USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 82 SER OG : rot -147:sc= 2.37 USER MOD Set 1.2: A 104 THR OG1 : rot 89:sc= 1.2 USER MOD Set 2.1: A 28 SER OG : rot 53:sc= 1.18 USER MOD Set 2.2: A 64 THR OG1 : rot 68:sc= 1.43 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0389) USER MOD Single : A 11 GLN : amide:sc= 0.606 K(o=0.61,f=-4.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.15) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.0632 X(o=0.063,f=-0.16) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 138:sc= 0.89 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= 0.371 (180deg=-0.488) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc=-0.000508 (180deg=-0.108) USER MOD Single : A 52 SER OG : rot -59:sc= 1.15 USER MOD Single : A 53 SER OG : rot 121:sc= 0.137 USER MOD Single : A 55 SER OG : rot 55:sc= 1.12 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.057 USER MOD Single : A 57 MET CE :methyl -149:sc= -0.233 (180deg=-1.43) USER MOD Single : A 59 SER OG : rot 81:sc= 1.09 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.495 K(o=-0.5,f=-6.2!) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.13) USER MOD Single : A 83 SER OG : rot 13:sc= 0.694 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 96 HIS : no HE2:sc= 0.999 K(o=1,f=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.068 -10.655 4.463 1.00 0.00 N ATOM 61 CA LYS A 5 -0.383 -10.788 4.487 1.00 0.00 C ATOM 62 C LYS A 5 -1.035 -9.507 4.907 1.00 0.00 C ATOM 63 O LYS A 5 -0.461 -8.726 5.649 1.00 0.00 O ATOM 64 CB LYS A 5 -0.789 -11.976 5.368 1.00 0.00 C ATOM 65 CG LYS A 5 -0.888 -11.800 6.893 1.00 0.00 C ATOM 66 CD LYS A 5 -2.267 -11.282 7.336 1.00 0.00 C ATOM 67 CE LYS A 5 -2.582 -11.505 8.814 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.738 -12.926 9.193 1.00 0.00 N ATOM 0 HA LYS A 5 -0.739 -10.995 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.761 -12.323 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.076 -12.779 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.688 -12.755 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.118 -11.105 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.326 -10.215 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.035 -11.771 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.785 -11.066 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.499 -10.971 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.065 -12.989 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.435 -13.378 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.823 -13.412 9.101 1.00 0.00 H new ATOM 78 N LEU A 6 -2.244 -9.279 4.438 1.00 0.00 N ATOM 79 CA LEU A 6 -2.990 -8.087 4.721 1.00 0.00 C ATOM 80 C LEU A 6 -3.929 -8.389 5.876 1.00 0.00 C ATOM 81 O LEU A 6 -4.566 -9.442 5.893 1.00 0.00 O ATOM 82 CB LEU A 6 -3.727 -7.608 3.493 1.00 0.00 C ATOM 83 CG LEU A 6 -2.845 -7.391 2.265 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.676 -6.883 1.109 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.598 -6.540 2.500 1.00 0.00 C ATOM 0 H LEU A 6 -2.740 -9.937 3.837 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.322 -7.274 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.501 -8.334 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.232 -6.672 3.731 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.439 -8.371 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.036 -6.732 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.449 -7.613 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.143 -5.937 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.041 -6.446 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.893 -5.550 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.969 -7.016 3.252 1.00 0.00 H new ATOM 96 N ASP A 7 -3.982 -7.493 6.850 1.00 0.00 N ATOM 97 CA ASP A 7 -4.626 -7.702 8.152 1.00 0.00 C ATOM 98 C ASP A 7 -6.025 -7.104 8.192 1.00 0.00 C ATOM 99 O ASP A 7 -6.784 -7.379 9.122 1.00 0.00 O ATOM 100 CB ASP A 7 -3.798 -6.976 9.214 1.00 0.00 C ATOM 101 CG ASP A 7 -3.595 -7.820 10.476 1.00 0.00 C ATOM 102 OD1 ASP A 7 -3.084 -8.963 10.391 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.936 -7.303 11.568 1.00 0.00 O ATOM 0 H ASP A 7 -3.566 -6.566 6.759 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.691 -8.776 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.826 -6.713 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.293 -6.042 9.481 1.00 0.00 H new ATOM 107 N ILE A 8 -6.263 -6.233 7.214 1.00 0.00 N ATOM 108 CA ILE A 8 -7.480 -5.583 6.754 1.00 0.00 C ATOM 109 C ILE A 8 -8.497 -5.226 7.867 1.00 0.00 C ATOM 110 O ILE A 8 -9.088 -6.038 8.546 1.00 0.00 O ATOM 111 CB ILE A 8 -8.037 -6.388 5.569 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.075 -6.358 4.350 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.365 -5.749 5.139 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.565 -7.245 3.204 1.00 0.00 C ATOM 0 H ILE A 8 -5.479 -5.923 6.640 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.234 -4.583 6.398 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.163 -7.423 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.973 -5.332 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.084 -6.687 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.780 -6.304 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.067 -5.774 5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.192 -4.715 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.860 -7.191 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.641 -8.276 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.544 -6.901 2.870 1.00 0.00 H new ATOM 125 N VAL A 9 -8.743 -3.913 7.952 1.00 0.00 N ATOM 126 CA VAL A 9 -9.543 -3.227 8.930 1.00 0.00 C ATOM 127 C VAL A 9 -10.391 -2.222 8.157 1.00 0.00 C ATOM 128 O VAL A 9 -9.983 -1.086 7.931 1.00 0.00 O ATOM 129 CB VAL A 9 -8.623 -2.610 10.020 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.440 -1.917 11.111 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.702 -3.664 10.647 1.00 0.00 C ATOM 0 H VAL A 9 -8.346 -3.263 7.273 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.216 -3.884 9.481 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.002 -1.865 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.767 -1.496 11.858 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.035 -1.119 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.101 -2.642 11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.074 -3.194 11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.305 -4.445 11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.071 -4.102 9.874 1.00 0.00 H new ATOM 141 N GLU A 10 -11.539 -2.663 7.644 1.00 0.00 N ATOM 142 CA GLU A 10 -12.470 -1.744 7.019 1.00 0.00 C ATOM 143 C GLU A 10 -12.976 -0.816 8.120 1.00 0.00 C ATOM 144 O GLU A 10 -13.587 -1.264 9.088 1.00 0.00 O ATOM 145 CB GLU A 10 -13.577 -2.463 6.233 1.00 0.00 C ATOM 146 CG GLU A 10 -13.022 -2.977 4.888 1.00 0.00 C ATOM 147 CD GLU A 10 -14.068 -3.295 3.806 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.207 -2.776 3.848 1.00 0.00 O ATOM 149 OE2 GLU A 10 -13.660 -3.942 2.810 1.00 0.00 O ATOM 0 H GLU A 10 -11.838 -3.638 7.651 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.977 -1.150 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.966 -3.297 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.409 -1.782 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.334 -2.230 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.439 -3.878 5.078 1.00 0.00 H new ATOM 154 N GLN A 11 -12.611 0.464 8.040 1.00 0.00 N ATOM 155 CA GLN A 11 -12.978 1.495 8.997 1.00 0.00 C ATOM 156 C GLN A 11 -14.417 1.924 8.656 1.00 0.00 C ATOM 157 O GLN A 11 -15.229 1.119 8.194 1.00 0.00 O ATOM 158 CB GLN A 11 -11.930 2.625 8.940 1.00 0.00 C ATOM 159 CG GLN A 11 -11.500 3.279 10.269 1.00 0.00 C ATOM 160 CD GLN A 11 -12.451 4.328 10.837 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.079 5.063 10.084 1.00 0.00 O ATOM 162 NE2 GLN A 11 -12.569 4.432 12.150 1.00 0.00 N ATOM 0 H GLN A 11 -12.032 0.818 7.279 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.975 1.154 10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.036 2.228 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.320 3.410 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.372 2.493 11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.524 3.743 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.038 3.811 12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.191 5.133 12.552 1.00 0.00 H new ATOM 169 N ASP A 12 -14.770 3.185 8.872 1.00 0.00 N ATOM 170 CA ASP A 12 -16.098 3.719 8.610 1.00 0.00 C ATOM 171 C ASP A 12 -16.349 3.763 7.107 1.00 0.00 C ATOM 172 O ASP A 12 -17.278 3.124 6.614 1.00 0.00 O ATOM 173 CB ASP A 12 -16.230 5.123 9.219 1.00 0.00 C ATOM 174 CG ASP A 12 -16.496 5.119 10.721 1.00 0.00 C ATOM 175 OD1 ASP A 12 -16.939 4.077 11.265 1.00 0.00 O ATOM 176 OD2 ASP A 12 -16.266 6.175 11.356 1.00 0.00 O ATOM 0 H ASP A 12 -14.124 3.881 9.244 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.843 3.071 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.315 5.682 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.040 5.652 8.717 1.00 0.00 H new ATOM 180 N ASP A 13 -15.522 4.511 6.373 1.00 0.00 N ATOM 181 CA ASP A 13 -15.689 4.757 4.926 1.00 0.00 C ATOM 182 C ASP A 13 -14.342 4.716 4.188 1.00 0.00 C ATOM 183 O ASP A 13 -14.242 4.915 2.970 1.00 0.00 O ATOM 184 CB ASP A 13 -16.423 6.090 4.698 1.00 0.00 C ATOM 185 CG ASP A 13 -17.524 6.029 3.630 1.00 0.00 C ATOM 186 OD1 ASP A 13 -17.611 5.072 2.822 1.00 0.00 O ATOM 187 OD2 ASP A 13 -18.358 6.964 3.635 1.00 0.00 O ATOM 0 H ASP A 13 -14.702 4.973 6.767 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.299 3.956 4.508 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.864 6.414 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.695 6.848 4.410 1.00 0.00 H new ATOM 191 N LYS A 14 -13.286 4.405 4.938 1.00 0.00 N ATOM 192 CA LYS A 14 -11.886 4.251 4.583 1.00 0.00 C ATOM 193 C LYS A 14 -11.513 2.810 4.942 1.00 0.00 C ATOM 194 O LYS A 14 -12.057 2.261 5.901 1.00 0.00 O ATOM 195 CB LYS A 14 -11.079 5.340 5.328 1.00 0.00 C ATOM 196 CG LYS A 14 -11.207 5.286 6.865 1.00 0.00 C ATOM 197 CD LYS A 14 -11.006 6.618 7.594 1.00 0.00 C ATOM 198 CE LYS A 14 -9.543 7.020 7.629 1.00 0.00 C ATOM 199 NZ LYS A 14 -9.316 8.335 8.258 1.00 0.00 N ATOM 0 H LYS A 14 -13.415 4.235 5.935 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.667 4.395 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.027 5.244 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.408 6.320 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.195 4.901 7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.479 4.570 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.586 7.396 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.386 6.537 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.978 6.262 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.154 7.039 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.299 8.552 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.830 9.067 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.659 8.314 9.240 1.00 0.00 H new ATOM 209 N ALA A 15 -10.710 2.151 4.120 1.00 0.00 N ATOM 210 CA ALA A 15 -10.317 0.749 4.277 1.00 0.00 C ATOM 211 C ALA A 15 -8.862 0.710 4.705 1.00 0.00 C ATOM 212 O ALA A 15 -7.993 1.060 3.905 1.00 0.00 O ATOM 213 CB ALA A 15 -10.526 -0.017 2.964 1.00 0.00 C ATOM 0 H ALA A 15 -10.297 2.588 3.296 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.935 0.267 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.229 -1.057 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.578 0.026 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.920 0.435 2.179 1.00 0.00 H new ATOM 219 N ILE A 16 -8.586 0.324 5.950 1.00 0.00 N ATOM 220 CA ILE A 16 -7.215 0.183 6.401 1.00 0.00 C ATOM 221 C ILE A 16 -6.756 -1.212 5.985 1.00 0.00 C ATOM 222 O ILE A 16 -7.164 -2.217 6.554 1.00 0.00 O ATOM 223 CB ILE A 16 -7.125 0.473 7.907 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.614 1.879 8.282 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.690 0.252 8.405 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.058 1.925 9.748 1.00 0.00 C ATOM 0 H ILE A 16 -9.291 0.107 6.654 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.540 0.906 5.944 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.796 -0.229 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.817 2.603 8.115 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.444 2.165 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.640 0.461 9.474 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.397 -0.782 8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.013 0.920 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.401 2.930 9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.871 1.216 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.218 1.661 10.391 1.00 0.00 H new ATOM 237 N VAL A 17 -5.929 -1.316 4.960 1.00 0.00 N ATOM 238 CA VAL A 17 -5.130 -2.507 4.696 1.00 0.00 C ATOM 239 C VAL A 17 -3.849 -2.318 5.487 1.00 0.00 C ATOM 240 O VAL A 17 -2.891 -1.683 5.050 1.00 0.00 O ATOM 241 CB VAL A 17 -4.882 -2.658 3.183 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.118 -3.960 2.882 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.187 -2.653 2.374 1.00 0.00 C ATOM 0 H VAL A 17 -5.789 -0.570 4.278 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.629 -3.427 5.001 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.286 -1.796 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.954 -4.046 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.157 -3.945 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.701 -4.813 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.958 -2.762 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.818 -3.481 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.712 -1.712 2.537 1.00 0.00 H new ATOM 253 N ARG A 18 -3.823 -2.905 6.679 1.00 0.00 N ATOM 254 CA ARG A 18 -2.526 -3.124 7.304 1.00 0.00 C ATOM 255 C ARG A 18 -1.825 -4.182 6.476 1.00 0.00 C ATOM 256 O ARG A 18 -2.407 -5.241 6.232 1.00 0.00 O ATOM 257 CB ARG A 18 -2.550 -3.511 8.788 1.00 0.00 C ATOM 258 CG ARG A 18 -3.778 -3.005 9.535 1.00 0.00 C ATOM 259 CD ARG A 18 -3.611 -3.040 11.049 1.00 0.00 C ATOM 260 NE ARG A 18 -3.171 -4.337 11.599 1.00 0.00 N ATOM 261 CZ ARG A 18 -2.525 -4.541 12.760 1.00 0.00 C ATOM 262 NH1 ARG A 18 -2.247 -3.542 13.595 1.00 0.00 N ATOM 263 NH2 ARG A 18 -2.185 -5.780 13.075 1.00 0.00 N ATOM 0 H ARG A 18 -4.636 -3.222 7.207 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.997 -2.171 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.507 -4.597 8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.655 -3.119 9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.991 -1.983 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.641 -3.610 9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.889 -2.276 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.561 -2.770 11.510 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.379 -5.165 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.526 -2.589 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.755 -3.729 14.469 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.414 -6.548 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.694 -5.968 13.949 1.00 0.00 H new ATOM 274 N VAL A 19 -0.632 -3.887 5.992 1.00 0.00 N ATOM 275 CA VAL A 19 0.211 -4.878 5.348 1.00 0.00 C ATOM 276 C VAL A 19 0.999 -5.566 6.459 1.00 0.00 C ATOM 277 O VAL A 19 1.397 -4.925 7.431 1.00 0.00 O ATOM 278 CB VAL A 19 1.144 -4.115 4.385 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.228 -4.985 3.722 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.362 -3.422 3.268 1.00 0.00 C ATOM 0 H VAL A 19 -0.221 -2.955 6.034 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.346 -5.626 4.784 1.00 0.00 H new ATOM 0 HB VAL A 19 1.638 -3.387 5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.837 -4.367 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.861 -5.427 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.754 -5.777 3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.055 -2.896 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.188 -4.167 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.338 -2.709 3.703 1.00 0.00 H new ATOM 290 N GLN A 20 1.311 -6.841 6.271 1.00 0.00 N ATOM 291 CA GLN A 20 2.443 -7.506 6.896 1.00 0.00 C ATOM 292 C GLN A 20 3.419 -7.863 5.785 1.00 0.00 C ATOM 293 O GLN A 20 2.984 -8.045 4.649 1.00 0.00 O ATOM 294 CB GLN A 20 1.992 -8.739 7.705 1.00 0.00 C ATOM 295 CG GLN A 20 1.063 -8.262 8.839 1.00 0.00 C ATOM 296 CD GLN A 20 1.000 -9.206 10.037 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.030 -9.595 10.578 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.177 -9.511 10.567 1.00 0.00 N ATOM 0 H GLN A 20 0.769 -7.456 5.664 1.00 0.00 H new ATOM 0 HA GLN A 20 2.931 -6.851 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.471 -9.446 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.857 -9.260 8.116 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.398 -7.283 9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.057 -8.133 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.036 -9.190 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.223 -10.067 11.421 1.00 0.00 H new ATOM 305 N GLY A 21 4.703 -7.985 6.126 1.00 0.00 N ATOM 306 CA GLY A 21 5.771 -8.444 5.257 1.00 0.00 C ATOM 307 C GLY A 21 6.362 -7.314 4.420 1.00 0.00 C ATOM 308 O GLY A 21 5.698 -6.339 4.084 1.00 0.00 O ATOM 0 H GLY A 21 5.035 -7.754 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.558 -8.896 5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.389 -9.222 4.596 1.00 0.00 H new ATOM 312 N ASP A 22 7.642 -7.465 4.110 1.00 0.00 N ATOM 313 CA ASP A 22 8.446 -6.739 3.140 1.00 0.00 C ATOM 314 C ASP A 22 7.858 -6.762 1.729 1.00 0.00 C ATOM 315 O ASP A 22 6.854 -7.395 1.431 1.00 0.00 O ATOM 316 CB ASP A 22 9.886 -7.282 3.144 1.00 0.00 C ATOM 317 CG ASP A 22 10.134 -8.647 2.477 1.00 0.00 C ATOM 318 OD1 ASP A 22 9.275 -9.554 2.528 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.296 -8.873 2.063 1.00 0.00 O ATOM 0 H ASP A 22 8.201 -8.175 4.583 1.00 0.00 H new ATOM 0 HA ASP A 22 8.448 -5.693 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.524 -6.547 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.217 -7.349 4.180 1.00 0.00 H new ATOM 323 N ILE A 23 8.468 -6.021 0.821 1.00 0.00 N ATOM 324 CA ILE A 23 7.997 -5.799 -0.527 1.00 0.00 C ATOM 325 C ILE A 23 9.128 -5.910 -1.562 1.00 0.00 C ATOM 326 O ILE A 23 10.063 -5.113 -1.600 1.00 0.00 O ATOM 327 CB ILE A 23 7.216 -4.470 -0.527 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.679 -4.226 -1.927 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.035 -3.243 -0.157 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.555 -3.200 -1.929 1.00 0.00 C ATOM 0 H ILE A 23 9.345 -5.537 1.016 1.00 0.00 H new ATOM 0 HA ILE A 23 7.312 -6.584 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 23 6.442 -4.588 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.487 -3.881 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.316 -5.164 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.398 -2.359 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.441 -3.366 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.853 -3.124 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.198 -3.053 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.735 -3.557 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.925 -2.254 -1.535 1.00 0.00 H new ATOM 341 N ASP A 24 9.039 -6.907 -2.433 1.00 0.00 N ATOM 342 CA ASP A 24 9.983 -7.152 -3.515 1.00 0.00 C ATOM 343 C ASP A 24 9.300 -7.898 -4.654 1.00 0.00 C ATOM 344 O ASP A 24 8.071 -7.981 -4.671 1.00 0.00 O ATOM 345 CB ASP A 24 11.190 -7.944 -3.022 1.00 0.00 C ATOM 346 CG ASP A 24 10.905 -9.319 -2.435 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.815 -9.874 -2.682 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.855 -9.834 -1.797 1.00 0.00 O ATOM 0 H ASP A 24 8.282 -7.590 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 24 10.333 -6.187 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.882 -8.065 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.703 -7.350 -2.266 1.00 0.00 H new ATOM 352 N ALA A 25 10.073 -8.397 -5.622 1.00 0.00 N ATOM 353 CA ALA A 25 9.599 -9.164 -6.757 1.00 0.00 C ATOM 354 C ALA A 25 8.792 -10.405 -6.357 1.00 0.00 C ATOM 355 O ALA A 25 7.835 -10.703 -7.065 1.00 0.00 O ATOM 356 CB ALA A 25 10.782 -9.549 -7.641 1.00 0.00 C ATOM 0 H ALA A 25 11.085 -8.268 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 25 8.910 -8.527 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.426 -10.126 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.280 -8.647 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.486 -10.150 -7.065 1.00 0.00 H new ATOM 362 N TYR A 26 9.074 -11.090 -5.240 1.00 0.00 N ATOM 363 CA TYR A 26 8.247 -12.216 -4.796 1.00 0.00 C ATOM 364 C TYR A 26 6.851 -11.748 -4.427 1.00 0.00 C ATOM 365 O TYR A 26 5.870 -12.465 -4.621 1.00 0.00 O ATOM 366 CB TYR A 26 8.819 -12.892 -3.542 1.00 0.00 C ATOM 367 CG TYR A 26 10.271 -13.315 -3.639 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.657 -14.218 -4.641 1.00 0.00 C ATOM 369 CD2 TYR A 26 11.234 -12.818 -2.745 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.995 -14.624 -4.750 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.581 -13.211 -2.856 1.00 0.00 C ATOM 372 CZ TYR A 26 12.967 -14.132 -3.855 1.00 0.00 C ATOM 373 OH TYR A 26 14.260 -14.557 -3.939 1.00 0.00 O ATOM 0 H TYR A 26 9.866 -10.884 -4.631 1.00 0.00 H new ATOM 0 HA TYR A 26 8.228 -12.917 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.713 -12.208 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.216 -13.771 -3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.921 -14.602 -5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.939 -12.130 -1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.283 -15.319 -5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.319 -12.809 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 26 14.795 -14.116 -3.247 1.00 0.00 H new ATOM 382 N ASN A 27 6.767 -10.543 -3.872 1.00 0.00 N ATOM 383 CA ASN A 27 5.561 -10.019 -3.282 1.00 0.00 C ATOM 384 C ASN A 27 4.892 -9.095 -4.305 1.00 0.00 C ATOM 385 O ASN A 27 3.767 -8.654 -4.088 1.00 0.00 O ATOM 386 CB ASN A 27 5.917 -9.320 -1.960 1.00 0.00 C ATOM 387 CG ASN A 27 6.676 -10.212 -0.952 1.00 0.00 C ATOM 388 OD1 ASN A 27 6.534 -11.435 -0.915 1.00 0.00 O ATOM 389 ND2 ASN A 27 7.449 -9.623 -0.057 1.00 0.00 N ATOM 0 H ASN A 27 7.556 -9.898 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 27 4.846 -10.804 -3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.525 -8.442 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.999 -8.964 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.921 -10.180 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.574 -8.611 -0.078 1.00 0.00 H new ATOM 395 N SER A 28 5.554 -8.824 -5.439 1.00 0.00 N ATOM 396 CA SER A 28 5.106 -7.990 -6.529 1.00 0.00 C ATOM 397 C SER A 28 3.923 -8.594 -7.284 1.00 0.00 C ATOM 398 O SER A 28 3.277 -7.861 -8.021 1.00 0.00 O ATOM 399 CB SER A 28 6.289 -7.679 -7.462 1.00 0.00 C ATOM 400 OG SER A 28 6.039 -6.629 -8.386 1.00 0.00 O ATOM 0 H SER A 28 6.479 -9.216 -5.617 1.00 0.00 H new ATOM 0 HA SER A 28 4.736 -7.055 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.156 -7.416 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.548 -8.582 -8.016 1.00 0.00 H new ATOM 0 HG SER A 28 5.729 -5.835 -7.903 1.00 0.00 H new ATOM 405 N SER A 29 3.587 -9.872 -7.086 1.00 0.00 N ATOM 406 CA SER A 29 2.287 -10.402 -7.480 1.00 0.00 C ATOM 407 C SER A 29 1.415 -10.647 -6.274 1.00 0.00 C ATOM 408 O SER A 29 0.205 -10.569 -6.414 1.00 0.00 O ATOM 409 CB SER A 29 2.431 -11.665 -8.321 1.00 0.00 C ATOM 410 OG SER A 29 3.173 -12.652 -7.641 1.00 0.00 O ATOM 0 H SER A 29 4.204 -10.559 -6.652 1.00 0.00 H new ATOM 0 HA SER A 29 1.799 -9.650 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.443 -12.055 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.922 -11.423 -9.263 1.00 0.00 H new ATOM 0 HG SER A 29 3.248 -13.451 -8.204 1.00 0.00 H new ATOM 415 N GLU A 30 1.987 -10.895 -5.098 1.00 0.00 N ATOM 416 CA GLU A 30 1.182 -11.236 -3.947 1.00 0.00 C ATOM 417 C GLU A 30 0.427 -10.006 -3.451 1.00 0.00 C ATOM 418 O GLU A 30 -0.794 -9.975 -3.529 1.00 0.00 O ATOM 419 CB GLU A 30 2.071 -11.847 -2.860 1.00 0.00 C ATOM 420 CG GLU A 30 1.359 -13.019 -2.165 1.00 0.00 C ATOM 421 CD GLU A 30 2.273 -14.226 -2.014 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.837 -14.677 -3.031 1.00 0.00 O ATOM 423 OE2 GLU A 30 2.386 -14.791 -0.903 1.00 0.00 O ATOM 0 H GLU A 30 2.992 -10.865 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 30 0.437 -11.982 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.006 -12.194 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.329 -11.085 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.011 -12.701 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.477 -13.301 -2.740 1.00 0.00 H new ATOM 428 N LEU A 31 1.121 -8.946 -3.025 1.00 0.00 N ATOM 429 CA LEU A 31 0.489 -7.698 -2.643 1.00 0.00 C ATOM 430 C LEU A 31 -0.423 -7.203 -3.761 1.00 0.00 C ATOM 431 O LEU A 31 -1.554 -6.793 -3.510 1.00 0.00 O ATOM 432 CB LEU A 31 1.575 -6.659 -2.333 1.00 0.00 C ATOM 433 CG LEU A 31 0.972 -5.309 -1.919 1.00 0.00 C ATOM 434 CD1 LEU A 31 0.160 -5.492 -0.639 1.00 0.00 C ATOM 435 CD2 LEU A 31 2.078 -4.278 -1.693 1.00 0.00 C ATOM 0 H LEU A 31 2.137 -8.938 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.122 -7.856 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.216 -7.031 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.207 -6.521 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 31 0.322 -4.948 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.270 -4.536 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.640 -6.211 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.810 -5.860 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.634 -3.327 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.744 -4.626 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.646 -4.145 -2.614 1.00 0.00 H new ATOM 446 N LYS A 32 0.073 -7.272 -4.996 1.00 0.00 N ATOM 447 CA LYS A 32 -0.672 -6.875 -6.173 1.00 0.00 C ATOM 448 C LYS A 32 -2.011 -7.611 -6.243 1.00 0.00 C ATOM 449 O LYS A 32 -3.045 -6.958 -6.376 1.00 0.00 O ATOM 450 CB LYS A 32 0.192 -7.140 -7.421 1.00 0.00 C ATOM 451 CG LYS A 32 -0.342 -6.323 -8.607 1.00 0.00 C ATOM 452 CD LYS A 32 -0.071 -6.914 -9.998 1.00 0.00 C ATOM 453 CE LYS A 32 1.422 -6.992 -10.326 1.00 0.00 C ATOM 454 NZ LYS A 32 1.686 -7.565 -11.660 1.00 0.00 N ATOM 0 H LYS A 32 1.013 -7.610 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.901 -5.811 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.229 -6.871 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.179 -8.202 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.419 -6.203 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.096 -5.326 -8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.504 -7.913 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.573 -6.306 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.853 -5.992 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.924 -7.596 -9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.712 -7.594 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.300 -8.530 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.232 -6.976 -12.387 1.00 0.00 H new ATOM 464 N GLU A 33 -2.005 -8.943 -6.156 1.00 0.00 N ATOM 465 CA GLU A 33 -3.195 -9.767 -6.329 1.00 0.00 C ATOM 466 C GLU A 33 -4.137 -9.529 -5.154 1.00 0.00 C ATOM 467 O GLU A 33 -5.346 -9.380 -5.339 1.00 0.00 O ATOM 468 CB GLU A 33 -2.859 -11.256 -6.565 1.00 0.00 C ATOM 469 CG GLU A 33 -2.606 -12.112 -5.326 1.00 0.00 C ATOM 470 CD GLU A 33 -2.478 -13.617 -5.597 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.411 -14.056 -6.764 1.00 0.00 O ATOM 472 OE2 GLU A 33 -2.447 -14.385 -4.603 1.00 0.00 O ATOM 0 H GLU A 33 -1.162 -9.483 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.710 -9.466 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.680 -11.704 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.974 -11.308 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.692 -11.765 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.420 -11.953 -4.619 1.00 0.00 H new ATOM 477 N GLN A 34 -3.571 -9.431 -3.948 1.00 0.00 N ATOM 478 CA GLN A 34 -4.315 -9.219 -2.714 1.00 0.00 C ATOM 479 C GLN A 34 -5.103 -7.922 -2.822 1.00 0.00 C ATOM 480 O GLN A 34 -6.225 -7.863 -2.330 1.00 0.00 O ATOM 481 CB GLN A 34 -3.368 -9.182 -1.499 1.00 0.00 C ATOM 482 CG GLN A 34 -2.667 -10.522 -1.252 1.00 0.00 C ATOM 483 CD GLN A 34 -3.397 -11.432 -0.273 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.499 -11.154 0.183 1.00 0.00 O ATOM 485 NE2 GLN A 34 -2.804 -12.540 0.125 1.00 0.00 N ATOM 0 H GLN A 34 -2.563 -9.499 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.005 -10.050 -2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.617 -8.407 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.935 -8.904 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.556 -11.043 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.663 -10.331 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.886 -12.788 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.263 -13.149 0.802 1.00 0.00 H new ATOM 492 N LEU A 35 -4.558 -6.905 -3.493 1.00 0.00 N ATOM 493 CA LEU A 35 -5.191 -5.605 -3.590 1.00 0.00 C ATOM 494 C LEU A 35 -6.136 -5.542 -4.759 1.00 0.00 C ATOM 495 O LEU A 35 -7.218 -5.048 -4.527 1.00 0.00 O ATOM 496 CB LEU A 35 -4.180 -4.485 -3.746 1.00 0.00 C ATOM 497 CG LEU A 35 -3.354 -4.193 -2.485 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.237 -3.196 -2.798 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.231 -3.628 -1.354 1.00 0.00 C ATOM 0 H LEU A 35 -3.665 -6.968 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.737 -5.471 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.500 -4.737 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.706 -3.576 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.923 -5.138 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.661 -3.000 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.581 -3.612 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.672 -2.265 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.613 -3.433 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.696 -2.699 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.006 -4.351 -1.099 1.00 0.00 H new ATOM 510 N ARG A 36 -5.827 -5.989 -5.985 1.00 0.00 N ATOM 511 CA ARG A 36 -6.836 -5.958 -7.050 1.00 0.00 C ATOM 512 C ARG A 36 -8.089 -6.729 -6.633 1.00 0.00 C ATOM 513 O ARG A 36 -9.205 -6.302 -6.932 1.00 0.00 O ATOM 514 CB ARG A 36 -6.288 -6.453 -8.401 1.00 0.00 C ATOM 515 CG ARG A 36 -5.684 -7.870 -8.413 1.00 0.00 C ATOM 516 CD ARG A 36 -5.413 -8.374 -9.843 1.00 0.00 C ATOM 517 NE ARG A 36 -5.204 -9.835 -9.915 1.00 0.00 N ATOM 518 CZ ARG A 36 -4.725 -10.524 -10.963 1.00 0.00 C ATOM 519 NH1 ARG A 36 -4.159 -9.914 -12.002 1.00 0.00 N ATOM 520 NH2 ARG A 36 -4.817 -11.848 -10.954 1.00 0.00 N ATOM 0 H ARG A 36 -4.918 -6.364 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.112 -4.914 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.096 -6.419 -9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.524 -5.752 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.753 -7.871 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.364 -8.557 -7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.253 -8.102 -10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.533 -7.868 -10.239 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.448 -10.375 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.080 -8.897 -12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.804 -10.463 -12.784 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.246 -12.324 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.459 -12.389 -11.741 1.00 0.00 H new ATOM 531 N ASN A 37 -7.902 -7.819 -5.888 1.00 0.00 N ATOM 532 CA ASN A 37 -8.968 -8.695 -5.460 1.00 0.00 C ATOM 533 C ASN A 37 -9.707 -8.095 -4.266 1.00 0.00 C ATOM 534 O ASN A 37 -10.932 -8.185 -4.196 1.00 0.00 O ATOM 535 CB ASN A 37 -8.391 -10.087 -5.159 1.00 0.00 C ATOM 536 CG ASN A 37 -9.494 -11.052 -4.757 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.377 -11.341 -5.568 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.471 -11.545 -3.537 1.00 0.00 N ATOM 0 H ASN A 37 -6.981 -8.115 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.704 -8.804 -6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.871 -10.468 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.655 -10.015 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.201 -12.190 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.724 -11.282 -2.895 1.00 0.00 H new ATOM 544 N PHE A 38 -8.993 -7.439 -3.348 1.00 0.00 N ATOM 545 CA PHE A 38 -9.574 -6.744 -2.221 1.00 0.00 C ATOM 546 C PHE A 38 -10.295 -5.500 -2.685 1.00 0.00 C ATOM 547 O PHE A 38 -11.437 -5.316 -2.296 1.00 0.00 O ATOM 548 CB PHE A 38 -8.524 -6.365 -1.181 1.00 0.00 C ATOM 549 CG PHE A 38 -8.992 -5.378 -0.135 1.00 0.00 C ATOM 550 CD1 PHE A 38 -9.901 -5.786 0.855 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.535 -4.046 -0.171 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.315 -4.873 1.837 1.00 0.00 C ATOM 553 CE2 PHE A 38 -8.969 -3.132 0.800 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.840 -3.555 1.818 1.00 0.00 C ATOM 0 H PHE A 38 -7.975 -7.381 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.282 -7.427 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.187 -7.272 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.659 -5.945 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.279 -6.797 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.852 -3.729 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.001 -5.187 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.635 -2.106 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.144 -2.862 2.588 1.00 0.00 H new ATOM 563 N ILE A 39 -9.662 -4.655 -3.501 1.00 0.00 N ATOM 564 CA ILE A 39 -10.296 -3.477 -4.083 1.00 0.00 C ATOM 565 C ILE A 39 -11.642 -3.825 -4.719 1.00 0.00 C ATOM 566 O ILE A 39 -12.593 -3.069 -4.524 1.00 0.00 O ATOM 567 CB ILE A 39 -9.308 -2.808 -5.054 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.355 -1.939 -4.205 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.957 -1.984 -6.171 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.076 -1.536 -4.929 1.00 0.00 C ATOM 0 H ILE A 39 -8.687 -4.773 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.533 -2.754 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.777 -3.596 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.883 -1.038 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.091 -2.485 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.181 -1.553 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.598 -2.628 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.554 -1.184 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.460 -0.928 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.524 -2.431 -5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.328 -0.961 -5.820 1.00 0.00 H new ATOM 581 N SER A 40 -11.734 -4.948 -5.440 1.00 0.00 N ATOM 582 CA SER A 40 -12.987 -5.366 -6.050 1.00 0.00 C ATOM 583 C SER A 40 -14.080 -5.560 -4.990 1.00 0.00 C ATOM 584 O SER A 40 -15.234 -5.197 -5.228 1.00 0.00 O ATOM 585 CB SER A 40 -12.752 -6.620 -6.907 1.00 0.00 C ATOM 586 OG SER A 40 -13.761 -6.704 -7.895 1.00 0.00 O ATOM 0 H SER A 40 -10.951 -5.579 -5.612 1.00 0.00 H new ATOM 0 HA SER A 40 -13.349 -4.580 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.769 -6.575 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.765 -7.511 -6.280 1.00 0.00 H new ATOM 0 HG SER A 40 -13.614 -7.501 -8.445 1.00 0.00 H new ATOM 591 N THR A 41 -13.746 -6.090 -3.814 1.00 0.00 N ATOM 592 CA THR A 41 -14.640 -6.171 -2.678 1.00 0.00 C ATOM 593 C THR A 41 -14.884 -4.800 -2.056 1.00 0.00 C ATOM 594 O THR A 41 -16.046 -4.424 -1.873 1.00 0.00 O ATOM 595 CB THR A 41 -14.069 -7.194 -1.695 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.285 -8.457 -2.285 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.741 -7.123 -0.316 1.00 0.00 C ATOM 0 H THR A 41 -12.823 -6.482 -3.629 1.00 0.00 H new ATOM 0 HA THR A 41 -15.626 -6.511 -2.994 1.00 0.00 H new ATOM 0 HB THR A 41 -13.012 -6.996 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.935 -9.157 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.299 -7.870 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.594 -6.130 0.110 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.808 -7.318 -0.421 1.00 0.00 H new ATOM 605 N THR A 42 -13.818 -4.126 -1.622 1.00 0.00 N ATOM 606 CA THR A 42 -13.876 -3.283 -0.445 1.00 0.00 C ATOM 607 C THR A 42 -14.922 -2.191 -0.599 1.00 0.00 C ATOM 608 O THR A 42 -14.871 -1.351 -1.494 1.00 0.00 O ATOM 609 CB THR A 42 -12.479 -2.777 -0.082 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.524 -2.186 1.200 1.00 0.00 O ATOM 611 CG2 THR A 42 -11.893 -1.784 -1.083 1.00 0.00 C ATOM 0 H THR A 42 -12.905 -4.153 -2.075 1.00 0.00 H new ATOM 0 HA THR A 42 -14.211 -3.873 0.408 1.00 0.00 H new ATOM 0 HB THR A 42 -11.819 -3.644 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.730 -2.450 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.902 -1.475 -0.751 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.817 -2.257 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.541 -0.910 -1.151 1.00 0.00 H new ATOM 619 N SER A 43 -15.909 -2.221 0.281 1.00 0.00 N ATOM 620 CA SER A 43 -16.980 -1.251 0.324 1.00 0.00 C ATOM 621 C SER A 43 -16.454 0.173 0.554 1.00 0.00 C ATOM 622 O SER A 43 -16.992 1.139 0.005 1.00 0.00 O ATOM 623 CB SER A 43 -17.877 -1.742 1.452 1.00 0.00 C ATOM 624 OG SER A 43 -18.647 -2.825 0.972 1.00 0.00 O ATOM 0 H SER A 43 -15.986 -2.940 1.001 1.00 0.00 H new ATOM 0 HA SER A 43 -17.522 -1.179 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.276 -2.054 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.527 -0.938 1.796 1.00 0.00 H new ATOM 0 HG SER A 43 -19.230 -3.155 1.688 1.00 0.00 H new ATOM 629 N LYS A 44 -15.356 0.312 1.297 1.00 0.00 N ATOM 630 CA LYS A 44 -14.778 1.598 1.679 1.00 0.00 C ATOM 631 C LYS A 44 -13.990 2.151 0.503 1.00 0.00 C ATOM 632 O LYS A 44 -13.599 1.406 -0.390 1.00 0.00 O ATOM 633 CB LYS A 44 -13.835 1.377 2.865 1.00 0.00 C ATOM 634 CG LYS A 44 -14.387 0.515 4.011 1.00 0.00 C ATOM 635 CD LYS A 44 -15.665 1.082 4.636 1.00 0.00 C ATOM 636 CE LYS A 44 -16.353 0.136 5.625 1.00 0.00 C ATOM 637 NZ LYS A 44 -16.977 -1.041 4.985 1.00 0.00 N ATOM 0 H LYS A 44 -14.833 -0.486 1.658 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.564 2.301 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.921 0.913 2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.558 2.350 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.589 -0.489 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.624 0.420 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.423 2.013 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.367 1.330 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.621 -0.205 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.117 0.689 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.423 -1.636 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.699 -0.725 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.249 -1.591 4.486 1.00 0.00 H new ATOM 647 N LYS A 45 -13.727 3.458 0.498 1.00 0.00 N ATOM 648 CA LYS A 45 -13.052 4.097 -0.625 1.00 0.00 C ATOM 649 C LYS A 45 -11.625 4.450 -0.294 1.00 0.00 C ATOM 650 O LYS A 45 -10.785 4.317 -1.172 1.00 0.00 O ATOM 651 CB LYS A 45 -13.836 5.319 -1.110 1.00 0.00 C ATOM 652 CG LYS A 45 -15.127 4.843 -1.780 1.00 0.00 C ATOM 653 CD LYS A 45 -16.032 5.991 -2.249 1.00 0.00 C ATOM 654 CE LYS A 45 -16.128 6.113 -3.776 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.616 4.869 -4.410 1.00 0.00 N ATOM 0 H LYS A 45 -13.972 4.092 1.259 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.018 3.376 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.066 5.977 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.237 5.897 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.874 4.218 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.681 4.217 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.032 5.844 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.656 6.929 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.797 6.935 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.147 6.364 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.840 4.421 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.957 4.216 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.395 5.094 -5.062 1.00 0.00 H new ATOM 665 N LYS A 46 -11.317 4.930 0.911 1.00 0.00 N ATOM 666 CA LYS A 46 -9.932 5.335 1.188 1.00 0.00 C ATOM 667 C LYS A 46 -9.064 4.115 1.414 1.00 0.00 C ATOM 668 O LYS A 46 -9.131 3.590 2.507 1.00 0.00 O ATOM 669 CB LYS A 46 -9.820 6.360 2.336 1.00 0.00 C ATOM 670 CG LYS A 46 -9.417 7.761 1.849 1.00 0.00 C ATOM 671 CD LYS A 46 -10.579 8.548 1.224 1.00 0.00 C ATOM 672 CE LYS A 46 -10.399 10.071 1.347 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.573 10.536 2.740 1.00 0.00 N ATOM 0 H LYS A 46 -11.973 5.046 1.683 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.561 5.857 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.776 6.422 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.086 6.008 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.015 8.328 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.616 7.666 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.669 8.281 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.511 8.256 1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.406 10.349 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.120 10.575 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.698 11.568 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.412 10.082 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.732 10.285 3.298 1.00 0.00 H new ATOM 683 N ILE A 47 -8.305 3.615 0.437 1.00 0.00 N ATOM 684 CA ILE A 47 -7.481 2.430 0.681 1.00 0.00 C ATOM 685 C ILE A 47 -6.177 2.907 1.335 1.00 0.00 C ATOM 686 O ILE A 47 -5.321 3.483 0.664 1.00 0.00 O ATOM 687 CB ILE A 47 -7.289 1.583 -0.596 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.582 1.353 -1.411 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.714 0.211 -0.211 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.813 0.899 -0.622 1.00 0.00 C ATOM 0 H ILE A 47 -8.243 3.999 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.976 1.741 1.365 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.611 2.153 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.830 2.281 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.374 0.607 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.577 -0.391 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.753 0.346 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.404 -0.296 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.655 0.772 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.599 -0.049 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.062 1.650 0.127 1.00 0.00 H new ATOM 701 N VAL A 48 -6.080 2.731 2.650 1.00 0.00 N ATOM 702 CA VAL A 48 -5.007 3.150 3.544 1.00 0.00 C ATOM 703 C VAL A 48 -4.076 1.969 3.737 1.00 0.00 C ATOM 704 O VAL A 48 -4.522 0.915 4.183 1.00 0.00 O ATOM 705 CB VAL A 48 -5.649 3.576 4.889 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.677 4.038 5.970 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.759 4.617 4.730 1.00 0.00 C ATOM 0 H VAL A 48 -6.818 2.248 3.162 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.439 3.988 3.140 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.081 2.638 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.233 4.312 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.984 3.230 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.118 4.903 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.164 4.870 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.352 5.514 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.553 4.210 4.103 1.00 0.00 H new ATOM 717 N LEU A 49 -2.802 2.124 3.385 1.00 0.00 N ATOM 718 CA LEU A 49 -1.824 1.042 3.430 1.00 0.00 C ATOM 719 C LEU A 49 -0.789 1.274 4.522 1.00 0.00 C ATOM 720 O LEU A 49 0.036 2.155 4.373 1.00 0.00 O ATOM 721 CB LEU A 49 -1.155 0.898 2.059 1.00 0.00 C ATOM 722 CG LEU A 49 -1.772 -0.092 1.062 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.815 -1.535 1.580 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.147 0.384 0.611 1.00 0.00 C ATOM 0 H LEU A 49 -2.417 3.010 3.058 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.342 0.114 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.140 1.881 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.117 0.607 2.222 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.110 -0.113 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.263 -2.180 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.802 -1.876 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.411 -1.577 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.566 -0.332 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.805 0.468 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.055 1.357 0.129 1.00 0.00 H new ATOM 735 N ASP A 50 -0.816 0.504 5.604 1.00 0.00 N ATOM 736 CA ASP A 50 0.116 0.590 6.741 1.00 0.00 C ATOM 737 C ASP A 50 1.443 -0.092 6.431 1.00 0.00 C ATOM 738 O ASP A 50 1.402 -1.314 6.252 1.00 0.00 O ATOM 739 CB ASP A 50 -0.457 -0.136 7.954 1.00 0.00 C ATOM 740 CG ASP A 50 0.357 0.085 9.224 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.481 -0.450 9.363 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.201 0.710 10.146 1.00 0.00 O ATOM 0 H ASP A 50 -1.514 -0.230 5.726 1.00 0.00 H new ATOM 0 HA ASP A 50 0.265 1.652 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.480 0.201 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.505 -1.204 7.742 1.00 0.00 H new ATOM 746 N LEU A 51 2.600 0.594 6.373 1.00 0.00 N ATOM 747 CA LEU A 51 3.856 -0.055 6.068 1.00 0.00 C ATOM 748 C LEU A 51 4.768 -0.308 7.260 1.00 0.00 C ATOM 749 O LEU A 51 5.972 -0.495 7.078 1.00 0.00 O ATOM 750 CB LEU A 51 4.533 0.569 4.851 1.00 0.00 C ATOM 751 CG LEU A 51 3.680 0.591 3.568 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.674 -0.549 3.320 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.963 1.917 3.380 1.00 0.00 C ATOM 0 H LEU A 51 2.674 1.598 6.536 1.00 0.00 H new ATOM 0 HA LEU A 51 3.599 -1.074 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.817 1.592 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.454 0.023 4.647 1.00 0.00 H new ATOM 0 HG LEU A 51 4.458 0.430 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.158 -0.380 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.205 -1.500 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.946 -0.575 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.374 1.886 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.303 2.097 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.696 2.721 3.313 1.00 0.00 H new ATOM 764 N SER A 52 4.226 -0.355 8.478 1.00 0.00 N ATOM 765 CA SER A 52 5.073 -0.478 9.642 1.00 0.00 C ATOM 766 C SER A 52 5.735 -1.857 9.722 1.00 0.00 C ATOM 767 O SER A 52 6.781 -1.950 10.364 1.00 0.00 O ATOM 768 CB SER A 52 4.345 -0.083 10.935 1.00 0.00 C ATOM 769 OG SER A 52 3.167 -0.813 11.202 1.00 0.00 O ATOM 0 H SER A 52 3.226 -0.310 8.672 1.00 0.00 H new ATOM 0 HA SER A 52 5.883 0.242 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.030 -0.209 11.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.094 0.977 10.884 1.00 0.00 H new ATOM 0 HG SER A 52 2.531 -0.689 10.466 1.00 0.00 H new ATOM 774 N SER A 53 5.184 -2.906 9.098 1.00 0.00 N ATOM 775 CA SER A 53 5.813 -4.226 9.003 1.00 0.00 C ATOM 776 C SER A 53 6.843 -4.260 7.875 1.00 0.00 C ATOM 777 O SER A 53 7.844 -4.971 8.011 1.00 0.00 O ATOM 778 CB SER A 53 4.774 -5.325 8.718 1.00 0.00 C ATOM 779 OG SER A 53 3.663 -5.258 9.596 1.00 0.00 O ATOM 0 H SER A 53 4.275 -2.859 8.638 1.00 0.00 H new ATOM 0 HA SER A 53 6.294 -4.410 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.426 -5.235 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.248 -6.302 8.810 1.00 0.00 H new ATOM 0 HG SER A 53 2.842 -5.132 9.076 1.00 0.00 H new ATOM 784 N VAL A 54 6.584 -3.555 6.761 1.00 0.00 N ATOM 785 CA VAL A 54 7.333 -3.674 5.512 1.00 0.00 C ATOM 786 C VAL A 54 8.792 -3.303 5.773 1.00 0.00 C ATOM 787 O VAL A 54 9.171 -2.133 5.764 1.00 0.00 O ATOM 788 CB VAL A 54 6.763 -2.782 4.388 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.573 -2.995 3.098 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.298 -3.028 4.028 1.00 0.00 C ATOM 0 H VAL A 54 5.828 -2.872 6.709 1.00 0.00 H new ATOM 0 HA VAL A 54 7.249 -4.706 5.171 1.00 0.00 H new ATOM 0 HB VAL A 54 6.835 -1.770 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.169 -2.364 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.616 -2.731 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.509 -4.041 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.001 -2.349 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.173 -4.058 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.674 -2.853 4.904 1.00 0.00 H new ATOM 800 N SER A 55 9.627 -4.303 6.012 1.00 0.00 N ATOM 801 CA SER A 55 10.962 -4.061 6.521 1.00 0.00 C ATOM 802 C SER A 55 12.032 -3.944 5.441 1.00 0.00 C ATOM 803 O SER A 55 13.170 -3.613 5.753 1.00 0.00 O ATOM 804 CB SER A 55 11.292 -5.208 7.434 1.00 0.00 C ATOM 805 OG SER A 55 10.562 -5.121 8.649 1.00 0.00 O ATOM 0 H SER A 55 9.402 -5.286 5.861 1.00 0.00 H new ATOM 0 HA SER A 55 10.962 -3.098 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.064 -6.150 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.361 -5.211 7.648 1.00 0.00 H new ATOM 0 HG SER A 55 9.604 -5.065 8.452 1.00 0.00 H new ATOM 810 N TYR A 56 11.692 -4.212 4.194 1.00 0.00 N ATOM 811 CA TYR A 56 12.542 -3.995 3.039 1.00 0.00 C ATOM 812 C TYR A 56 11.632 -3.614 1.889 1.00 0.00 C ATOM 813 O TYR A 56 10.517 -4.128 1.811 1.00 0.00 O ATOM 814 CB TYR A 56 13.339 -5.294 2.767 1.00 0.00 C ATOM 815 CG TYR A 56 14.006 -5.421 1.403 1.00 0.00 C ATOM 816 CD1 TYR A 56 13.225 -5.600 0.242 1.00 0.00 C ATOM 817 CD2 TYR A 56 15.411 -5.404 1.291 1.00 0.00 C ATOM 818 CE1 TYR A 56 13.828 -5.649 -1.025 1.00 0.00 C ATOM 819 CE2 TYR A 56 16.021 -5.487 0.025 1.00 0.00 C ATOM 820 CZ TYR A 56 15.230 -5.588 -1.141 1.00 0.00 C ATOM 821 OH TYR A 56 15.814 -5.718 -2.365 1.00 0.00 O ATOM 0 H TYR A 56 10.782 -4.602 3.949 1.00 0.00 H new ATOM 0 HA TYR A 56 13.269 -3.197 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.111 -5.385 3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.663 -6.140 2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.153 -5.700 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.021 -5.327 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.216 -5.734 -1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.098 -5.473 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 56 16.787 -5.652 -2.272 1.00 0.00 H new ATOM 830 N MET A 57 12.123 -2.757 0.992 1.00 0.00 N ATOM 831 CA MET A 57 11.488 -2.461 -0.281 1.00 0.00 C ATOM 832 C MET A 57 12.551 -2.422 -1.367 1.00 0.00 C ATOM 833 O MET A 57 13.706 -2.081 -1.097 1.00 0.00 O ATOM 834 CB MET A 57 10.701 -1.147 -0.177 1.00 0.00 C ATOM 835 CG MET A 57 9.943 -0.698 -1.445 1.00 0.00 C ATOM 836 SD MET A 57 9.026 0.855 -1.280 1.00 0.00 S ATOM 837 CE MET A 57 7.753 0.527 -2.521 1.00 0.00 C ATOM 0 H MET A 57 12.991 -2.242 1.139 1.00 0.00 H new ATOM 0 HA MET A 57 10.772 -3.239 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.981 -1.244 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.395 -0.355 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.659 -0.595 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.246 -1.485 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.439 1.466 -2.977 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.156 -0.133 -3.289 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.896 0.050 -2.046 1.00 0.00 H new ATOM 845 N ASP A 58 12.147 -2.714 -2.596 1.00 0.00 N ATOM 846 CA ASP A 58 12.921 -2.541 -3.815 1.00 0.00 C ATOM 847 C ASP A 58 12.031 -1.865 -4.859 1.00 0.00 C ATOM 848 O ASP A 58 10.812 -1.774 -4.698 1.00 0.00 O ATOM 849 CB ASP A 58 13.443 -3.909 -4.291 1.00 0.00 C ATOM 850 CG ASP A 58 14.064 -3.896 -5.691 1.00 0.00 C ATOM 851 OD1 ASP A 58 14.916 -3.021 -5.965 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.581 -4.691 -6.527 1.00 0.00 O ATOM 0 H ASP A 58 11.220 -3.099 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 58 13.791 -1.907 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.187 -4.268 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.620 -4.623 -4.278 1.00 0.00 H new ATOM 856 N SER A 59 12.674 -1.446 -5.939 1.00 0.00 N ATOM 857 CA SER A 59 12.201 -1.018 -7.246 1.00 0.00 C ATOM 858 C SER A 59 10.960 -1.782 -7.728 1.00 0.00 C ATOM 859 O SER A 59 10.089 -1.192 -8.377 1.00 0.00 O ATOM 860 CB SER A 59 13.358 -1.232 -8.239 1.00 0.00 C ATOM 861 OG SER A 59 14.638 -0.950 -7.678 1.00 0.00 O ATOM 0 H SER A 59 13.692 -1.391 -5.911 1.00 0.00 H new ATOM 0 HA SER A 59 11.900 0.027 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.341 -2.264 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.202 -0.597 -9.111 1.00 0.00 H new ATOM 0 HG SER A 59 14.938 -1.716 -7.146 1.00 0.00 H new ATOM 866 N ALA A 60 10.853 -3.078 -7.402 1.00 0.00 N ATOM 867 CA ALA A 60 9.703 -3.882 -7.758 1.00 0.00 C ATOM 868 C ALA A 60 8.466 -3.286 -7.091 1.00 0.00 C ATOM 869 O ALA A 60 7.513 -2.917 -7.772 1.00 0.00 O ATOM 870 CB ALA A 60 9.932 -5.345 -7.357 1.00 0.00 C ATOM 0 H ALA A 60 11.569 -3.587 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 60 9.551 -3.873 -8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.059 -5.938 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.810 -5.731 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.090 -5.407 -6.280 1.00 0.00 H new ATOM 876 N GLY A 61 8.547 -3.126 -5.769 1.00 0.00 N ATOM 877 CA GLY A 61 7.561 -2.582 -4.857 1.00 0.00 C ATOM 878 C GLY A 61 6.777 -1.424 -5.432 1.00 0.00 C ATOM 879 O GLY A 61 5.567 -1.432 -5.528 1.00 0.00 O ATOM 0 H GLY A 61 9.392 -3.404 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.868 -3.373 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.063 -2.254 -3.947 1.00 0.00 H new ATOM 883 N LEU A 62 7.434 -0.353 -5.805 1.00 0.00 N ATOM 884 CA LEU A 62 6.720 0.871 -6.149 1.00 0.00 C ATOM 885 C LEU A 62 5.959 0.703 -7.465 1.00 0.00 C ATOM 886 O LEU A 62 4.881 1.275 -7.606 1.00 0.00 O ATOM 887 CB LEU A 62 7.649 2.096 -6.202 1.00 0.00 C ATOM 888 CG LEU A 62 9.089 1.808 -6.681 1.00 0.00 C ATOM 889 CD1 LEU A 62 9.710 2.978 -7.436 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.969 1.478 -5.467 1.00 0.00 C ATOM 0 H LEU A 62 8.450 -0.295 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 62 5.999 1.056 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.205 2.840 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.696 2.540 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 62 9.034 0.966 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.721 2.715 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.107 3.204 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.746 3.852 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.987 1.274 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.975 2.325 -4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.571 0.601 -4.957 1.00 0.00 H new ATOM 901 N GLY A 63 6.461 -0.130 -8.377 1.00 0.00 N ATOM 902 CA GLY A 63 5.746 -0.598 -9.555 1.00 0.00 C ATOM 903 C GLY A 63 4.514 -1.430 -9.191 1.00 0.00 C ATOM 904 O GLY A 63 3.524 -1.400 -9.924 1.00 0.00 O ATOM 0 H GLY A 63 7.406 -0.507 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.439 0.258 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.417 -1.196 -10.171 1.00 0.00 H new ATOM 908 N THR A 64 4.573 -2.136 -8.059 1.00 0.00 N ATOM 909 CA THR A 64 3.534 -2.995 -7.510 1.00 0.00 C ATOM 910 C THR A 64 2.432 -2.115 -6.971 1.00 0.00 C ATOM 911 O THR A 64 1.276 -2.492 -7.043 1.00 0.00 O ATOM 912 CB THR A 64 4.084 -3.844 -6.336 1.00 0.00 C ATOM 913 OG1 THR A 64 5.243 -4.545 -6.755 1.00 0.00 O ATOM 914 CG2 THR A 64 3.094 -4.890 -5.824 1.00 0.00 C ATOM 0 H THR A 64 5.404 -2.118 -7.467 1.00 0.00 H new ATOM 0 HA THR A 64 3.174 -3.660 -8.295 1.00 0.00 H new ATOM 0 HB THR A 64 4.291 -3.138 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.970 -3.908 -6.917 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.545 -5.447 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.190 -4.394 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.840 -5.576 -6.632 1.00 0.00 H new ATOM 922 N LEU A 65 2.768 -0.958 -6.409 1.00 0.00 N ATOM 923 CA LEU A 65 1.787 -0.044 -5.879 1.00 0.00 C ATOM 924 C LEU A 65 1.181 0.795 -6.986 1.00 0.00 C ATOM 925 O LEU A 65 -0.030 0.959 -7.062 1.00 0.00 O ATOM 926 CB LEU A 65 2.527 0.812 -4.871 1.00 0.00 C ATOM 927 CG LEU A 65 2.654 0.164 -3.485 1.00 0.00 C ATOM 928 CD1 LEU A 65 1.357 0.272 -2.677 1.00 0.00 C ATOM 929 CD2 LEU A 65 3.214 -1.237 -3.400 1.00 0.00 C ATOM 0 H LEU A 65 3.731 -0.636 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 65 0.954 -0.569 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.524 1.028 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.011 1.767 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 65 3.438 0.774 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.494 -0.200 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.101 1.322 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.551 -0.230 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.241 -1.555 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.582 -1.917 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.224 -1.251 -3.810 1.00 0.00 H new ATOM 940 N VAL A 66 2.002 1.340 -7.875 1.00 0.00 N ATOM 941 CA VAL A 66 1.517 2.274 -8.878 1.00 0.00 C ATOM 942 C VAL A 66 0.731 1.584 -10.001 1.00 0.00 C ATOM 943 O VAL A 66 0.041 2.244 -10.770 1.00 0.00 O ATOM 944 CB VAL A 66 2.719 3.102 -9.326 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.645 2.400 -10.291 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.299 4.471 -9.868 1.00 0.00 C ATOM 0 H VAL A 66 3.003 1.151 -7.920 1.00 0.00 H new ATOM 0 HA VAL A 66 0.768 2.950 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 66 3.302 3.249 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.469 3.064 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.041 1.498 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.095 2.131 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.184 5.028 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.639 4.336 -10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.774 5.025 -9.090 1.00 0.00 H new ATOM 956 N VAL A 67 0.787 0.255 -10.091 1.00 0.00 N ATOM 957 CA VAL A 67 -0.192 -0.499 -10.886 1.00 0.00 C ATOM 958 C VAL A 67 -1.590 -0.400 -10.242 1.00 0.00 C ATOM 959 O VAL A 67 -2.579 -0.153 -10.933 1.00 0.00 O ATOM 960 CB VAL A 67 0.302 -1.933 -11.182 1.00 0.00 C ATOM 961 CG1 VAL A 67 -0.010 -2.927 -10.079 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.282 -2.469 -12.492 1.00 0.00 C ATOM 0 H VAL A 67 1.491 -0.320 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.294 -0.048 -11.873 1.00 0.00 H new ATOM 0 HB VAL A 67 1.385 -1.841 -11.257 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.367 -3.911 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.467 -2.605 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.089 -2.980 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.087 -3.479 -12.668 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.370 -2.486 -12.425 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.021 -1.823 -13.316 1.00 0.00 H new ATOM 972 N ILE A 68 -1.672 -0.484 -8.909 1.00 0.00 N ATOM 973 CA ILE A 68 -2.919 -0.366 -8.152 1.00 0.00 C ATOM 974 C ILE A 68 -3.441 1.068 -8.262 1.00 0.00 C ATOM 975 O ILE A 68 -4.650 1.294 -8.241 1.00 0.00 O ATOM 976 CB ILE A 68 -2.725 -0.745 -6.665 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.893 -2.014 -6.420 1.00 0.00 C ATOM 978 CG2 ILE A 68 -4.086 -0.881 -5.965 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.541 -3.326 -6.845 1.00 0.00 C ATOM 0 H ILE A 68 -0.856 -0.639 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.643 -1.062 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.148 0.076 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.945 -1.911 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.661 -2.073 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.932 -1.148 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.621 0.067 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.671 -1.659 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.866 -4.153 -6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.474 -3.465 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.747 -3.300 -7.915 1.00 0.00 H new ATOM 990 N LEU A 69 -2.552 2.047 -8.461 1.00 0.00 N ATOM 991 CA LEU A 69 -2.943 3.424 -8.729 1.00 0.00 C ATOM 992 C LEU A 69 -3.781 3.526 -10.019 1.00 0.00 C ATOM 993 O LEU A 69 -4.515 4.499 -10.184 1.00 0.00 O ATOM 994 CB LEU A 69 -1.690 4.318 -8.710 1.00 0.00 C ATOM 995 CG LEU A 69 -1.990 5.829 -8.639 1.00 0.00 C ATOM 996 CD1 LEU A 69 -0.987 6.530 -7.714 1.00 0.00 C ATOM 997 CD2 LEU A 69 -1.883 6.489 -10.018 1.00 0.00 C ATOM 0 H LEU A 69 -1.543 1.901 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.604 3.790 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.073 4.041 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.101 4.118 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.007 5.931 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.212 7.596 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.059 6.107 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.023 6.386 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.101 7.553 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.874 6.356 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.598 6.027 -10.699 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.786 2.519 -10.902 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.893 2.323 -11.832 1.00 0.00 C ATOM 1010 C LYS A 70 -6.031 1.567 -11.164 1.00 0.00 C ATOM 1011 O LYS A 70 -7.117 2.122 -11.126 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.419 1.724 -13.154 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.618 1.574 -14.089 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.210 1.080 -15.477 1.00 0.00 C ATOM 1015 CE LYS A 70 -6.424 1.012 -16.411 1.00 0.00 C ATOM 1016 NZ LYS A 70 -6.694 2.269 -17.151 1.00 0.00 N ATOM 0 H LYS A 70 -3.036 1.833 -10.988 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.306 3.295 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.664 2.365 -13.609 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.952 0.754 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.332 0.876 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.126 2.534 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.458 1.747 -15.899 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.752 0.094 -15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.271 0.207 -17.129 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.305 0.753 -15.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.528 2.142 -17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.873 3.038 -16.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.871 2.509 -17.739 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.854 0.331 -10.697 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.960 -0.527 -10.227 1.00 0.00 C ATOM 1028 C ASP A 71 -7.934 0.176 -9.274 1.00 0.00 C ATOM 1029 O ASP A 71 -9.147 0.068 -9.457 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.470 -1.775 -9.495 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.659 -2.753 -10.335 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -6.176 -3.248 -11.366 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.527 -3.083 -9.931 1.00 0.00 O ATOM 0 H ASP A 71 -4.938 -0.112 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.474 -0.790 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.862 -1.462 -8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.335 -2.301 -9.091 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.427 0.893 -8.264 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.192 1.681 -7.321 1.00 0.00 C ATOM 1039 C ALA A 72 -9.019 2.698 -8.095 1.00 0.00 C ATOM 1040 O ALA A 72 -10.229 2.734 -7.919 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.244 2.350 -6.314 1.00 0.00 C ATOM 0 H ALA A 72 -6.424 0.934 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.873 1.049 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.824 2.942 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.686 1.584 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.548 2.999 -6.845 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.398 3.456 -9.001 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.080 4.362 -9.910 1.00 0.00 C ATOM 1049 C LYS A 73 -10.192 3.634 -10.677 1.00 0.00 C ATOM 1050 O LYS A 73 -11.326 4.112 -10.618 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.061 5.160 -10.735 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.691 5.891 -11.924 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.302 5.233 -13.255 1.00 0.00 C ATOM 1054 CE LYS A 73 -7.251 6.093 -13.947 1.00 0.00 C ATOM 1055 NZ LYS A 73 -7.840 7.249 -14.663 1.00 0.00 N ATOM 0 H LYS A 73 -7.385 3.453 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.624 5.131 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.569 5.887 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.288 4.483 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.776 5.891 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.371 6.933 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.912 4.231 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.180 5.126 -13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.538 6.455 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.693 5.479 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.083 7.800 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.501 6.907 -15.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.351 7.852 -13.987 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.928 2.487 -11.320 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.947 1.713 -12.036 1.00 0.00 C ATOM 1067 C ILE A 74 -12.120 1.419 -11.101 1.00 0.00 C ATOM 1068 O ILE A 74 -13.275 1.528 -11.505 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.415 0.367 -12.603 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -9.073 0.463 -13.354 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.494 -0.248 -13.511 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.490 -0.893 -13.776 1.00 0.00 C ATOM 0 H ILE A 74 -8.998 2.071 -11.357 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.258 2.324 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.207 -0.270 -11.744 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.210 1.079 -14.242 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.350 0.975 -12.719 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.133 -1.194 -13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.400 -0.424 -12.932 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.714 0.437 -14.330 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.546 -0.737 -14.298 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.318 -1.506 -12.891 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.191 -1.400 -14.438 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.838 0.979 -9.875 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.861 0.486 -8.964 1.00 0.00 C ATOM 1085 C ASN A 75 -13.459 1.610 -8.120 1.00 0.00 C ATOM 1086 O ASN A 75 -14.320 1.378 -7.277 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.273 -0.643 -8.119 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.322 -1.688 -7.787 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -13.977 -1.622 -6.759 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -13.478 -2.689 -8.636 1.00 0.00 N ATOM 0 H ASN A 75 -10.894 0.956 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.695 0.084 -9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.448 -1.111 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.861 -0.233 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.156 -3.425 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.921 -2.725 -9.489 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.005 2.843 -8.334 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.558 4.011 -7.693 1.00 0.00 C ATOM 1098 C GLY A 76 -13.104 4.151 -6.246 1.00 0.00 C ATOM 1099 O GLY A 76 -13.873 4.625 -5.405 1.00 0.00 O ATOM 0 H GLY A 76 -12.233 3.051 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.265 4.901 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.646 3.959 -7.726 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.881 3.718 -5.927 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.309 3.811 -4.587 1.00 0.00 C ATOM 1105 C LYS A 77 -10.173 4.839 -4.612 1.00 0.00 C ATOM 1106 O LYS A 77 -9.520 5.004 -5.645 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.833 2.425 -4.124 1.00 0.00 C ATOM 1108 CG LYS A 77 -11.761 1.247 -4.466 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.133 1.271 -3.779 1.00 0.00 C ATOM 1110 CE LYS A 77 -13.997 0.155 -4.372 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.329 0.045 -3.750 1.00 0.00 N ATOM 0 H LYS A 77 -11.253 3.287 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.057 4.145 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.855 2.232 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.695 2.452 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.914 1.228 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.256 0.319 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.020 1.131 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.612 2.239 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.118 0.330 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.474 -0.795 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.929 -0.582 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.233 -0.348 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.766 0.987 -3.695 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.937 5.528 -3.495 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.764 6.382 -3.262 1.00 0.00 C ATOM 1123 C GLU A 78 -7.601 5.518 -2.735 1.00 0.00 C ATOM 1124 O GLU A 78 -7.784 4.334 -2.447 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.120 7.492 -2.255 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.175 8.712 -2.266 1.00 0.00 C ATOM 1127 CD GLU A 78 -7.915 9.304 -3.664 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -8.879 9.722 -4.339 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -6.752 9.317 -4.128 1.00 0.00 O ATOM 0 H GLU A 78 -10.576 5.509 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.457 6.852 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.134 7.835 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.124 7.064 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.597 9.489 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.222 8.421 -1.825 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.415 6.091 -2.537 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.203 5.365 -2.197 1.00 0.00 C ATOM 1136 C PHE A 79 -4.298 6.260 -1.356 1.00 0.00 C ATOM 1137 O PHE A 79 -4.075 7.425 -1.695 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.508 4.957 -3.499 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.037 4.669 -3.312 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.628 3.579 -2.527 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.083 5.551 -3.846 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.263 3.360 -2.302 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.719 5.346 -3.604 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.313 4.254 -2.823 1.00 0.00 C ATOM 0 H PHE A 79 -6.272 7.098 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.435 4.472 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.998 4.072 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.627 5.753 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.362 2.913 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.403 6.390 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.941 2.504 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.015 6.023 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.737 4.100 -2.621 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.797 5.714 -0.248 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.927 6.364 0.716 1.00 0.00 C ATOM 1155 C ILE A 80 -1.978 5.264 1.223 1.00 0.00 C ATOM 1156 O ILE A 80 -2.331 4.082 1.228 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.783 7.016 1.844 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.999 7.791 1.276 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.904 7.994 2.645 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.969 8.425 2.266 1.00 0.00 C ATOM 0 H ILE A 80 -4.003 4.749 0.010 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.344 7.180 0.289 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.158 6.215 2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.619 8.581 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.566 7.107 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.498 8.453 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.068 7.453 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.524 8.769 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.766 8.931 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.399 7.650 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.437 9.148 2.885 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.787 5.650 1.677 1.00 0.00 N ATOM 1172 CA LEU A 81 0.158 4.819 2.411 1.00 0.00 C ATOM 1173 C LEU A 81 0.339 5.514 3.754 1.00 0.00 C ATOM 1174 O LEU A 81 0.351 6.743 3.797 1.00 0.00 O ATOM 1175 CB LEU A 81 1.524 4.817 1.709 1.00 0.00 C ATOM 1176 CG LEU A 81 1.587 4.364 0.246 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.032 4.470 -0.244 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.118 2.927 0.044 1.00 0.00 C ATOM 0 H LEU A 81 -0.440 6.599 1.534 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.202 3.793 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.927 5.829 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.193 4.177 2.285 1.00 0.00 H new ATOM 0 HG LEU A 81 0.917 5.013 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.088 4.150 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.368 5.504 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.671 3.832 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.187 2.667 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.748 2.254 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.084 2.832 0.374 1.00 0.00 H new ATOM 1189 N SER A 82 0.484 4.779 4.843 1.00 0.00 N ATOM 1190 CA SER A 82 0.668 5.311 6.167 1.00 0.00 C ATOM 1191 C SER A 82 1.642 4.416 6.914 1.00 0.00 C ATOM 1192 O SER A 82 1.821 3.259 6.554 1.00 0.00 O ATOM 1193 CB SER A 82 -0.692 5.323 6.847 1.00 0.00 C ATOM 1194 OG SER A 82 -1.390 6.532 6.643 1.00 0.00 O ATOM 0 H SER A 82 0.475 3.759 4.820 1.00 0.00 H new ATOM 0 HA SER A 82 1.073 6.323 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.290 4.494 6.469 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.561 5.160 7.917 1.00 0.00 H new ATOM 0 HG SER A 82 -1.940 6.729 7.430 1.00 0.00 H new ATOM 1199 N SER A 83 2.221 4.918 7.997 1.00 0.00 N ATOM 1200 CA SER A 83 3.169 4.176 8.812 1.00 0.00 C ATOM 1201 C SER A 83 4.355 3.633 8.048 1.00 0.00 C ATOM 1202 O SER A 83 4.525 2.436 7.856 1.00 0.00 O ATOM 1203 CB SER A 83 2.428 3.073 9.589 1.00 0.00 C ATOM 1204 OG SER A 83 1.935 3.613 10.814 1.00 0.00 O ATOM 0 H SER A 83 2.042 5.863 8.337 1.00 0.00 H new ATOM 0 HA SER A 83 3.606 4.885 9.515 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.604 2.682 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.100 2.239 9.790 1.00 0.00 H new ATOM 0 HG SER A 83 1.994 4.591 10.788 1.00 0.00 H new ATOM 1209 N LEU A 84 5.222 4.538 7.628 1.00 0.00 N ATOM 1210 CA LEU A 84 6.371 4.139 6.846 1.00 0.00 C ATOM 1211 C LEU A 84 7.588 4.049 7.722 1.00 0.00 C ATOM 1212 O LEU A 84 7.824 4.884 8.601 1.00 0.00 O ATOM 1213 CB LEU A 84 6.572 5.149 5.740 1.00 0.00 C ATOM 1214 CG LEU A 84 5.558 4.970 4.609 1.00 0.00 C ATOM 1215 CD1 LEU A 84 6.070 4.003 3.532 1.00 0.00 C ATOM 1216 CD2 LEU A 84 4.098 4.697 4.928 1.00 0.00 C ATOM 0 H LEU A 84 5.152 5.539 7.813 1.00 0.00 H new ATOM 0 HA LEU A 84 6.206 3.154 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.485 6.156 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.582 5.053 5.340 1.00 0.00 H new ATOM 0 HG LEU A 84 5.506 5.995 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.321 3.903 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.994 4.391 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.259 3.027 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.535 4.600 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.017 3.773 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.693 5.522 5.514 1.00 0.00 H new ATOM 1227 N LYS A 85 8.397 3.042 7.429 1.00 0.00 N ATOM 1228 CA LYS A 85 9.727 2.950 7.999 1.00 0.00 C ATOM 1229 C LYS A 85 10.583 4.000 7.340 1.00 0.00 C ATOM 1230 O LYS A 85 10.408 4.275 6.148 1.00 0.00 O ATOM 1231 CB LYS A 85 10.317 1.552 7.813 1.00 0.00 C ATOM 1232 CG LYS A 85 9.438 0.541 8.551 1.00 0.00 C ATOM 1233 CD LYS A 85 10.133 -0.814 8.742 1.00 0.00 C ATOM 1234 CE LYS A 85 9.751 -1.375 10.105 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.751 -1.075 11.143 1.00 0.00 N ATOM 0 H LYS A 85 8.153 2.278 6.799 1.00 0.00 H new ATOM 0 HA LYS A 85 9.685 3.124 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.369 1.303 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.336 1.518 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.164 0.946 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.512 0.395 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.836 -1.505 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.214 -0.696 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.787 -0.964 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.627 -2.455 10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.442 -1.479 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.666 -1.489 10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.852 -0.044 11.240 1.00 0.00 H new ATOM 1245 N GLU A 86 11.576 4.492 8.073 1.00 0.00 N ATOM 1246 CA GLU A 86 12.521 5.476 7.526 1.00 0.00 C ATOM 1247 C GLU A 86 13.140 4.894 6.256 1.00 0.00 C ATOM 1248 O GLU A 86 13.254 5.556 5.222 1.00 0.00 O ATOM 1249 CB GLU A 86 13.628 5.823 8.539 1.00 0.00 C ATOM 1250 CG GLU A 86 14.620 6.879 7.996 1.00 0.00 C ATOM 1251 CD GLU A 86 16.035 6.680 8.535 1.00 0.00 C ATOM 1252 OE1 GLU A 86 16.364 7.201 9.626 1.00 0.00 O ATOM 1253 OE2 GLU A 86 16.817 5.968 7.855 1.00 0.00 O ATOM 0 H GLU A 86 11.752 4.231 9.043 1.00 0.00 H new ATOM 0 HA GLU A 86 11.984 6.398 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.172 6.196 9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.174 4.917 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.639 6.830 6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.269 7.875 8.264 1.00 0.00 H new ATOM 1258 N SER A 87 13.462 3.604 6.329 1.00 0.00 N ATOM 1259 CA SER A 87 14.181 2.864 5.310 1.00 0.00 C ATOM 1260 C SER A 87 13.425 2.792 3.984 1.00 0.00 C ATOM 1261 O SER A 87 14.023 2.501 2.957 1.00 0.00 O ATOM 1262 CB SER A 87 14.462 1.453 5.823 1.00 0.00 C ATOM 1263 OG SER A 87 14.730 1.438 7.217 1.00 0.00 O ATOM 0 H SER A 87 13.216 3.028 7.134 1.00 0.00 H new ATOM 0 HA SER A 87 15.112 3.396 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.605 0.813 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.313 1.035 5.286 1.00 0.00 H new ATOM 0 HG SER A 87 14.903 0.518 7.507 1.00 0.00 H new ATOM 1268 N ILE A 88 12.120 3.064 3.999 1.00 0.00 N ATOM 1269 CA ILE A 88 11.192 2.807 2.922 1.00 0.00 C ATOM 1270 C ILE A 88 10.639 4.151 2.461 1.00 0.00 C ATOM 1271 O ILE A 88 10.523 4.408 1.264 1.00 0.00 O ATOM 1272 CB ILE A 88 10.086 1.873 3.434 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.604 0.589 4.133 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.150 1.544 2.272 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.301 -0.444 3.255 1.00 0.00 C ATOM 0 H ILE A 88 11.669 3.491 4.808 1.00 0.00 H new ATOM 0 HA ILE A 88 11.672 2.315 2.076 1.00 0.00 H new ATOM 0 HB ILE A 88 9.547 2.404 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.297 0.888 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.758 0.104 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.358 0.881 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.710 2.464 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.713 1.052 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.613 -1.290 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.613 -0.789 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.176 0.007 2.787 1.00 0.00 H new ATOM 1286 N SER A 89 10.366 5.051 3.405 1.00 0.00 N ATOM 1287 CA SER A 89 9.887 6.377 3.083 1.00 0.00 C ATOM 1288 C SER A 89 10.966 7.115 2.276 1.00 0.00 C ATOM 1289 O SER A 89 10.678 7.678 1.215 1.00 0.00 O ATOM 1290 CB SER A 89 9.444 7.130 4.350 1.00 0.00 C ATOM 1291 OG SER A 89 8.103 7.559 4.214 1.00 0.00 O ATOM 0 H SER A 89 10.472 4.875 4.404 1.00 0.00 H new ATOM 0 HA SER A 89 8.995 6.314 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.540 6.481 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.094 7.989 4.519 1.00 0.00 H new ATOM 0 HG SER A 89 7.828 8.036 5.025 1.00 0.00 H new ATOM 1296 N ARG A 90 12.238 7.003 2.687 1.00 0.00 N ATOM 1297 CA ARG A 90 13.365 7.491 1.894 1.00 0.00 C ATOM 1298 C ARG A 90 13.411 6.832 0.525 1.00 0.00 C ATOM 1299 O ARG A 90 13.781 7.500 -0.421 1.00 0.00 O ATOM 1300 CB ARG A 90 14.686 7.256 2.629 1.00 0.00 C ATOM 1301 CG ARG A 90 15.153 5.800 2.521 1.00 0.00 C ATOM 1302 CD ARG A 90 16.138 5.434 3.597 1.00 0.00 C ATOM 1303 NE ARG A 90 17.510 5.850 3.295 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.445 6.281 4.147 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.201 6.571 5.421 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.676 6.432 3.673 1.00 0.00 N ATOM 0 H ARG A 90 12.508 6.574 3.572 1.00 0.00 H new ATOM 0 HA ARG A 90 13.222 8.562 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.452 7.914 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.569 7.522 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.289 5.138 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.609 5.639 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.826 5.891 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.118 4.354 3.746 1.00 0.00 H new ATOM 0 HE ARG A 90 17.785 5.805 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.258 6.468 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.957 6.896 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.875 6.221 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.422 6.759 4.287 1.00 0.00 H new ATOM 1317 N ILE A 91 13.094 5.544 0.397 1.00 0.00 N ATOM 1318 CA ILE A 91 13.250 4.798 -0.836 1.00 0.00 C ATOM 1319 C ILE A 91 12.262 5.390 -1.849 1.00 0.00 C ATOM 1320 O ILE A 91 12.628 5.695 -2.989 1.00 0.00 O ATOM 1321 CB ILE A 91 13.010 3.295 -0.528 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.344 2.577 -0.262 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.180 2.582 -1.604 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.148 1.122 0.188 1.00 0.00 C ATOM 0 H ILE A 91 12.716 4.987 1.164 1.00 0.00 H new ATOM 0 HA ILE A 91 14.249 4.872 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 91 12.409 3.249 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.950 2.595 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.899 3.119 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.049 1.536 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.204 3.060 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.697 2.643 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.120 0.661 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.566 1.101 1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.618 0.569 -0.588 1.00 0.00 H new ATOM 1335 N LEU A 92 11.008 5.588 -1.417 1.00 0.00 N ATOM 1336 CA LEU A 92 9.980 6.253 -2.202 1.00 0.00 C ATOM 1337 C LEU A 92 10.510 7.626 -2.597 1.00 0.00 C ATOM 1338 O LEU A 92 10.499 7.988 -3.771 1.00 0.00 O ATOM 1339 CB LEU A 92 8.677 6.381 -1.391 1.00 0.00 C ATOM 1340 CG LEU A 92 8.051 5.023 -1.013 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.053 5.168 0.136 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.336 4.386 -2.205 1.00 0.00 C ATOM 0 H LEU A 92 10.684 5.283 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 92 9.749 5.671 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.879 6.945 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.954 6.957 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 92 8.873 4.380 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.631 4.192 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.563 5.569 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.253 5.846 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.907 3.431 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.542 5.048 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.049 4.224 -3.013 1.00 0.00 H new ATOM 1353 N LYS A 93 11.008 8.397 -1.636 1.00 0.00 N ATOM 1354 CA LYS A 93 11.449 9.758 -1.826 1.00 0.00 C ATOM 1355 C LYS A 93 12.587 9.839 -2.842 1.00 0.00 C ATOM 1356 O LYS A 93 12.482 10.556 -3.836 1.00 0.00 O ATOM 1357 CB LYS A 93 11.768 10.274 -0.422 1.00 0.00 C ATOM 1358 CG LYS A 93 12.361 11.666 -0.455 1.00 0.00 C ATOM 1359 CD LYS A 93 12.053 12.486 0.815 1.00 0.00 C ATOM 1360 CE LYS A 93 13.273 12.688 1.716 1.00 0.00 C ATOM 1361 NZ LYS A 93 14.128 13.810 1.284 1.00 0.00 N ATOM 0 H LYS A 93 11.116 8.073 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 93 10.693 10.403 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.858 10.281 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.466 9.593 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.441 11.591 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.977 12.198 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.660 13.460 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.270 11.983 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.938 12.866 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.864 11.772 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.937 13.899 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.474 13.632 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.576 14.692 1.297 1.00 0.00 H new ATOM 1371 N LEU A 94 13.632 9.043 -2.659 1.00 0.00 N ATOM 1372 CA LEU A 94 14.749 8.822 -3.566 1.00 0.00 C ATOM 1373 C LEU A 94 14.220 8.600 -4.977 1.00 0.00 C ATOM 1374 O LEU A 94 14.491 9.403 -5.873 1.00 0.00 O ATOM 1375 CB LEU A 94 15.579 7.627 -3.041 1.00 0.00 C ATOM 1376 CG LEU A 94 16.511 7.997 -1.869 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.087 6.727 -1.235 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.659 8.910 -2.302 1.00 0.00 C ATOM 0 H LEU A 94 13.727 8.492 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 94 15.405 9.692 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.901 6.836 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.177 7.223 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 94 15.908 8.542 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.744 6.999 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.273 6.105 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.655 6.172 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.285 9.141 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.258 8.407 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.253 9.834 -2.713 1.00 0.00 H new ATOM 1389 N THR A 95 13.382 7.582 -5.167 1.00 0.00 N ATOM 1390 CA THR A 95 12.867 7.206 -6.485 1.00 0.00 C ATOM 1391 C THR A 95 11.807 8.166 -7.041 1.00 0.00 C ATOM 1392 O THR A 95 11.347 8.011 -8.172 1.00 0.00 O ATOM 1393 CB THR A 95 12.434 5.721 -6.477 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.197 4.948 -5.560 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.638 5.076 -7.851 1.00 0.00 C ATOM 0 H THR A 95 13.039 6.992 -4.409 1.00 0.00 H new ATOM 0 HA THR A 95 13.683 7.308 -7.201 1.00 0.00 H new ATOM 0 HB THR A 95 11.382 5.726 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.875 5.109 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.325 4.033 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.043 5.607 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.692 5.129 -8.125 1.00 0.00 H new ATOM 1403 N HIS A 96 11.504 9.231 -6.303 1.00 0.00 N ATOM 1404 CA HIS A 96 10.561 10.291 -6.619 1.00 0.00 C ATOM 1405 C HIS A 96 9.110 9.800 -6.571 1.00 0.00 C ATOM 1406 O HIS A 96 8.270 10.335 -7.281 1.00 0.00 O ATOM 1407 CB HIS A 96 10.805 10.996 -7.970 1.00 0.00 C ATOM 1408 CG HIS A 96 12.179 11.518 -8.308 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.389 11.238 -7.693 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.408 12.436 -9.294 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.323 12.003 -8.287 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.753 12.730 -9.266 1.00 0.00 N ATOM 0 H HIS A 96 11.949 9.383 -5.398 1.00 0.00 H new ATOM 0 HA HIS A 96 10.735 11.030 -5.837 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.520 10.297 -8.757 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.115 11.838 -8.026 1.00 0.00 H new ATOM 0 HD1 HIS A 96 13.543 10.576 -6.932 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.673 12.852 -9.968 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.369 12.030 -8.019 1.00 0.00 H new ATOM 1420 N LEU A 97 8.802 8.775 -5.783 1.00 0.00 N ATOM 1421 CA LEU A 97 7.453 8.286 -5.527 1.00 0.00 C ATOM 1422 C LEU A 97 6.758 9.175 -4.514 1.00 0.00 C ATOM 1423 O LEU A 97 5.563 9.418 -4.629 1.00 0.00 O ATOM 1424 CB LEU A 97 7.564 6.861 -4.945 1.00 0.00 C ATOM 1425 CG LEU A 97 7.268 5.708 -5.906 1.00 0.00 C ATOM 1426 CD1 LEU A 97 5.769 5.521 -6.036 1.00 0.00 C ATOM 1427 CD2 LEU A 97 7.882 5.863 -7.292 1.00 0.00 C ATOM 0 H LEU A 97 9.515 8.241 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 97 6.879 8.288 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.573 6.729 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.882 6.784 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 97 7.739 4.829 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.563 4.699 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.345 5.293 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.320 6.436 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.620 5.000 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.499 6.770 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.966 5.930 -7.204 1.00 0.00 H new ATOM 1438 N ASP A 98 7.461 9.664 -3.492 1.00 0.00 N ATOM 1439 CA ASP A 98 6.768 10.325 -2.391 1.00 0.00 C ATOM 1440 C ASP A 98 6.113 11.630 -2.853 1.00 0.00 C ATOM 1441 O ASP A 98 5.059 11.992 -2.334 1.00 0.00 O ATOM 1442 CB ASP A 98 7.721 10.589 -1.211 1.00 0.00 C ATOM 1443 CG ASP A 98 8.412 11.956 -1.300 1.00 0.00 C ATOM 1444 OD1 ASP A 98 9.154 12.165 -2.284 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.186 12.817 -0.419 1.00 0.00 O ATOM 0 H ASP A 98 8.476 9.617 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 98 5.982 9.652 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.161 10.530 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.478 9.806 -1.179 1.00 0.00 H new ATOM 1449 N LYS A 99 6.704 12.293 -3.856 1.00 0.00 N ATOM 1450 CA LYS A 99 6.214 13.511 -4.494 1.00 0.00 C ATOM 1451 C LYS A 99 4.997 13.300 -5.404 1.00 0.00 C ATOM 1452 O LYS A 99 4.463 14.287 -5.909 1.00 0.00 O ATOM 1453 CB LYS A 99 7.350 14.208 -5.267 1.00 0.00 C ATOM 1454 CG LYS A 99 7.985 13.331 -6.354 1.00 0.00 C ATOM 1455 CD LYS A 99 7.878 13.902 -7.773 1.00 0.00 C ATOM 1456 CE LYS A 99 8.759 15.132 -8.039 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.354 15.798 -9.293 1.00 0.00 N ATOM 0 H LYS A 99 7.583 11.973 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 99 5.869 14.152 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.961 15.116 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.123 14.514 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.038 13.182 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.512 12.349 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.144 13.121 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.839 14.168 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.678 15.831 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.805 14.831 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.960 16.627 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.454 15.134 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.362 16.103 -9.220 1.00 0.00 H new ATOM 1467 N ILE A 100 4.569 12.059 -5.638 1.00 0.00 N ATOM 1468 CA ILE A 100 3.496 11.713 -6.567 1.00 0.00 C ATOM 1469 C ILE A 100 2.427 10.831 -5.899 1.00 0.00 C ATOM 1470 O ILE A 100 1.327 10.699 -6.440 1.00 0.00 O ATOM 1471 CB ILE A 100 4.096 11.061 -7.839 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.077 9.928 -7.543 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.794 12.096 -8.741 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.585 9.225 -8.806 1.00 0.00 C ATOM 0 H ILE A 100 4.971 11.245 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 100 2.982 12.626 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 100 3.237 10.636 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.927 10.327 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.592 9.196 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.200 11.597 -9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.073 12.852 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.603 12.573 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.278 8.431 -8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.742 8.797 -9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.098 9.946 -9.443 1.00 0.00 H new ATOM 1485 N PHE A 101 2.739 10.260 -4.733 1.00 0.00 N ATOM 1486 CA PHE A 101 1.894 9.421 -3.891 1.00 0.00 C ATOM 1487 C PHE A 101 1.413 10.222 -2.671 1.00 0.00 C ATOM 1488 O PHE A 101 1.771 11.391 -2.483 1.00 0.00 O ATOM 1489 CB PHE A 101 2.730 8.208 -3.429 1.00 0.00 C ATOM 1490 CG PHE A 101 2.713 6.972 -4.308 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.710 7.025 -5.711 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.695 5.715 -3.694 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.669 5.859 -6.477 1.00 0.00 C ATOM 1494 CE2 PHE A 101 2.648 4.539 -4.442 1.00 0.00 C ATOM 1495 CZ PHE A 101 2.635 4.621 -5.836 1.00 0.00 C ATOM 0 H PHE A 101 3.665 10.385 -4.324 1.00 0.00 H new ATOM 0 HA PHE A 101 1.020 9.085 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.765 8.533 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.385 7.920 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.740 7.984 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.718 5.654 -2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.664 5.915 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.622 3.578 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.598 3.716 -6.424 1.00 0.00 H new ATOM 1504 N LYS A 102 0.657 9.568 -1.784 1.00 0.00 N ATOM 1505 CA LYS A 102 0.401 10.056 -0.437 1.00 0.00 C ATOM 1506 C LYS A 102 1.059 9.120 0.546 1.00 0.00 C ATOM 1507 O LYS A 102 0.953 7.904 0.398 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.109 10.195 -0.218 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.455 11.000 1.043 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.949 11.357 1.029 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.534 11.518 2.436 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.956 11.919 2.385 1.00 0.00 N ATOM 0 H LYS A 102 0.204 8.677 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 102 0.829 11.047 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.555 10.680 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.554 9.203 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.217 10.420 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.854 11.908 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.091 12.284 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.499 10.579 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.438 10.579 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.963 12.266 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.323 12.020 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.043 12.827 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.504 11.193 1.881 1.00 0.00 H new ATOM 1522 N ILE A 103 1.752 9.717 1.509 1.00 0.00 N ATOM 1523 CA ILE A 103 2.343 9.048 2.644 1.00 0.00 C ATOM 1524 C ILE A 103 1.864 9.832 3.860 1.00 0.00 C ATOM 1525 O ILE A 103 1.955 11.062 3.857 1.00 0.00 O ATOM 1526 CB ILE A 103 3.892 8.975 2.546 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.406 7.960 1.496 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.493 8.587 3.912 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.476 8.493 0.060 1.00 0.00 C ATOM 0 H ILE A 103 1.920 10.723 1.513 1.00 0.00 H new ATOM 0 HA ILE A 103 2.036 8.004 2.701 1.00 0.00 H new ATOM 0 HB ILE A 103 4.210 9.969 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.400 7.626 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.757 7.084 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.579 8.539 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.217 9.334 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.108 7.613 4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.847 7.710 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.481 8.799 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.150 9.349 0.022 1.00 0.00 H new ATOM 1540 N THR A 104 1.423 9.126 4.891 1.00 0.00 N ATOM 1541 CA THR A 104 1.004 9.658 6.174 1.00 0.00 C ATOM 1542 C THR A 104 1.628 8.831 7.312 1.00 0.00 C ATOM 1543 O THR A 104 2.343 7.851 7.081 1.00 0.00 O ATOM 1544 CB THR A 104 -0.532 9.828 6.180 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.227 8.889 5.379 1.00 0.00 O ATOM 1546 CG2 THR A 104 -0.930 11.176 5.572 1.00 0.00 C ATOM 0 H THR A 104 1.345 8.110 4.849 1.00 0.00 H new ATOM 0 HA THR A 104 1.384 10.664 6.353 1.00 0.00 H new ATOM 0 HB THR A 104 -0.797 9.711 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.433 8.093 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.015 11.275 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.484 11.983 6.153 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.574 11.230 4.543 1.00 0.00 H new ATOM 1554 N ASP A 105 1.443 9.258 8.558 1.00 0.00 N ATOM 1555 CA ASP A 105 2.217 8.756 9.700 1.00 0.00 C ATOM 1556 C ASP A 105 1.541 7.550 10.319 1.00 0.00 C ATOM 1557 O ASP A 105 2.142 6.524 10.646 1.00 0.00 O ATOM 1558 CB ASP A 105 2.328 9.838 10.782 1.00 0.00 C ATOM 1559 CG ASP A 105 3.789 10.052 11.138 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.455 9.045 11.470 1.00 0.00 O ATOM 1561 OD2 ASP A 105 4.274 11.205 11.060 1.00 0.00 O ATOM 0 H ASP A 105 0.751 9.964 8.810 1.00 0.00 H new ATOM 0 HA ASP A 105 3.205 8.481 9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.890 10.770 10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.767 9.540 11.668 1.00 0.00 H new ATOM 1565 N THR A 106 0.237 7.684 10.471 1.00 0.00 N ATOM 1566 CA THR A 106 -0.632 6.705 11.066 1.00 0.00 C ATOM 1567 C THR A 106 -1.712 6.433 10.040 1.00 0.00 C ATOM 1568 O THR A 106 -1.956 7.235 9.129 1.00 0.00 O ATOM 1569 CB THR A 106 -1.170 7.228 12.408 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.847 8.452 12.217 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.042 7.460 13.415 1.00 0.00 C ATOM 0 H THR A 106 -0.261 8.520 10.166 1.00 0.00 H new ATOM 0 HA THR A 106 -0.123 5.772 11.308 1.00 0.00 H new ATOM 0 HB THR A 106 -1.849 6.470 12.799 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.187 8.775 13.077 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.460 7.829 14.351 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.482 6.522 13.597 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.657 8.194 13.015 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.366 5.290 10.158 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.567 5.018 9.393 1.00 0.00 C ATOM 1581 C VAL A 107 -4.627 6.084 9.712 1.00 0.00 C ATOM 1582 O VAL A 107 -5.327 6.539 8.815 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.995 3.565 9.662 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -2.934 2.620 9.076 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.134 3.236 11.154 1.00 0.00 C ATOM 0 H VAL A 107 -2.082 4.533 10.780 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.402 5.093 8.318 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.973 3.437 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.226 1.586 9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.851 2.788 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.972 2.815 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.438 2.196 11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.177 3.392 11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.886 3.886 11.601 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.667 6.578 10.950 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.537 7.672 11.382 1.00 0.00 C ATOM 1597 C GLU A 108 -5.350 8.946 10.548 1.00 0.00 C ATOM 1598 O GLU A 108 -6.322 9.647 10.254 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.279 7.959 12.862 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.165 7.070 13.736 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.597 7.590 13.822 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -7.822 8.588 14.548 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -8.478 7.019 13.137 1.00 0.00 O ATOM 0 H GLU A 108 -4.078 6.218 11.701 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.570 7.357 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.229 7.781 13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.480 9.009 13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.172 6.058 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.741 7.011 14.738 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.116 9.267 10.154 1.00 0.00 N ATOM 1609 CA GLU A 109 -3.801 10.508 9.458 1.00 0.00 C ATOM 1610 C GLU A 109 -4.204 10.460 7.976 1.00 0.00 C ATOM 1611 O GLU A 109 -4.155 11.487 7.294 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.298 10.789 9.656 1.00 0.00 C ATOM 1613 CG GLU A 109 -1.839 12.223 9.354 1.00 0.00 C ATOM 1614 CD GLU A 109 -2.447 13.300 10.259 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -3.285 13.006 11.142 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -2.011 14.468 10.159 1.00 0.00 O ATOM 0 H GLU A 109 -3.306 8.668 10.311 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.383 11.329 9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.037 10.554 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.734 10.106 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.753 12.267 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.086 12.457 8.319 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.615 9.285 7.484 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.093 9.084 6.132 1.00 0.00 C ATOM 1623 C ALA A 110 -6.543 9.534 6.055 1.00 0.00 C ATOM 1624 O ALA A 110 -6.787 10.745 5.877 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.919 7.615 5.753 1.00 0.00 C ATOM 0 H ALA A 110 -4.620 8.430 8.040 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.520 9.676 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.277 7.457 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.864 7.346 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.491 6.992 6.440 1.00 0.00 H new