A 71 1.316 17.693 2.501 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.878 18.697 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.756 19.628 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.289 20.294 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.912 20.989 1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.306 20.447 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.371 22.625 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.770 22.023 2.257 1.00 0.00 H new ATOM 0 HE ARG A 71 1.124 23.224 0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.536 23.066 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.523 24.239 1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.151 24.728 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.743 25.174 -0.127 1.00 0.00 H new ATOM 355 N ARG A 72 1.844 17.470 -0.504 1.00 0.00 N ATOM 356 CA ARG A 72 2.389 16.970 -1.761 1.00 0.00 C ATOM 357 C ARG A 72 1.472 15.917 -2.372 1.00 0.00 C ATOM 358 O ARG A 72 1.119 15.993 -3.549 1.00 0.00 O ATOM 359 CB ARG A 72 3.784 16.383 -1.537 1.00 0.00 C ATOM 360 CG ARG A 72 4.441 15.875 -2.810 1.00 0.00 C ATOM 361 CD ARG A 72 5.478 14.802 -2.517 1.00 0.00 C ATOM 362 NE ARG A 72 6.826 15.226 -2.888 1.00 0.00 N ATOM 363 CZ ARG A 72 7.280 15.243 -4.139 1.00 0.00 C ATOM 364 NH1 ARG A 72 6.498 14.861 -5.141 1.00 0.00 N ATOM 365 NH2 ARG A 72 8.519 15.643 -4.389 1.00 0.00 N ATOM 0 H ARG A 72 2.453 17.335 0.303 1.00 0.00 H new ATOM 0 HA ARG A 72 2.462 17.807 -2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.422 17.144 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.714 15.563 -0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.679 15.472 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.915 16.706 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.455 14.556 -1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.222 13.893 -3.060 1.00 0.00 H new ATOM 0 HE ARG A 72 7.456 15.527 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.544 14.552 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.851 14.876 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.124 15.938 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.867 15.656 -5.348 1.00 0.00 H new ATOM 379 N HIS A 73 1.089 14.933 -1.565 1.00 0.00 N ATOM 380 CA HIS A 73 0.212 13.862 -2.026 1.00 0.00 C ATOM 381 C HIS A 73 -1.225 14.354 -2.195 1.00 0.00 C ATOM 382 O HIS A 73 -2.058 13.662 -2.781 1.00 0.00 O ATOM 383 CB HIS A 73 0.249 12.689 -1.044 1.00 0.00 C ATOM 384 CG HIS A 73 1.604 12.070 -0.903 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.390 11.724 -1.982 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.313 11.733 0.201 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.524 11.202 -1.550 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.502 11.196 -0.229 1.00 0.00 N ATOM 0 H HIS A 73 1.372 14.855 -0.588 1.00 0.00 H new ATOM 0 HA HIS A 73 0.574 13.530 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.088 13.034 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.457 11.927 -1.374 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.002 11.862 1.227 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.331 10.842 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.248 10.849 0.374 1.00 0.00 H new ATOM 396 N LYS A 74 -1.511 15.547 -1.680 1.00 0.00 N ATOM 397 CA LYS A 74 -2.849 16.121 -1.778 1.00 0.00 C ATOM 398 C LYS A 74 -3.872 15.242 -1.062 1.00 0.00 C ATOM 399 O LYS A 74 -4.885 14.849 -1.643 1.00 0.00 O ATOM 400 CB LYS A 74 -3.245 16.303 -3.245 1.00 0.00 C ATOM 401 CG LYS A 74 -2.439 17.371 -3.965 1.00 0.00 C ATOM 402 CD LYS A 74 -3.178 18.698 -4.001 1.00 0.00 C ATOM 403 CE LYS A 74 -2.786 19.522 -5.216 1.00 0.00 C ATOM 404 NZ LYS A 74 -3.308 18.931 -6.479 1.00 0.00 N ATOM 0 H LYS A 74 -0.835 16.134 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.835 17.097 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.122 15.354 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.303 16.561 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.479 17.502 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.227 17.044 -4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.253 18.517 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.961 19.261 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.168 20.537 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.700 19.594 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.341 19.663 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.683 18.158 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.266 18.558 -6.318 1.00 0.00 H new ATOM 418 N VAL A 75 -3.599 14.938 0.202 1.00 0.00 N ATOM 419 CA VAL A 75 -4.492 14.107 0.999 1.00 0.00 C ATOM 420 C VAL A 75 -4.333 14.405 2.486 1.00 0.00 C ATOM 421 O VAL A 75 -3.244 14.752 2.946 1.00 0.00 O ATOM 422 CB VAL A 75 -4.235 12.607 0.751 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.808 12.235 1.131 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.239 11.755 1.516 1.00 0.00 C ATOM 0 H VAL A 75 -2.765 15.255 0.697 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.510 14.346 0.691 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.365 12.410 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.648 11.172 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.108 12.816 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.645 12.450 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.040 10.700 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.148 11.956 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.249 11.998 1.186 1.00 0.00 H new ATOM 434 N CYS A 76 -5.422 14.268 3.234 1.00 0.00 N ATOM 435 CA CYS A 76 -5.397 14.524 4.670 1.00 0.00 C ATOM 436 C CYS A 76 -5.143 13.235 5.447 1.00 0.00 C ATOM 437 O CYS A 76 -5.368 12.136 4.939 1.00 0.00 O ATOM 438 CB CYS A 76 -6.714 15.171 5.117 1.00 0.00 C ATOM 439 SG CYS A 76 -8.132 14.047 5.143 1.00 0.00 S ATOM 0 H CYS A 76 -6.331 13.982 2.871 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.580 15.213 4.882 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.579 15.588 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.939 16.004 4.451 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.190 14.692 5.536 1.00 0.00 H new ATOM 444 N GLU A 77 -4.666 13.377 6.680 1.00 0.00 N ATOM 445 CA GLU A 77 -4.370 12.225 7.526 1.00 0.00 C ATOM 446 C GLU A 77 -5.622 11.392 7.785 1.00 0.00 C ATOM 447 O GLU A 77 -5.546 10.170 7.924 1.00 0.00 O ATOM 448 CB GLU A 77 -3.768 12.685 8.855 1.00 0.00 C ATOM 449 CG GLU A 77 -2.816 11.675 9.474 1.00 0.00 C ATOM 450 CD GLU A 77 -2.419 12.041 10.891 1.00 0.00 C ATOM 451 OE1 GLU A 77 -3.266 11.911 11.798 1.00 0.00 O ATOM 452 OE2 GLU A 77 -1.258 12.457 11.093 1.00 0.00 O ATOM 0 H GLU A 77 -4.476 14.279 7.116 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.648 11.601 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.237 13.624 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.575 12.889 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.286 10.691 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.920 11.600 8.857 1.00 0.00 H new ATOM 459 N VAL A 78 -6.771 12.055 7.855 1.00 0.00 N ATOM 460 CA VAL A 78 -8.036 11.369 8.104 1.00 0.00 C ATOM 461 C VAL A 78 -8.289 10.274 7.073 1.00 0.00 C ATOM 462 O VAL A 78 -8.729 9.177 7.415 1.00 0.00 O ATOM 463 CB VAL A 78 -9.222 12.353 8.089 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.497 11.660 8.543 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.923 13.563 8.963 1.00 0.00 C ATOM 0 H VAL A 78 -6.854 13.065 7.743 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.956 10.918 9.093 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.370 12.700 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.323 12.371 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.718 10.830 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.365 11.282 9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.771 14.247 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.747 13.237 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.036 14.073 8.587 1.00 0.00 H new ATOM 475 N HIS A 79 -8.012 10.580 5.809 1.00 0.00 N ATOM 476 CA HIS A 79 -8.213 9.620 4.731 1.00 0.00 C ATOM 477 C HIS A 79 -6.956 8.787 4.500 1.00 0.00 C ATOM 478 O HIS A 79 -7.033 7.633 4.075 1.00 0.00 O ATOM 479 CB HIS A 79 -8.601 10.345 3.440 1.00 0.00 C ATOM 480 CG HIS A 79 -10.048 10.726 3.381 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.480 12.028 3.249 1.00 0.00 N ATOM 482 CD2 HIS A 79 -11.168 9.965 3.434 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.802 12.055 3.226 1.00 0.00 C ATOM 484 NE2 HIS A 79 -12.243 10.815 3.337 1.00 0.00 N ATOM 0 H HIS A 79 -7.648 11.484 5.507 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.022 8.950 5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.992 11.244 3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.367 9.705 2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.208 8.890 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.415 12.939 3.133 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.223 10.534 3.349 1.00 0.00 H new ATOM 491 N ALA A 80 -5.800 9.376 4.786 1.00 0.00 N ATOM 492 CA ALA A 80 -4.528 8.687 4.612 1.00 0.00 C ATOM 493 C ALA A 80 -4.415 7.490 5.550 1.00 0.00 C ATOM 494 O ALA A 80 -3.744 6.507 5.239 1.00 0.00 O ATOM 495 CB ALA A 80 -3.373 9.651 4.841 1.00 0.00 C ATOM 0 H ALA A 80 -5.718 10.329 5.139 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.482 8.315 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.428 9.125 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.436 10.470 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.427 10.049 5.854 1.00 0.00 H new ATOM 501 N LYS A 81 -5.076 7.579 6.700 1.00 0.00 N ATOM 502 CA LYS A 81 -5.047 6.501 7.683 1.00 0.00 C ATOM 503 C LYS A 81 -6.459 6.129 8.126 1.00 0.00 C ATOM 504 O LYS A 81 -6.702 5.870 9.305 1.00 0.00 O ATOM 505 CB LYS A 81 -4.211 6.913 8.895 1.00 0.00 C ATOM 506 CG LYS A 81 -3.540 5.742 9.597 1.00 0.00 C ATOM 507 CD LYS A 81 -3.113 6.110 11.009 1.00 0.00 C ATOM 508 CE LYS A 81 -4.126 5.643 12.041 1.00 0.00 C ATOM 509 NZ LYS A 81 -4.419 6.699 13.049 1.00 0.00 N ATOM 0 H LYS A 81 -5.638 8.385 6.974 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.592 5.628 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.446 7.621 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.851 7.435 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.226 4.896 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.669 5.423 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.142 5.664 11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.990 7.191 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.049 5.354 11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.747 4.755 12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.114 6.341 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.543 6.957 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.805 7.538 12.571 1.00 0.00 H new ATOM 523 N ALA A 82 -7.387 6.102 7.174 1.00 0.00 N ATOM 524 CA ALA A 82 -8.772 5.759 7.469 1.00 0.00 C ATOM 525 C ALA A 82 -9.005 4.257 7.345 1.00 0.00 C ATOM 526 O ALA A 82 -9.854 3.690 8.034 1.00 0.00 O ATOM 527 CB ALA A 82 -9.711 6.519 6.542 1.00 0.00 C ATOM 0 H ALA A 82 -7.204 6.313 6.193 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.981 6.048 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.743 6.254 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.572 7.591 6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.492 6.257 5.507 1.00 0.00 H new ATOM 533 N SER A 83 -8.244 3.617 6.460 1.00 0.00 N ATOM 534 CA SER A 83 -8.363 2.178 6.240 1.00 0.00 C ATOM 535 C SER A 83 -9.682 1.824 5.552 1.00 0.00 C ATOM 536 O SER A 83 -10.041 0.652 5.452 1.00 0.00 O ATOM 537 CB SER A 83 -8.252 1.424 7.569 1.00 0.00 C ATOM 538 OG SER A 83 -7.354 2.074 8.452 1.00 0.00 O ATOM 0 H SER A 83 -7.537 4.073 5.883 1.00 0.00 H new ATOM 0 HA SER A 83 -7.546 1.876 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.236 1.353 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.912 0.405 7.385 1.00 0.00 H new ATOM 0 HG SER A 83 -7.303 1.574 9.293 1.00 0.00 H new ATOM 544 N SER A 84 -10.399 2.841 5.077 1.00 0.00 N ATOM 545 CA SER A 84 -11.675 2.631 4.399 1.00 0.00 C ATOM 546 C SER A 84 -12.274 3.961 3.952 1.00 0.00 C ATOM 547 O SER A 84 -12.651 4.790 4.780 1.00 0.00 O ATOM 548 CB SER A 84 -12.656 1.895 5.317 1.00 0.00 C ATOM 549 OG SER A 84 -13.368 2.805 6.140 1.00 0.00 O ATOM 0 H SER A 84 -10.117 3.819 5.150 1.00 0.00 H new ATOM 0 HA SER A 84 -11.493 2.018 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.358 1.318 4.715 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.112 1.185 5.940 1.00 0.00 H new ATOM 0 HG SER A 84 -13.017 3.710 6.007 1.00 0.00 H new ATOM 555 N VAL A 85 -12.358 4.159 2.641 1.00 0.00 N ATOM 556 CA VAL A 85 -12.911 5.391 2.090 1.00 0.00 C ATOM 557 C VAL A 85 -13.947 5.096 1.010 1.00 0.00 C ATOM 558 O VAL A 85 -13.935 4.027 0.401 1.00 0.00 O ATOM 559 CB VAL A 85 -11.810 6.290 1.493 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.328 7.704 1.285 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.576 6.295 2.384 1.00 0.00 C ATOM 0 H VAL A 85 -12.051 3.484 1.941 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.389 5.916 2.917 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.526 5.883 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.536 8.323 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.176 7.684 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.643 8.120 2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.812 6.936 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.842 6.673 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.190 5.280 2.476 1.00 0.00 H new ATOM 571 N PHE A 86 -14.842 6.051 0.779 1.00 0.00 N ATOM 572 CA PHE A 86 -15.884 5.895 -0.228 1.00 0.00 C ATOM 573 C PHE A 86 -15.506 6.617 -1.518 1.00 0.00 C ATOM 574 O PHE A 86 -15.781 7.806 -1.679 1.00 0.00 O ATOM 575 CB PHE A 86 -17.217 6.431 0.298 1.00 0.00 C ATOM 576 CG PHE A 86 -18.410 5.660 -0.193 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.457 4.281 -0.077 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.483 6.317 -0.773 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.552 3.570 -0.530 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.582 5.611 -1.226 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.616 4.236 -1.104 1.00 0.00 C ATOM 0 H PHE A 86 -14.866 6.941 1.276 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.988 4.832 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -17.204 6.409 1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.322 7.475 0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.628 3.755 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.461 7.392 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.575 2.494 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.413 6.134 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.474 3.683 -1.457 1.00 0.00 H new ATOM 591 N LEU A 87 -14.871 5.891 -2.431 1.00 0.00 N ATOM 592 CA LEU A 87 -14.453 6.463 -3.706 1.00 0.00 C ATOM 593 C LEU A 87 -15.332 5.954 -4.847 1.00 0.00 C ATOM 594 O LEU A 87 -15.281 4.778 -5.206 1.00 0.00 O ATOM 595 CB LEU A 87 -12.985 6.124 -3.982 1.00 0.00 C ATOM 596 CG LEU A 87 -12.079 7.332 -4.225 1.00 0.00 C ATOM 597 CD1 LEU A 87 -11.994 8.194 -2.974 1.00 0.00 C ATOM 598 CD2 LEU A 87 -10.693 6.878 -4.656 1.00 0.00 C ATOM 0 H LEU A 87 -14.634 4.906 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.563 7.546 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.593 5.559 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.936 5.470 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.510 7.932 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.345 9.049 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.990 8.547 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.585 7.605 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.061 7.750 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.254 6.257 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.769 6.301 -5.578 1.00 0.00 H new ATOM 610 N SER A 88 -16.137 6.849 -5.411 1.00 0.00 N ATOM 611 CA SER A 88 -17.026 6.492 -6.510 1.00 0.00 C ATOM 612 C SER A 88 -17.981 5.375 -6.100 1.00 0.00 C ATOM 613 O SER A 88 -18.323 4.511 -6.905 1.00 0.00 O ATOM 614 CB SER A 88 -16.212 6.065 -7.735 1.00 0.00 C ATOM 615 OG SER A 88 -16.539 6.854 -8.865 1.00 0.00 O ATOM 0 H SER A 88 -16.192 7.827 -5.125 1.00 0.00 H new ATOM 0 HA SER A 88 -17.617 7.371 -6.766 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.148 6.158 -7.519 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.402 5.014 -7.954 1.00 0.00 H new ATOM 0 HG SER A 88 -16.005 6.563 -9.633 1.00 0.00 H new ATOM 621 N GLY A 89 -18.408 5.402 -4.841 1.00 0.00 N ATOM 622 CA GLY A 89 -19.320 4.387 -4.345 1.00 0.00 C ATOM 623 C GLY A 89 -18.641 3.046 -4.144 1.00 0.00 C ATOM 624 O GLY A 89 -19.287 2.000 -4.211 1.00 0.00 O ATOM 0 H GLY A 89 -18.139 6.108 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.749 4.719 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.146 4.271 -5.047 1.00 0.00 H new ATOM 628 N LEU A 90 -17.336 3.075 -3.896 1.00 0.00 N ATOM 629 CA LEU A 90 -16.570 1.854 -3.684 1.00 0.00 C ATOM 630 C LEU A 90 -15.555 2.039 -2.560 1.00 0.00 C ATOM 631 O LEU A 90 -15.049 3.140 -2.342 1.00 0.00 O ATOM 632 CB LEU A 90 -15.857 1.442 -4.976 1.00 0.00 C ATOM 633 CG LEU A 90 -16.317 0.109 -5.569 1.00 0.00 C ATOM 634 CD1 LEU A 90 -17.311 0.340 -6.698 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.125 -0.696 -6.064 1.00 0.00 C ATOM 0 H LEU A 90 -16.787 3.932 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.263 1.063 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -16.005 2.224 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.786 1.386 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 90 -16.815 -0.461 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -17.627 -0.620 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.180 0.874 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.839 0.931 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.472 -1.641 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.598 -0.131 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -14.449 -0.894 -5.232 1.00 0.00 H new ATOM 647 N ASN A 91 -15.261 0.955 -1.850 1.00 0.00 N ATOM 648 CA ASN A 91 -14.305 1.000 -0.749 1.00 0.00 C ATOM 649 C ASN A 91 -12.874 0.958 -1.271 1.00 0.00 C ATOM 650 O ASN A 91 -12.486 0.027 -1.977 1.00 0.00 O ATOM 651 CB ASN A 91 -14.545 -0.168 0.210 1.00 0.00 C ATOM 652 CG ASN A 91 -15.524 0.182 1.314 1.00 0.00 C ATOM 653 OD1 ASN A 91 -16.657 -0.299 1.329 1.00 0.00 O ATOM 654 ND2 ASN A 91 -15.090 1.022 2.246 1.00 0.00 N ATOM 0 H ASN A 91 -15.670 0.036 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.450 1.937 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.924 -1.023 -0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.596 -0.472 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.704 1.293 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -14.143 1.396 2.194 1.00 0.00 H new ATOM 661 N GLN A 92 -12.090 1.972 -0.918 1.00 0.00 N ATOM 662 CA GLN A 92 -10.700 2.050 -1.352 1.00 0.00 C ATOM 663 C GLN A 92 -9.780 2.389 -0.184 1.00 0.00 C ATOM 664 O GLN A 92 -10.230 2.881 0.851 1.00 0.00 O ATOM 665 CB GLN A 92 -10.547 3.097 -2.457 1.00 0.00 C ATOM 666 CG GLN A 92 -11.148 2.672 -3.787 1.00 0.00 C ATOM 667 CD GLN A 92 -10.272 3.045 -4.967 1.00 0.00 C ATOM 668 OE1 GLN A 92 -9.109 2.649 -5.042 1.00 0.00 O ATOM 669 NE2 GLN A 92 -10.828 3.811 -5.899 1.00 0.00 N ATOM 0 H GLN A 92 -12.394 2.750 -0.333 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.414 1.073 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.019 4.025 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.488 3.311 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.306 1.593 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.127 3.137 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.796 4.117 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.287 4.093 -6.717 1.00 0.00 H new ATOM 678 N ARG A 93 -8.491 2.124 -0.359 1.00 0.00 N ATOM 679 CA ARG A 93 -7.504 2.401 0.679 1.00 0.00 C ATOM 680 C ARG A 93 -6.316 3.168 0.106 1.00 0.00 C ATOM 681 O ARG A 93 -5.994 3.043 -1.075 1.00 0.00 O ATOM 682 CB ARG A 93 -7.024 1.096 1.318 1.00 0.00 C ATOM 683 CG ARG A 93 -8.136 0.297 1.979 1.00 0.00 C ATOM 684 CD ARG A 93 -7.600 -0.629 3.060 1.00 0.00 C ATOM 685 NE ARG A 93 -6.713 0.066 3.990 1.00 0.00 N ATOM 686 CZ ARG A 93 -5.879 -0.552 4.823 1.00 0.00 C ATOM 687 NH1 ARG A 93 -5.816 -1.877 4.847 1.00 0.00 N ATOM 688 NH2 ARG A 93 -5.107 0.157 5.635 1.00 0.00 N ATOM 0 H ARG A 93 -8.104 1.717 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 93 -7.978 3.017 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.550 0.480 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.261 1.325 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.865 0.980 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.660 -0.290 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.434 -1.063 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.062 -1.455 2.595 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.734 1.086 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.408 -2.427 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.175 -2.346 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.152 1.176 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.468 -0.316 6.273 1.00 0.00 H new ATOM 702 N PHE A 94 -5.669 3.965 0.951 1.00 0.00 N ATOM 703 CA PHE A 94 -4.517 4.753 0.527 1.00 0.00 C ATOM 704 C PHE A 94 -3.274 3.879 0.394 1.00 0.00 C ATOM 705 O PHE A 94 -2.715 3.424 1.392 1.00 0.00 O ATOM 706 CB PHE A 94 -4.254 5.886 1.520 1.00 0.00 C ATOM 707 CG PHE A 94 -3.158 6.818 1.088 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.162 7.373 -0.181 1.00 0.00 C ATOM 709 CD2 PHE A 94 -2.124 7.141 1.952 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.155 8.230 -0.582 1.00 0.00 C ATOM 711 CE2 PHE A 94 -1.114 7.998 1.559 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.130 8.545 0.289 1.00 0.00 C ATOM 0 H PHE A 94 -5.923 4.082 1.932 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.743 5.180 -0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.172 6.457 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.995 5.457 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.962 7.133 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.107 6.717 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.169 8.653 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.314 8.240 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.343 9.217 -0.021 1.00 0.00 H new ATOM 722 N CYS A 95 -2.847 3.650 -0.843 1.00 0.00 N ATOM 723 CA CYS A 95 -1.668 2.833 -1.107 1.00 0.00 C ATOM 724 C CYS A 95 -0.417 3.701 -1.200 1.00 0.00 C ATOM 725 O CYS A 95 -0.167 4.338 -2.224 1.00 0.00 O ATOM 726 CB CYS A 95 -1.849 2.037 -2.402 1.00 0.00 C ATOM 727 SG CYS A 95 -0.429 1.008 -2.842 1.00 0.00 S ATOM 0 H CYS A 95 -3.300 4.019 -1.679 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.546 2.137 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.729 1.401 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.047 2.732 -3.218 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.368 -0.013 -2.040 1.00 0.00 H new ATOM 732 N GLN A 96 0.364 3.723 -0.126 1.00 0.00 N ATOM 733 CA GLN A 96 1.589 4.513 -0.088 1.00 0.00 C ATOM 734 C GLN A 96 2.595 4.009 -1.119 1.00 0.00 C ATOM 735 O GLN A 96 3.438 4.767 -1.598 1.00 0.00 O ATOM 736 CB GLN A 96 2.208 4.465 1.310 1.00 0.00 C ATOM 737 CG GLN A 96 3.120 5.643 1.611 1.00 0.00 C ATOM 738 CD GLN A 96 4.589 5.289 1.484 1.00 0.00 C ATOM 739 OE1 GLN A 96 4.941 4.154 1.166 1.00 0.00 O ATOM 740 NE2 GLN A 96 5.456 6.265 1.732 1.00 0.00 N ATOM 0 H GLN A 96 0.171 3.203 0.730 1.00 0.00 H new ATOM 0 HA GLN A 96 1.334 5.545 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.409 4.436 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.775 3.540 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.887 6.462 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.922 6.002 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.120 7.192 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.458 6.087 1.662 1.00 0.00 H new ATOM 749 N GLN A 97 2.504 2.726 -1.455 1.00 0.00 N ATOM 750 CA GLN A 97 3.410 2.124 -2.427 1.00 0.00 C ATOM 751 C GLN A 97 3.316 2.832 -3.777 1.00 0.00 C ATOM 752 O GLN A 97 4.331 3.080 -4.429 1.00 0.00 O ATOM 753 CB GLN A 97 3.097 0.635 -2.594 1.00 0.00 C ATOM 754 CG GLN A 97 4.074 -0.275 -1.866 1.00 0.00 C ATOM 755 CD GLN A 97 3.706 -1.741 -1.986 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.248 -2.359 -1.025 1.00 0.00 O ATOM 757 NE2 GLN A 97 3.904 -2.306 -3.172 1.00 0.00 N ATOM 0 H GLN A 97 1.812 2.083 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 97 4.428 2.235 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.089 0.440 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.104 0.387 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.076 -0.122 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.107 0.002 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.286 -1.756 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.674 -3.290 -3.313 1.00 0.00 H new ATOM 766 N CYS A 98 2.094 3.156 -4.192 1.00 0.00 N ATOM 767 CA CYS A 98 1.877 3.836 -5.465 1.00 0.00 C ATOM 768 C CYS A 98 1.335 5.249 -5.257 1.00 0.00 C ATOM 769 O CYS A 98 0.812 5.865 -6.184 1.00 0.00 O ATOM 770 CB CYS A 98 0.909 3.031 -6.335 1.00 0.00 C ATOM 771 SG CYS A 98 1.289 1.267 -6.427 1.00 0.00 S ATOM 0 H CYS A 98 1.242 2.959 -3.667 1.00 0.00 H new ATOM 0 HA CYS A 98 2.840 3.913 -5.970 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.101 3.154 -5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.914 3.445 -7.343 1.00 0.00 H new ATOM 0 HG CYS A 98 0.414 0.673 -7.183 1.00 0.00 H new ATOM 776 N SER A 99 1.464 5.761 -4.036 1.00 0.00 N ATOM 777 CA SER A 99 0.993 7.107 -3.709 1.00 0.00 C ATOM 778 C SER A 99 -0.442 7.343 -4.183 1.00 0.00 C ATOM 779 O SER A 99 -0.872 8.489 -4.328 1.00 0.00 O ATOM 780 CB SER A 99 1.920 8.154 -4.329 1.00 0.00 C ATOM 781 OG SER A 99 1.693 9.435 -3.765 1.00 0.00 O ATOM 0 H SER A 99 1.891 5.264 -3.254 1.00 0.00 H new ATOM 0 HA SER A 99 1.005 7.201 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.959 7.863 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.759 8.194 -5.406 1.00 0.00 H new ATOM 0 HG SER A 99 0.734 9.634 -3.781 1.00 0.00 H new ATOM 787 N ARG A 100 -1.184 6.264 -4.418 1.00 0.00 N ATOM 788 CA ARG A 100 -2.568 6.376 -4.867 1.00 0.00 C ATOM 789 C ARG A 100 -3.468 5.422 -4.089 1.00 0.00 C ATOM 790 O ARG A 100 -3.012 4.728 -3.182 1.00 0.00 O ATOM 791 CB ARG A 100 -2.671 6.093 -6.367 1.00 0.00 C ATOM 792 CG ARG A 100 -2.127 4.733 -6.772 1.00 0.00 C ATOM 793 CD ARG A 100 -2.574 4.350 -8.173 1.00 0.00 C ATOM 794 NE ARG A 100 -2.340 5.424 -9.135 1.00 0.00 N ATOM 795 CZ ARG A 100 -2.934 5.496 -10.324 1.00 0.00 C ATOM 796 NH1 ARG A 100 -3.797 4.562 -10.702 1.00 0.00 N ATOM 797 NH2 ARG A 100 -2.665 6.509 -11.139 1.00 0.00 N ATOM 0 H ARG A 100 -0.852 5.306 -4.305 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.903 7.396 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.716 6.161 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.131 6.867 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.038 4.747 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.465 3.978 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.040 3.455 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.635 4.100 -8.159 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.683 6.162 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.009 3.782 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.248 4.624 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.004 7.231 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.120 6.565 -12.050 1.00 0.00 H new ATOM 811 N PHE A 101 -4.748 5.395 -4.447 1.00 0.00 N ATOM 812 CA PHE A 101 -5.709 4.527 -3.776 1.00 0.00 C ATOM 813 C PHE A 101 -5.963 3.258 -4.583 1.00 0.00 C ATOM 814 O PHE A 101 -5.700 3.211 -5.785 1.00 0.00 O ATOM 815 CB PHE A 101 -7.025 5.272 -3.548 1.00 0.00 C ATOM 816 CG PHE A 101 -7.027 6.121 -2.307 1.00 0.00 C ATOM 817 CD1 PHE A 101 -6.319 7.311 -2.267 1.00 0.00 C ATOM 818 CD2 PHE A 101 -7.737 5.728 -1.184 1.00 0.00 C ATOM 819 CE1 PHE A 101 -6.318 8.094 -1.127 1.00 0.00 C ATOM 820 CE2 PHE A 101 -7.740 6.506 -0.042 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.030 7.691 -0.014 1.00 0.00 C ATOM 0 H PHE A 101 -5.143 5.963 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.287 4.240 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.229 5.905 -4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.837 4.548 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.762 7.631 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.294 4.803 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.761 9.019 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.296 6.188 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.032 8.301 0.877 1.00 0.00 H new ATOM 831 N HIS A 102 -6.475 2.230 -3.913 1.00 0.00 N ATOM 832 CA HIS A 102 -6.768 0.958 -4.564 1.00 0.00 C ATOM 833 C HIS A 102 -8.038 0.336 -3.993 1.00 0.00 C ATOM 834 O HIS A 102 -8.661 0.893 -3.088 1.00 0.00 O ATOM 835 CB HIS A 102 -5.593 -0.006 -4.395 1.00 0.00 C ATOM 836 CG HIS A 102 -4.395 0.365 -5.210 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.483 1.009 -6.427 1.00 0.00 N ATOM 838 CD2 HIS A 102 -3.073 0.185 -4.977 1.00 0.00 C ATOM 839 CE1 HIS A 102 -3.269 1.209 -6.907 1.00 0.00 C ATOM 840 NE2 HIS A 102 -2.396 0.718 -6.046 1.00 0.00 N ATOM 0 H HIS A 102 -6.696 2.254 -2.917 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.924 1.148 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.310 -0.041 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.914 -1.010 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.633 -0.289 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.031 1.692 -7.843 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -1.382 0.732 -6.157 1.00 0.00 H new ATOM 848 N ASP A 103 -8.419 -0.820 -4.527 1.00 0.00 N ATOM 849 CA ASP A 103 -9.615 -1.517 -4.070 1.00 0.00 C ATOM 850 C ASP A 103 -9.404 -2.108 -2.679 1.00 0.00 C ATOM 851 O ASP A 103 -8.286 -2.464 -2.309 1.00 0.00 O ATOM 852 CB ASP A 103 -9.996 -2.623 -5.056 1.00 0.00 C ATOM 853 CG ASP A 103 -11.413 -3.121 -4.847 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.357 -2.409 -5.250 1.00 0.00 O ATOM 855 OD2 ASP A 103 -11.578 -4.222 -4.281 1.00 0.00 O ATOM 0 H ASP A 103 -7.916 -1.294 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.428 -0.793 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.892 -2.250 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.301 -3.456 -4.949 1.00 0.00 H new ATOM 860 N LEU A 104 -10.488 -2.212 -1.915 1.00 0.00 N ATOM 861 CA LEU A 104 -10.422 -2.761 -0.566 1.00 0.00 C ATOM 862 C LEU A 104 -9.882 -4.190 -0.579 1.00 0.00 C ATOM 863 O LEU A 104 -9.389 -4.684 0.436 1.00 0.00 O ATOM 864 CB LEU A 104 -11.808 -2.732 0.088 1.00 0.00 C ATOM 865 CG LEU A 104 -11.842 -2.185 1.518 1.00 0.00 C ATOM 866 CD1 LEU A 104 -13.212 -2.406 2.140 1.00 0.00 C ATOM 867 CD2 LEU A 104 -10.761 -2.835 2.368 1.00 0.00 C ATOM 0 H LEU A 104 -11.421 -1.923 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.739 -2.142 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.472 -2.128 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.211 -3.745 0.094 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.648 -1.113 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.218 -2.011 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.968 -1.892 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.433 -3.473 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.803 -2.432 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.922 -3.913 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.783 -2.627 1.935 1.00 0.00 H new ATOM 879 N GLN A 105 -9.977 -4.850 -1.730 1.00 0.00 N ATOM 880 CA GLN A 105 -9.497 -6.220 -1.866 1.00 0.00 C ATOM 881 C GLN A 105 -8.022 -6.248 -2.262 1.00 0.00 C ATOM 882 O GLN A 105 -7.633 -6.932 -3.209 1.00 0.00 O ATOM 883 CB GLN A 105 -10.334 -6.972 -2.904 1.00 0.00 C ATOM 884 CG GLN A 105 -11.524 -7.706 -2.307 1.00 0.00 C ATOM 885 CD GLN A 105 -12.682 -6.780 -1.990 1.00 0.00 C ATOM 886 OE1 GLN A 105 -13.177 -6.749 -0.863 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.121 -6.017 -2.985 1.00 0.00 N ATOM 0 H GLN A 105 -10.382 -4.458 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.600 -6.713 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -10.692 -6.265 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.697 -7.689 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.859 -8.475 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -11.212 -8.216 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.682 -6.074 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.897 -5.374 -2.830 1.00 0.00 H new ATOM 896 N GLU A 106 -7.205 -5.503 -1.527 1.00 0.00 N ATOM 897 CA GLU A 106 -5.771 -5.442 -1.796 1.00 0.00 C ATOM 898 C GLU A 106 -4.996 -5.056 -0.539 1.00 0.00 C ATOM 899 O GLU A 106 -3.907 -4.489 -0.620 1.00 0.00 O ATOM 900 CB GLU A 106 -5.484 -4.440 -2.915 1.00 0.00 C ATOM 901 CG GLU A 106 -5.767 -4.982 -4.306 1.00 0.00 C ATOM 902 CD GLU A 106 -4.684 -4.623 -5.304 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.378 -3.420 -5.443 1.00 0.00 O ATOM 904 OE2 GLU A 106 -4.140 -5.545 -5.947 1.00 0.00 O ATOM 0 H GLU A 106 -7.510 -4.932 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.443 -6.433 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.086 -3.546 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.439 -4.135 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.865 -6.066 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.722 -4.592 -4.656 1.00 0.00 H new ATOM 911 N PHE A 107 -5.566 -5.367 0.623 1.00 0.00 N ATOM 912 CA PHE A 107 -4.927 -5.053 1.896 1.00 0.00 C ATOM 913 C PHE A 107 -5.414 -5.998 2.992 1.00 0.00 C ATOM 914 O PHE A 107 -6.050 -5.570 3.957 1.00 0.00 O ATOM 915 CB PHE A 107 -5.214 -3.602 2.291 1.00 0.00 C ATOM 916 CG PHE A 107 -4.959 -2.613 1.189 1.00 0.00 C ATOM 917 CD1 PHE A 107 -5.936 -2.338 0.247 1.00 0.00 C ATOM 918 CD2 PHE A 107 -3.740 -1.958 1.097 1.00 0.00 C ATOM 919 CE1 PHE A 107 -5.704 -1.429 -0.767 1.00 0.00 C ATOM 920 CE2 PHE A 107 -3.502 -1.048 0.083 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.487 -0.782 -0.849 1.00 0.00 C ATOM 0 H PHE A 107 -6.468 -5.836 0.708 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.851 -5.182 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.254 -3.520 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.598 -3.341 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.890 -2.840 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.968 -2.161 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.475 -1.224 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.548 -0.546 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.305 -0.069 -1.640 1.00 0.00 H new ATOM 931 N ASP A 108 -5.112 -7.283 2.837 1.00 0.00 N ATOM 932 CA ASP A 108 -5.521 -8.286 3.815 1.00 0.00 C ATOM 933 C ASP A 108 -5.013 -9.670 3.426 1.00 0.00 C ATOM 934 O ASP A 108 -4.613 -10.459 4.282 1.00 0.00 O ATOM 935 CB ASP A 108 -7.046 -8.311 3.945 1.00 0.00 C ATOM 936 CG ASP A 108 -7.739 -8.399 2.599 1.00 0.00 C ATOM 937 OD1 ASP A 108 -7.601 -7.450 1.797 1.00 0.00 O ATOM 938 OD2 ASP A 108 -8.417 -9.415 2.346 1.00 0.00 O ATOM 0 H ASP A 108 -4.587 -7.654 2.045 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.083 -8.015 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.342 -9.161 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.379 -7.412 4.464 1.00 0.00 H new ATOM 943 N GLU A 109 -5.032 -9.958 2.129 1.00 0.00 N ATOM 944 CA GLU A 109 -4.573 -11.247 1.621 1.00 0.00 C ATOM 945 C GLU A 109 -3.173 -11.573 2.130 1.00 0.00 C ATOM 946 O GLU A 109 -2.839 -12.735 2.361 1.00 0.00 O ATOM 947 CB GLU A 109 -4.587 -11.248 0.091 1.00 0.00 C ATOM 948 CG GLU A 109 -5.185 -12.508 -0.512 1.00 0.00 C ATOM 949 CD GLU A 109 -6.106 -12.214 -1.680 1.00 0.00 C ATOM 950 OE1 GLU A 109 -6.844 -11.208 -1.618 1.00 0.00 O ATOM 951 OE2 GLU A 109 -6.090 -12.991 -2.659 1.00 0.00 O ATOM 0 H GLU A 109 -5.361 -9.315 1.409 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.255 -12.015 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.152 -10.384 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.566 -11.130 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.381 -13.165 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.739 -13.047 0.257 1.00 0.00 H new ATOM 958 N ALA A 110 -2.357 -10.538 2.305 1.00 0.00 N ATOM 959 CA ALA A 110 -0.993 -10.714 2.788 1.00 0.00 C ATOM 960 C ALA A 110 -0.309 -9.369 3.005 1.00 0.00 C ATOM 961 O ALA A 110 0.172 -9.075 4.100 1.00 0.00 O ATOM 962 CB ALA A 110 -0.194 -11.564 1.811 1.00 0.00 C ATOM 0 H ALA A 110 -2.617 -9.569 2.119 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.037 -11.228 3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.823 -11.688 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -0.665 -12.542 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.167 -11.072 0.839 1.00 0.00 H new ATOM 968 N LYS A 111 -0.269 -8.556 1.955 1.00 0.00 N ATOM 969 CA LYS A 111 0.359 -7.241 2.030 1.00 0.00 C ATOM 970 C LYS A 111 -0.662 -6.171 2.402 1.00 0.00 C ATOM 971 O LYS A 111 -1.828 -6.249 2.015 1.00 0.00 O ATOM 972 CB LYS A 111 1.020 -6.892 0.696 1.00 0.00 C ATOM 973 CG LYS A 111 2.398 -7.510 0.519 1.00 0.00 C ATOM 974 CD LYS A 111 2.331 -8.804 -0.276 1.00 0.00 C ATOM 975 CE LYS A 111 3.706 -9.433 -0.432 1.00 0.00 C ATOM 976 NZ LYS A 111 3.943 -10.507 0.573 1.00 0.00 N ATOM 0 H LYS A 111 -0.664 -8.784 1.042 1.00 0.00 H new ATOM 0 HA LYS A 111 1.122 -7.274 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.375 -7.224 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.104 -5.808 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.052 -6.803 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.839 -7.705 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.663 -9.506 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.906 -8.606 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.804 -9.847 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.471 -8.664 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.891 -10.910 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.875 -10.107 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.229 -11.254 0.458 1.00 0.00 H new ATOM 990 N ARG A 112 -0.214 -5.169 3.153 1.00 0.00 N ATOM 991 CA ARG A 112 -1.086 -4.082 3.578 1.00 0.00 C ATOM 992 C ARG A 112 -0.767 -2.800 2.812 1.00 0.00 C ATOM 993 O ARG A 112 -0.856 -1.701 3.359 1.00 0.00 O ATOM 994 CB ARG A 112 -0.942 -3.840 5.081 1.00 0.00 C ATOM 995 CG ARG A 112 0.496 -3.634 5.527 1.00 0.00 C ATOM 996 CD ARG A 112 0.569 -2.916 6.866 1.00 0.00 C ATOM 997 NE ARG A 112 0.814 -3.841 7.970 1.00 0.00 N ATOM 998 CZ ARG A 112 1.168 -3.457 9.194 1.00 0.00 C ATOM 999 NH1 ARG A 112 1.318 -2.169 9.476 1.00 0.00 N ATOM 1000 NH2 ARG A 112 1.370 -4.364 10.140 1.00 0.00 N ATOM 0 H ARG A 112 0.749 -5.089 3.479 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.115 -4.369 3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.529 -2.964 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.363 -4.689 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.996 -4.600 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.032 -3.056 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.363 -2.170 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.364 -2.381 7.042 1.00 0.00 H new ATOM 0 HE ARG A 112 0.707 -4.840 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.162 -1.467 8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.589 -1.881 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.254 -5.355 9.929 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.641 -4.070 11.078 1.00 0.00 H new ATOM 1014 N SER A 113 -0.396 -2.951 1.546 1.00 0.00 N ATOM 1015 CA SER A 113 -0.062 -1.807 0.705 1.00 0.00 C ATOM 1016 C SER A 113 -0.320 -2.118 -0.763 1.00 0.00 C ATOM 1017 O SER A 113 -1.108 -1.442 -1.425 1.00 0.00 O ATOM 1018 CB SER A 113 1.401 -1.410 0.905 1.00 0.00 C ATOM 1019 OG SER A 113 1.533 -0.448 1.937 1.00 0.00 O ATOM 0 H SER A 113 -0.319 -3.854 1.079 1.00 0.00 H new ATOM 0 HA SER A 113 -0.700 -0.974 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.990 -2.294 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.802 -1.007 -0.025 1.00 0.00 H new ATOM 0 HG SER A 113 0.830 -0.587 2.605 1.00 0.00 H new ATOM 1025 N CYS A 114 0.352 -3.143 -1.265 1.00 0.00 N ATOM 1026 CA CYS A 114 0.203 -3.550 -2.657 1.00 0.00 C ATOM 1027 C CYS A 114 0.994 -4.823 -2.937 1.00 0.00 C ATOM 1028 O CYS A 114 1.654 -5.363 -2.050 1.00 0.00 O ATOM 1029 CB CYS A 114 0.673 -2.426 -3.583 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.299 -2.252 -5.096 1.00 0.00 S ATOM 0 H CYS A 114 1.008 -3.711 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.851 -3.753 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.643 -1.484 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.714 -2.605 -3.853 1.00 0.00 H new ATOM 0 HG CYS A 114 0.178 -1.274 -5.808 1.00 0.00 H new ATOM 1035 N ARG A 115 0.923 -5.299 -4.176 1.00 0.00 N ATOM 1036 CA ARG A 115 1.635 -6.509 -4.572 1.00 0.00 C ATOM 1037 C ARG A 115 2.424 -6.286 -5.858 1.00 0.00 C ATOM 1038 O ARG A 115 2.681 -7.225 -6.612 1.00 0.00 O ATOM 1039 CB ARG A 115 0.649 -7.665 -4.761 1.00 0.00 C ATOM 1040 CG ARG A 115 1.270 -9.035 -4.542 1.00 0.00 C ATOM 1041 CD ARG A 115 0.364 -10.147 -5.049 1.00 0.00 C ATOM 1042 NE ARG A 115 0.030 -11.103 -3.996 1.00 0.00 N ATOM 1043 CZ ARG A 115 -0.907 -10.893 -3.073 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -1.603 -9.763 -3.070 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -1.148 -11.815 -2.152 1.00 0.00 N ATOM 0 H ARG A 115 0.380 -4.866 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 115 2.337 -6.761 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.184 -7.538 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.237 -7.619 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.231 -9.086 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.467 -9.181 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.553 -9.714 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.855 -10.669 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 115 0.545 -11.983 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.421 -9.050 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.319 -9.607 -2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.616 -12.685 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.866 -11.654 -1.445 1.00 0.00 H new ATOM 1059 N ARG A 116 2.808 -5.037 -6.105 1.00 0.00 N ATOM 1060 CA ARG A 116 3.569 -4.693 -7.301 1.00 0.00 C ATOM 1061 C ARG A 116 5.068 -4.795 -7.043 1.00 0.00 C ATOM 1062 O ARG A 116 5.788 -5.488 -7.761 1.00 0.00 O ATOM 1063 CB ARG A 116 3.216 -3.280 -7.768 1.00 0.00 C ATOM 1064 CG ARG A 116 3.337 -3.088 -9.273 1.00 0.00 C ATOM 1065 CD ARG A 116 4.373 -2.031 -9.620 1.00 0.00 C ATOM 1066 NE ARG A 116 5.151 -2.394 -10.804 1.00 0.00 N ATOM 1067 CZ ARG A 116 6.292 -1.803 -11.150 1.00 0.00 C ATOM 1068 NH1 ARG A 116 6.793 -0.821 -10.409 1.00 0.00 N ATOM 1069 NH2 ARG A 116 6.935 -2.195 -12.241 1.00 0.00 N ATOM 0 H ARG A 116 2.605 -4.247 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 116 3.305 -5.404 -8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.196 -3.049 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.869 -2.566 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.611 -4.034 -9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.369 -2.798 -9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.874 -1.077 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 116 5.045 -1.891 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 116 4.799 -3.144 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 116 6.303 -0.515 -9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 116 7.668 -0.373 -10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 116 6.555 -2.949 -12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 116 7.810 -1.743 -12.508 1.00 0.00 H new ATOM 1083 N ARG A 117 5.526 -4.099 -6.012 1.00 0.00 N ATOM 1084 CA ARG A 117 6.939 -4.104 -5.650 1.00 0.00 C ATOM 1085 C ARG A 117 7.161 -4.814 -4.319 1.00 0.00 C ATOM 1086 O ARG A 117 8.187 -5.464 -4.114 1.00 0.00 O ATOM 1087 CB ARG A 117 7.470 -2.671 -5.574 1.00 0.00 C ATOM 1088 CG ARG A 117 8.835 -2.491 -6.220 1.00 0.00 C ATOM 1089 CD ARG A 117 9.368 -1.081 -6.019 1.00 0.00 C ATOM 1090 NE ARG A 117 8.622 -0.097 -6.802 1.00 0.00 N ATOM 1091 CZ ARG A 117 7.526 0.524 -6.368 1.00 0.00 C ATOM 1092 NH1 ARG A 117 7.037 0.267 -5.161 1.00 0.00 N ATOM 1093 NH2 ARG A 117 6.914 1.406 -7.148 1.00 0.00 N ATOM 0 H ARG A 117 4.939 -3.522 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 117 7.484 -4.647 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.758 -2.003 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.530 -2.370 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.536 -3.210 -5.796 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.765 -2.705 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.314 -0.820 -4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.420 -1.047 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 117 8.961 0.128 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.501 -0.411 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.197 0.748 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.283 1.607 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.075 1.883 -6.818 1.00 0.00 H new ATOM 1107 N LEU A 118 6.194 -4.685 -3.416 1.00 0.00 N ATOM 1108 CA LEU A 118 6.284 -5.313 -2.103 1.00 0.00 C ATOM 1109 C LEU A 118 6.436 -6.826 -2.231 1.00 0.00 C ATOM 1110 O LEU A 118 7.177 -7.451 -1.473 1.00 0.00 O ATOM 1111 CB LEU A 118 5.044 -4.981 -1.270 1.00 0.00 C ATOM 1112 CG LEU A 118 5.311 -4.729 0.214 1.00 0.00 C ATOM 1113 CD1 LEU A 118 6.143 -3.471 0.401 1.00 0.00 C ATOM 1114 CD2 LEU A 118 4.000 -4.622 0.980 1.00 0.00 C ATOM 0 H LEU A 118 5.339 -4.151 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 118 7.167 -4.920 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.567 -4.097 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.333 -5.802 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 118 5.874 -5.574 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.323 -3.308 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.096 -3.585 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.607 -2.616 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.208 -4.443 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.412 -3.796 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.440 -5.551 0.874 1.00 0.00 H new ATOM 1126 N ALA A 119 5.728 -7.406 -3.194 1.00 0.00 N ATOM 1127 CA ALA A 119 5.785 -8.845 -3.420 1.00 0.00 C ATOM 1128 C ALA A 119 7.202 -9.293 -3.762 1.00 0.00 C ATOM 1129 O ALA A 119 7.601 -10.416 -3.453 1.00 0.00 O ATOM 1130 CB ALA A 119 4.821 -9.244 -4.528 1.00 0.00 C ATOM 0 H ALA A 119 5.109 -6.903 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 119 5.488 -9.344 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.874 -10.321 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.805 -8.969 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.092 -8.728 -5.449 1.00 0.00 H new