USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 28 HIS : no HD1:sc= -1.02! C(o=-0.94!,f=-11!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.0818 USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0.656 USER MOD Set 2.2: A 27 SER OG : rot 33:sc= 1.15 USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.242 USER MOD Single : A 10 THR OG1 : rot 85:sc= 0.368 USER MOD Single : A 15 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 16 CYS SG : rot 175:sc= -3.37! USER MOD Single : A 22 THR OG1 : rot -14:sc= 0.838 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00273 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.822) USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= -0.609 (180deg=-1.98!) USER MOD Single : A 61 THR OG1 : rot 64:sc= 0.429 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 65 ASN :FLIP amide:sc=-0.00412 F(o=-1.4,f=-0.0041) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0.152 F(o=-3!,f=0.15) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -9.124 2.479 -2.665 1.00 0.00 N ATOM 46 CA THR A 4 -7.837 2.433 -1.958 1.00 0.00 C ATOM 47 C THR A 4 -7.195 3.834 -1.976 1.00 0.00 C ATOM 48 O THR A 4 -6.690 4.297 -0.960 1.00 0.00 O ATOM 49 CB THR A 4 -6.857 1.396 -2.597 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.567 0.176 -2.859 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.641 1.103 -1.685 1.00 0.00 C ATOM 0 HA THR A 4 -8.027 2.118 -0.932 1.00 0.00 H new ATOM 0 HB THR A 4 -6.475 1.823 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.520 0.371 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.988 0.377 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.089 2.026 -1.507 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.988 0.699 -0.734 1.00 0.00 H new ATOM 59 N PHE A 5 -7.277 4.500 -3.148 1.00 0.00 N ATOM 60 CA PHE A 5 -6.826 5.892 -3.336 1.00 0.00 C ATOM 61 C PHE A 5 -7.600 6.865 -2.420 1.00 0.00 C ATOM 62 O PHE A 5 -7.022 7.826 -1.942 1.00 0.00 O ATOM 63 CB PHE A 5 -6.958 6.328 -4.829 1.00 0.00 C ATOM 64 CG PHE A 5 -6.728 7.829 -5.061 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.456 8.388 -4.934 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.797 8.692 -5.345 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.262 9.749 -5.080 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.593 10.051 -5.500 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.329 10.578 -5.363 1.00 0.00 C ATOM 0 H PHE A 5 -7.661 4.082 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.773 5.932 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.242 5.764 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.952 6.063 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.612 7.749 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.794 8.289 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.271 10.165 -4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.426 10.699 -5.729 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.172 11.640 -5.477 1.00 0.00 H new ATOM 79 N ASP A 6 -8.902 6.616 -2.195 1.00 0.00 N ATOM 80 CA ASP A 6 -9.739 7.470 -1.306 1.00 0.00 C ATOM 81 C ASP A 6 -9.155 7.498 0.112 1.00 0.00 C ATOM 82 O ASP A 6 -9.008 8.568 0.720 1.00 0.00 O ATOM 83 CB ASP A 6 -11.209 6.967 -1.270 1.00 0.00 C ATOM 84 CG ASP A 6 -12.109 7.732 -0.270 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.149 8.978 -0.337 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.779 7.097 0.584 1.00 0.00 O ATOM 0 H ASP A 6 -9.406 5.833 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.735 8.482 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.637 7.054 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.214 5.908 -1.012 1.00 0.00 H new ATOM 91 N ARG A 7 -8.790 6.304 0.597 1.00 0.00 N ATOM 92 CA ARG A 7 -8.169 6.133 1.918 1.00 0.00 C ATOM 93 C ARG A 7 -6.781 6.795 1.959 1.00 0.00 C ATOM 94 O ARG A 7 -6.547 7.673 2.787 1.00 0.00 O ATOM 95 CB ARG A 7 -8.075 4.629 2.275 1.00 0.00 C ATOM 96 CG ARG A 7 -9.438 3.913 2.370 1.00 0.00 C ATOM 97 CD ARG A 7 -10.371 4.553 3.411 1.00 0.00 C ATOM 98 NE ARG A 7 -11.654 3.835 3.517 1.00 0.00 N ATOM 99 CZ ARG A 7 -12.873 4.397 3.466 1.00 0.00 C ATOM 100 NH1 ARG A 7 -13.022 5.695 3.204 1.00 0.00 N ATOM 101 NH2 ARG A 7 -13.936 3.637 3.642 1.00 0.00 N ATOM 0 H ARG A 7 -8.916 5.430 0.086 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.796 6.625 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.465 4.127 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.556 4.525 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.922 3.931 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.277 2.866 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.878 4.561 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.558 5.592 3.140 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.613 2.823 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.202 6.279 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.956 6.104 3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.826 2.638 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.869 4.048 3.606 1.00 0.00 H new ATOM 115 N VAL A 8 -5.901 6.400 1.015 1.00 0.00 N ATOM 116 CA VAL A 8 -4.502 6.890 0.912 1.00 0.00 C ATOM 117 C VAL A 8 -4.436 8.435 0.832 1.00 0.00 C ATOM 118 O VAL A 8 -3.660 9.065 1.553 1.00 0.00 O ATOM 119 CB VAL A 8 -3.786 6.247 -0.339 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.374 6.846 -0.592 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.707 4.710 -0.189 1.00 0.00 C ATOM 0 H VAL A 8 -6.141 5.723 0.291 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.981 6.585 1.819 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.393 6.489 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.927 6.368 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.460 7.918 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.744 6.673 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.210 4.284 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.141 4.461 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.714 4.300 -0.109 1.00 0.00 H new ATOM 131 N ALA A 9 -5.301 9.014 -0.013 1.00 0.00 N ATOM 132 CA ALA A 9 -5.391 10.471 -0.250 1.00 0.00 C ATOM 133 C ALA A 9 -5.749 11.224 1.039 1.00 0.00 C ATOM 134 O ALA A 9 -5.124 12.238 1.367 1.00 0.00 O ATOM 135 CB ALA A 9 -6.444 10.773 -1.339 1.00 0.00 C ATOM 0 H ALA A 9 -5.972 8.478 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.413 10.814 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.499 11.849 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.159 10.279 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.418 10.405 -1.016 1.00 0.00 H new ATOM 141 N THR A 10 -6.761 10.697 1.764 1.00 0.00 N ATOM 142 CA THR A 10 -7.190 11.260 3.056 1.00 0.00 C ATOM 143 C THR A 10 -6.063 11.155 4.100 1.00 0.00 C ATOM 144 O THR A 10 -5.784 12.125 4.789 1.00 0.00 O ATOM 145 CB THR A 10 -8.480 10.565 3.613 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.522 10.616 2.628 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.993 11.217 4.918 1.00 0.00 C ATOM 0 H THR A 10 -7.295 9.879 1.471 1.00 0.00 H new ATOM 0 HA THR A 10 -7.425 12.308 2.873 1.00 0.00 H new ATOM 0 HB THR A 10 -8.211 9.533 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.424 9.862 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.888 10.695 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.221 11.152 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.232 12.264 4.732 1.00 0.00 H new ATOM 155 N ILE A 11 -5.402 9.984 4.167 1.00 0.00 N ATOM 156 CA ILE A 11 -4.303 9.725 5.128 1.00 0.00 C ATOM 157 C ILE A 11 -3.147 10.723 4.923 1.00 0.00 C ATOM 158 O ILE A 11 -2.649 11.299 5.887 1.00 0.00 O ATOM 159 CB ILE A 11 -3.766 8.242 5.010 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.881 7.214 5.398 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.499 8.013 5.874 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.529 5.753 5.143 1.00 0.00 C ATOM 0 H ILE A 11 -5.611 9.191 3.561 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.711 9.860 6.130 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.488 8.084 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.114 7.336 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.787 7.456 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.164 6.982 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.708 8.688 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.732 8.208 6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.364 5.120 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.327 5.607 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.644 5.486 5.721 1.00 0.00 H new ATOM 174 N ILE A 12 -2.772 10.963 3.656 1.00 0.00 N ATOM 175 CA ILE A 12 -1.675 11.884 3.295 1.00 0.00 C ATOM 176 C ILE A 12 -2.068 13.341 3.615 1.00 0.00 C ATOM 177 O ILE A 12 -1.243 14.133 4.099 1.00 0.00 O ATOM 178 CB ILE A 12 -1.297 11.711 1.771 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.679 10.293 1.543 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.352 12.830 1.250 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.280 9.983 0.111 1.00 0.00 C ATOM 0 H ILE A 12 -3.219 10.525 2.851 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.795 11.639 3.890 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.214 11.804 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.201 10.192 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.398 9.544 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.128 12.656 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.839 13.799 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.574 12.820 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.137 8.977 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.157 10.045 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.467 10.703 -0.223 1.00 0.00 H new ATOM 193 N ALA A 13 -3.339 13.667 3.343 1.00 0.00 N ATOM 194 CA ALA A 13 -3.954 14.953 3.718 1.00 0.00 C ATOM 195 C ALA A 13 -3.881 15.203 5.244 1.00 0.00 C ATOM 196 O ALA A 13 -3.605 16.317 5.681 1.00 0.00 O ATOM 197 CB ALA A 13 -5.414 14.992 3.229 1.00 0.00 C ATOM 0 H ALA A 13 -3.977 13.041 2.852 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.391 15.752 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.866 15.944 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.438 14.883 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.973 14.177 3.688 1.00 0.00 H new ATOM 203 N GLU A 14 -4.120 14.142 6.031 1.00 0.00 N ATOM 204 CA GLU A 14 -4.085 14.193 7.509 1.00 0.00 C ATOM 205 C GLU A 14 -2.642 14.135 8.057 1.00 0.00 C ATOM 206 O GLU A 14 -2.399 14.544 9.201 1.00 0.00 O ATOM 207 CB GLU A 14 -4.926 13.034 8.115 1.00 0.00 C ATOM 208 CG GLU A 14 -6.414 13.011 7.706 1.00 0.00 C ATOM 209 CD GLU A 14 -7.160 14.324 7.990 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.508 14.583 9.161 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.408 15.104 7.041 1.00 0.00 O ATOM 0 H GLU A 14 -4.345 13.218 5.662 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.517 15.148 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.472 12.087 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.866 13.094 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.484 12.788 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.913 12.199 8.235 1.00 0.00 H new ATOM 218 N THR A 15 -1.704 13.595 7.260 1.00 0.00 N ATOM 219 CA THR A 15 -0.283 13.496 7.637 1.00 0.00 C ATOM 220 C THR A 15 0.442 14.847 7.452 1.00 0.00 C ATOM 221 O THR A 15 0.900 15.446 8.426 1.00 0.00 O ATOM 222 CB THR A 15 0.449 12.382 6.807 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.134 11.095 7.079 1.00 0.00 O ATOM 224 CG2 THR A 15 1.960 12.314 7.104 1.00 0.00 C ATOM 0 H THR A 15 -1.909 13.215 6.336 1.00 0.00 H new ATOM 0 HA THR A 15 -0.249 13.225 8.692 1.00 0.00 H new ATOM 0 HB THR A 15 0.323 12.646 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.030 11.052 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.414 11.527 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.422 13.270 6.859 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.114 12.097 8.161 1.00 0.00 H new ATOM 232 N CYS A 16 0.505 15.347 6.206 1.00 0.00 N ATOM 233 CA CYS A 16 1.357 16.498 5.840 1.00 0.00 C ATOM 234 C CYS A 16 0.525 17.776 5.596 1.00 0.00 C ATOM 235 O CYS A 16 1.042 18.751 5.038 1.00 0.00 O ATOM 236 CB CYS A 16 2.168 16.135 4.573 1.00 0.00 C ATOM 237 SG CYS A 16 3.233 14.692 4.765 1.00 0.00 S ATOM 0 H CYS A 16 -0.030 14.968 5.425 1.00 0.00 H new ATOM 0 HA CYS A 16 2.030 16.710 6.671 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.475 15.954 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.782 16.990 4.291 1.00 0.00 H new ATOM 0 HG CYS A 16 3.785 14.405 3.624 1.00 0.00 H new ATOM 243 N ASP A 17 -0.753 17.758 6.043 1.00 0.00 N ATOM 244 CA ASP A 17 -1.723 18.862 5.848 1.00 0.00 C ATOM 245 C ASP A 17 -1.825 19.263 4.356 1.00 0.00 C ATOM 246 O ASP A 17 -1.567 20.407 3.972 1.00 0.00 O ATOM 247 CB ASP A 17 -1.387 20.067 6.788 1.00 0.00 C ATOM 248 CG ASP A 17 -2.428 21.205 6.748 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.630 20.929 6.968 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.053 22.372 6.492 1.00 0.00 O ATOM 0 H ASP A 17 -1.144 16.967 6.555 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.715 18.511 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.302 19.703 7.812 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.413 20.470 6.511 1.00 0.00 H new ATOM 255 N ILE A 18 -2.172 18.276 3.517 1.00 0.00 N ATOM 256 CA ILE A 18 -2.314 18.467 2.060 1.00 0.00 C ATOM 257 C ILE A 18 -3.814 18.634 1.727 1.00 0.00 C ATOM 258 O ILE A 18 -4.618 17.830 2.199 1.00 0.00 O ATOM 259 CB ILE A 18 -1.709 17.245 1.253 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.249 16.930 1.713 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.762 17.495 -0.280 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.766 18.043 1.482 1.00 0.00 C ATOM 0 H ILE A 18 -2.363 17.323 3.826 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.760 19.358 1.765 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.327 16.374 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.265 16.692 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.093 16.036 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.339 16.637 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.797 17.635 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.187 18.388 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.745 17.721 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.822 18.270 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.458 18.935 2.027 1.00 0.00 H new ATOM 274 N PRO A 19 -4.233 19.696 0.956 1.00 0.00 N ATOM 275 CA PRO A 19 -5.642 19.841 0.520 1.00 0.00 C ATOM 276 C PRO A 19 -6.079 18.650 -0.366 1.00 0.00 C ATOM 277 O PRO A 19 -5.448 18.374 -1.389 1.00 0.00 O ATOM 278 CB PRO A 19 -5.662 21.192 -0.253 1.00 0.00 C ATOM 279 CG PRO A 19 -4.434 21.916 0.221 1.00 0.00 C ATOM 280 CD PRO A 19 -3.405 20.834 0.477 1.00 0.00 C ATOM 0 HA PRO A 19 -6.346 19.841 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.637 21.033 -1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.566 21.760 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.081 22.625 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.639 22.486 1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.853 20.579 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.672 21.142 1.222 1.00 0.00 H new ATOM 288 N ARG A 20 -7.139 17.935 0.080 1.00 0.00 N ATOM 289 CA ARG A 20 -7.726 16.771 -0.635 1.00 0.00 C ATOM 290 C ARG A 20 -8.119 17.136 -2.086 1.00 0.00 C ATOM 291 O ARG A 20 -8.009 16.306 -2.996 1.00 0.00 O ATOM 292 CB ARG A 20 -8.969 16.231 0.147 1.00 0.00 C ATOM 293 CG ARG A 20 -9.743 15.069 -0.539 1.00 0.00 C ATOM 294 CD ARG A 20 -8.950 13.745 -0.610 1.00 0.00 C ATOM 295 NE ARG A 20 -9.608 12.777 -1.521 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.103 11.575 -1.185 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.097 11.155 0.063 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.637 10.808 -2.122 1.00 0.00 N ATOM 0 H ARG A 20 -7.617 18.150 0.955 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.968 15.990 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.639 15.893 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.660 17.058 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.673 14.896 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.015 15.373 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.936 13.943 -0.956 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.868 13.313 0.387 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.693 13.052 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.711 11.747 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.479 10.238 0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.670 11.132 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.016 9.893 -1.877 1.00 0.00 H new ATOM 312 N GLU A 21 -8.529 18.403 -2.287 1.00 0.00 N ATOM 313 CA GLU A 21 -8.958 18.927 -3.598 1.00 0.00 C ATOM 314 C GLU A 21 -7.774 18.982 -4.590 1.00 0.00 C ATOM 315 O GLU A 21 -7.956 18.783 -5.789 1.00 0.00 O ATOM 316 CB GLU A 21 -9.581 20.341 -3.404 1.00 0.00 C ATOM 317 CG GLU A 21 -8.615 21.387 -2.820 1.00 0.00 C ATOM 318 CD GLU A 21 -9.310 22.684 -2.394 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.575 23.543 -3.263 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.608 22.838 -1.188 1.00 0.00 O ATOM 0 H GLU A 21 -8.572 19.096 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.706 18.257 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.946 20.699 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.446 20.256 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.103 20.958 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.851 21.619 -3.562 1.00 0.00 H new ATOM 327 N THR A 22 -6.556 19.226 -4.056 1.00 0.00 N ATOM 328 CA THR A 22 -5.310 19.305 -4.854 1.00 0.00 C ATOM 329 C THR A 22 -4.569 17.950 -4.870 1.00 0.00 C ATOM 330 O THR A 22 -3.370 17.891 -5.168 1.00 0.00 O ATOM 331 CB THR A 22 -4.371 20.441 -4.304 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.975 20.181 -2.946 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.059 21.817 -4.364 1.00 0.00 C ATOM 0 H THR A 22 -6.408 19.374 -3.058 1.00 0.00 H new ATOM 0 HA THR A 22 -5.586 19.549 -5.880 1.00 0.00 H new ATOM 0 HB THR A 22 -3.488 20.452 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.541 19.475 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.383 22.579 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.315 22.051 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.967 21.797 -3.761 1.00 0.00 H new ATOM 341 N ILE A 23 -5.292 16.859 -4.556 1.00 0.00 N ATOM 342 CA ILE A 23 -4.763 15.491 -4.598 1.00 0.00 C ATOM 343 C ILE A 23 -5.426 14.738 -5.774 1.00 0.00 C ATOM 344 O ILE A 23 -6.610 14.426 -5.720 1.00 0.00 O ATOM 345 CB ILE A 23 -5.031 14.742 -3.229 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.222 15.402 -2.062 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.722 13.233 -3.333 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.448 14.783 -0.686 1.00 0.00 C ATOM 0 H ILE A 23 -6.268 16.907 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.684 15.522 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.093 14.841 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.160 15.344 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.481 16.460 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.918 12.754 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.355 12.784 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.675 13.094 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.844 15.309 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.502 14.865 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.160 13.732 -0.708 1.00 0.00 H new ATOM 360 N THR A 24 -4.671 14.516 -6.853 1.00 0.00 N ATOM 361 CA THR A 24 -5.098 13.659 -7.983 1.00 0.00 C ATOM 362 C THR A 24 -4.447 12.262 -7.848 1.00 0.00 C ATOM 363 O THR A 24 -3.465 12.115 -7.108 1.00 0.00 O ATOM 364 CB THR A 24 -4.699 14.306 -9.356 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.299 14.601 -9.380 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.497 15.585 -9.645 1.00 0.00 C ATOM 0 H THR A 24 -3.743 14.922 -6.976 1.00 0.00 H new ATOM 0 HA THR A 24 -6.183 13.560 -7.955 1.00 0.00 H new ATOM 0 HB THR A 24 -4.936 13.579 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.064 15.003 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.187 15.998 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.561 15.351 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.310 16.316 -8.858 1.00 0.00 H new ATOM 374 N PRO A 25 -4.976 11.199 -8.543 1.00 0.00 N ATOM 375 CA PRO A 25 -4.297 9.879 -8.612 1.00 0.00 C ATOM 376 C PRO A 25 -2.895 9.976 -9.253 1.00 0.00 C ATOM 377 O PRO A 25 -1.998 9.197 -8.934 1.00 0.00 O ATOM 378 CB PRO A 25 -5.259 9.014 -9.470 1.00 0.00 C ATOM 379 CG PRO A 25 -6.586 9.691 -9.340 1.00 0.00 C ATOM 380 CD PRO A 25 -6.277 11.166 -9.263 1.00 0.00 C ATOM 0 HA PRO A 25 -4.116 9.456 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.935 8.972 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.300 7.987 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.226 9.468 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.114 9.353 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.201 11.615 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.051 11.713 -8.724 1.00 0.00 H new ATOM 388 N GLU A 26 -2.705 11.008 -10.096 1.00 0.00 N ATOM 389 CA GLU A 26 -1.468 11.233 -10.862 1.00 0.00 C ATOM 390 C GLU A 26 -0.525 12.192 -10.104 1.00 0.00 C ATOM 391 O GLU A 26 0.476 12.656 -10.660 1.00 0.00 O ATOM 392 CB GLU A 26 -1.838 11.783 -12.273 1.00 0.00 C ATOM 393 CG GLU A 26 -2.700 13.067 -12.251 1.00 0.00 C ATOM 394 CD GLU A 26 -3.301 13.443 -13.613 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.158 12.688 -14.120 1.00 0.00 O ATOM 396 OE2 GLU A 26 -2.936 14.496 -14.183 1.00 0.00 O ATOM 0 H GLU A 26 -3.417 11.718 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.933 10.291 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.919 11.986 -12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.374 11.009 -12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.509 12.936 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.089 13.896 -11.895 1.00 0.00 H new ATOM 403 N SER A 27 -0.842 12.464 -8.818 1.00 0.00 N ATOM 404 CA SER A 27 0.014 13.284 -7.947 1.00 0.00 C ATOM 405 C SER A 27 1.256 12.483 -7.550 1.00 0.00 C ATOM 406 O SER A 27 1.143 11.359 -7.055 1.00 0.00 O ATOM 407 CB SER A 27 -0.742 13.741 -6.676 1.00 0.00 C ATOM 408 OG SER A 27 -1.736 14.700 -6.981 1.00 0.00 O ATOM 0 H SER A 27 -1.689 12.123 -8.364 1.00 0.00 H new ATOM 0 HA SER A 27 0.308 14.175 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.203 12.878 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.034 14.163 -5.962 1.00 0.00 H new ATOM 0 HG SER A 27 -2.113 14.510 -7.865 1.00 0.00 H new ATOM 414 N HIS A 28 2.432 13.056 -7.809 1.00 0.00 N ATOM 415 CA HIS A 28 3.705 12.496 -7.369 1.00 0.00 C ATOM 416 C HIS A 28 4.015 13.078 -5.984 1.00 0.00 C ATOM 417 O HIS A 28 4.002 14.301 -5.831 1.00 0.00 O ATOM 418 CB HIS A 28 4.809 12.874 -8.370 1.00 0.00 C ATOM 419 CG HIS A 28 6.095 12.135 -8.166 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.983 12.482 -7.181 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.595 11.096 -8.863 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.998 11.655 -7.310 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.808 10.799 -8.322 1.00 0.00 N ATOM 0 H HIS A 28 2.526 13.926 -8.333 1.00 0.00 H new ATOM 0 HA HIS A 28 3.654 11.409 -7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.449 12.684 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.001 13.944 -8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.122 10.594 -9.694 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.874 11.665 -6.679 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.448 10.066 -8.628 1.00 0.00 H new ATOM 431 N ALA A 29 4.262 12.213 -4.989 1.00 0.00 N ATOM 432 CA ALA A 29 4.542 12.612 -3.595 1.00 0.00 C ATOM 433 C ALA A 29 5.579 13.740 -3.475 1.00 0.00 C ATOM 434 O ALA A 29 5.344 14.702 -2.759 1.00 0.00 O ATOM 435 CB ALA A 29 4.986 11.388 -2.784 1.00 0.00 C ATOM 0 H ALA A 29 4.274 11.203 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 29 3.613 13.013 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.191 11.687 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.194 10.639 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.889 10.966 -3.226 1.00 0.00 H new ATOM 441 N ILE A 30 6.669 13.668 -4.255 1.00 0.00 N ATOM 442 CA ILE A 30 7.811 14.596 -4.102 1.00 0.00 C ATOM 443 C ILE A 30 7.678 15.753 -5.113 1.00 0.00 C ATOM 444 O ILE A 30 7.746 16.934 -4.745 1.00 0.00 O ATOM 445 CB ILE A 30 9.197 13.870 -4.325 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.316 12.589 -3.439 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.391 14.833 -4.056 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.602 11.801 -3.641 1.00 0.00 C ATOM 0 H ILE A 30 6.788 12.979 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 30 7.790 14.978 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 30 9.237 13.564 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.243 12.879 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.468 11.937 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.330 14.303 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.333 15.684 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.348 15.187 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.601 10.929 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.670 11.476 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.457 12.433 -3.402 1.00 0.00 H new ATOM 460 N ASP A 31 7.439 15.378 -6.383 1.00 0.00 N ATOM 461 CA ASP A 31 7.533 16.292 -7.542 1.00 0.00 C ATOM 462 C ASP A 31 6.286 17.196 -7.664 1.00 0.00 C ATOM 463 O ASP A 31 6.374 18.327 -8.161 1.00 0.00 O ATOM 464 CB ASP A 31 7.748 15.453 -8.834 1.00 0.00 C ATOM 465 CG ASP A 31 8.030 16.295 -10.093 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.086 16.964 -10.142 1.00 0.00 O ATOM 467 OD2 ASP A 31 7.211 16.281 -11.038 1.00 0.00 O ATOM 0 H ASP A 31 7.173 14.427 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 31 8.384 16.957 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.581 14.768 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.862 14.843 -9.009 1.00 0.00 H new ATOM 472 N ASP A 32 5.128 16.692 -7.196 1.00 0.00 N ATOM 473 CA ASP A 32 3.854 17.443 -7.215 1.00 0.00 C ATOM 474 C ASP A 32 3.502 17.936 -5.797 1.00 0.00 C ATOM 475 O ASP A 32 3.540 19.136 -5.537 1.00 0.00 O ATOM 476 CB ASP A 32 2.707 16.574 -7.803 1.00 0.00 C ATOM 477 CG ASP A 32 1.347 17.301 -7.821 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.228 18.318 -8.527 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.405 16.873 -7.118 1.00 0.00 O ATOM 0 H ASP A 32 5.047 15.757 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 32 3.976 18.313 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.968 16.278 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.616 15.659 -7.218 1.00 0.00 H new ATOM 484 N LEU A 33 3.204 16.991 -4.879 1.00 0.00 N ATOM 485 CA LEU A 33 2.710 17.302 -3.515 1.00 0.00 C ATOM 486 C LEU A 33 3.758 18.043 -2.657 1.00 0.00 C ATOM 487 O LEU A 33 3.393 18.747 -1.712 1.00 0.00 O ATOM 488 CB LEU A 33 2.272 16.001 -2.790 1.00 0.00 C ATOM 489 CG LEU A 33 1.122 15.182 -3.458 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.855 13.877 -2.676 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.168 16.030 -3.612 1.00 0.00 C ATOM 0 H LEU A 33 3.298 15.992 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 33 1.855 17.967 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.143 15.352 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.961 16.263 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 33 1.445 14.910 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.050 13.322 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.759 13.269 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.567 14.118 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.946 15.427 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.506 16.359 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.041 16.900 -4.234 1.00 0.00 H new ATOM 503 N GLY A 34 5.055 17.887 -3.000 1.00 0.00 N ATOM 504 CA GLY A 34 6.149 18.477 -2.219 1.00 0.00 C ATOM 505 C GLY A 34 6.324 17.803 -0.865 1.00 0.00 C ATOM 506 O GLY A 34 6.336 18.454 0.180 1.00 0.00 O ATOM 0 H GLY A 34 5.364 17.356 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.078 18.399 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.954 19.539 -2.071 1.00 0.00 H new ATOM 510 N ILE A 35 6.431 16.479 -0.913 1.00 0.00 N ATOM 511 CA ILE A 35 6.632 15.608 0.251 1.00 0.00 C ATOM 512 C ILE A 35 7.872 14.758 -0.033 1.00 0.00 C ATOM 513 O ILE A 35 7.838 13.907 -0.922 1.00 0.00 O ATOM 514 CB ILE A 35 5.377 14.664 0.485 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.090 15.502 0.735 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.615 13.653 1.637 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.811 14.687 0.824 1.00 0.00 C ATOM 0 H ILE A 35 6.379 15.961 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 35 6.759 16.210 1.151 1.00 0.00 H new ATOM 0 HB ILE A 35 5.236 14.084 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.212 16.064 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.985 16.231 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.731 13.028 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.473 13.024 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.809 14.195 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.966 15.353 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.659 14.146 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.889 13.976 1.647 1.00 0.00 H new ATOM 529 N ASP A 36 8.959 14.991 0.716 1.00 0.00 N ATOM 530 CA ASP A 36 10.244 14.293 0.500 1.00 0.00 C ATOM 531 C ASP A 36 10.112 12.826 0.956 1.00 0.00 C ATOM 532 O ASP A 36 9.186 12.501 1.697 1.00 0.00 O ATOM 533 CB ASP A 36 11.375 15.026 1.275 1.00 0.00 C ATOM 534 CG ASP A 36 12.787 14.488 0.975 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.234 13.551 1.663 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.443 15.002 0.043 1.00 0.00 O ATOM 0 H ASP A 36 8.978 15.662 1.484 1.00 0.00 H new ATOM 0 HA ASP A 36 10.500 14.302 -0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.341 16.087 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.184 14.940 2.345 1.00 0.00 H new ATOM 541 N SER A 37 11.042 11.951 0.522 1.00 0.00 N ATOM 542 CA SER A 37 11.009 10.511 0.849 1.00 0.00 C ATOM 543 C SER A 37 11.079 10.272 2.379 1.00 0.00 C ATOM 544 O SER A 37 10.541 9.284 2.889 1.00 0.00 O ATOM 545 CB SER A 37 12.171 9.785 0.151 1.00 0.00 C ATOM 546 OG SER A 37 12.329 10.242 -1.193 1.00 0.00 O ATOM 0 H SER A 37 11.833 12.221 -0.062 1.00 0.00 H new ATOM 0 HA SER A 37 10.061 10.110 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.094 9.952 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.987 8.711 0.154 1.00 0.00 H new ATOM 0 HG SER A 37 13.075 9.767 -1.615 1.00 0.00 H new ATOM 551 N LEU A 38 11.751 11.197 3.089 1.00 0.00 N ATOM 552 CA LEU A 38 11.859 11.181 4.563 1.00 0.00 C ATOM 553 C LEU A 38 10.481 11.417 5.207 1.00 0.00 C ATOM 554 O LEU A 38 10.110 10.749 6.179 1.00 0.00 O ATOM 555 CB LEU A 38 12.872 12.251 5.028 1.00 0.00 C ATOM 556 CG LEU A 38 14.330 12.042 4.520 1.00 0.00 C ATOM 557 CD1 LEU A 38 15.232 13.220 4.925 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.906 10.692 5.014 1.00 0.00 C ATOM 0 H LEU A 38 12.238 11.982 2.655 1.00 0.00 H new ATOM 0 HA LEU A 38 12.216 10.202 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.524 13.229 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.882 12.271 6.118 1.00 0.00 H new ATOM 0 HG LEU A 38 14.303 12.008 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.243 13.047 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.842 14.142 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.251 13.307 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.924 10.574 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.912 10.676 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.288 9.875 4.642 1.00 0.00 H new ATOM 570 N ASP A 39 9.735 12.382 4.643 1.00 0.00 N ATOM 571 CA ASP A 39 8.335 12.665 5.038 1.00 0.00 C ATOM 572 C ASP A 39 7.420 11.512 4.599 1.00 0.00 C ATOM 573 O ASP A 39 6.410 11.228 5.245 1.00 0.00 O ATOM 574 CB ASP A 39 7.848 13.996 4.408 1.00 0.00 C ATOM 575 CG ASP A 39 8.678 15.213 4.842 1.00 0.00 C ATOM 576 OD1 ASP A 39 9.792 15.407 4.303 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.217 15.990 5.709 1.00 0.00 O ATOM 0 H ASP A 39 10.081 12.990 3.901 1.00 0.00 H new ATOM 0 HA ASP A 39 8.295 12.759 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.883 13.910 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.806 14.160 4.682 1.00 0.00 H new ATOM 582 N PHE A 40 7.826 10.827 3.511 1.00 0.00 N ATOM 583 CA PHE A 40 7.067 9.724 2.900 1.00 0.00 C ATOM 584 C PHE A 40 7.184 8.443 3.752 1.00 0.00 C ATOM 585 O PHE A 40 6.376 7.524 3.610 1.00 0.00 O ATOM 586 CB PHE A 40 7.538 9.492 1.442 1.00 0.00 C ATOM 587 CG PHE A 40 6.554 8.724 0.564 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.298 9.254 0.280 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.891 7.492 0.001 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.410 8.576 -0.532 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.001 6.815 -0.811 1.00 0.00 C ATOM 592 CZ PHE A 40 4.765 7.359 -1.078 1.00 0.00 C ATOM 0 H PHE A 40 8.701 11.029 3.028 1.00 0.00 H new ATOM 0 HA PHE A 40 6.012 9.996 2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.735 10.460 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.484 8.950 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.015 10.208 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.861 7.062 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.438 8.998 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.275 5.860 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.071 6.832 -1.716 1.00 0.00 H new ATOM 602 N LEU A 41 8.209 8.399 4.623 1.00 0.00 N ATOM 603 CA LEU A 41 8.334 7.366 5.671 1.00 0.00 C ATOM 604 C LEU A 41 7.145 7.487 6.642 1.00 0.00 C ATOM 605 O LEU A 41 6.440 6.514 6.900 1.00 0.00 O ATOM 606 CB LEU A 41 9.671 7.523 6.460 1.00 0.00 C ATOM 607 CG LEU A 41 10.986 7.380 5.631 1.00 0.00 C ATOM 608 CD1 LEU A 41 12.230 7.701 6.494 1.00 0.00 C ATOM 609 CD2 LEU A 41 11.092 5.980 4.991 1.00 0.00 C ATOM 0 H LEU A 41 8.972 9.076 4.621 1.00 0.00 H new ATOM 0 HA LEU A 41 8.334 6.385 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.673 8.503 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.687 6.780 7.257 1.00 0.00 H new ATOM 0 HG LEU A 41 10.950 8.110 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.130 7.593 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.162 8.724 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.275 7.013 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.018 5.910 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.090 5.221 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.243 5.818 4.327 1.00 0.00 H new ATOM 621 N ASP A 42 6.924 8.731 7.132 1.00 0.00 N ATOM 622 CA ASP A 42 5.848 9.068 8.104 1.00 0.00 C ATOM 623 C ASP A 42 4.452 8.848 7.471 1.00 0.00 C ATOM 624 O ASP A 42 3.519 8.348 8.128 1.00 0.00 O ATOM 625 CB ASP A 42 6.023 10.538 8.582 1.00 0.00 C ATOM 626 CG ASP A 42 5.106 10.919 9.766 1.00 0.00 C ATOM 627 OD1 ASP A 42 5.512 10.723 10.932 1.00 0.00 O ATOM 628 OD2 ASP A 42 3.986 11.421 9.544 1.00 0.00 O ATOM 0 H ASP A 42 7.490 9.536 6.864 1.00 0.00 H new ATOM 0 HA ASP A 42 5.924 8.408 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.062 10.695 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.821 11.209 7.747 1.00 0.00 H new ATOM 633 N ILE A 43 4.349 9.222 6.169 1.00 0.00 N ATOM 634 CA ILE A 43 3.195 8.901 5.290 1.00 0.00 C ATOM 635 C ILE A 43 2.896 7.394 5.358 1.00 0.00 C ATOM 636 O ILE A 43 1.770 6.971 5.645 1.00 0.00 O ATOM 637 CB ILE A 43 3.507 9.288 3.784 1.00 0.00 C ATOM 638 CG1 ILE A 43 3.693 10.831 3.596 1.00 0.00 C ATOM 639 CG2 ILE A 43 2.448 8.722 2.802 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.429 11.645 3.586 1.00 0.00 C ATOM 0 H ILE A 43 5.074 9.761 5.695 1.00 0.00 H new ATOM 0 HA ILE A 43 2.335 9.475 5.636 1.00 0.00 H new ATOM 0 HB ILE A 43 4.459 8.817 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.335 11.201 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.221 11.003 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.704 9.013 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.429 7.635 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.466 9.120 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.675 12.698 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.789 11.313 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.905 11.515 4.533 1.00 0.00 H new ATOM 652 N ALA A 44 3.959 6.600 5.150 1.00 0.00 N ATOM 653 CA ALA A 44 3.863 5.150 5.011 1.00 0.00 C ATOM 654 C ALA A 44 3.600 4.457 6.347 1.00 0.00 C ATOM 655 O ALA A 44 3.054 3.382 6.338 1.00 0.00 O ATOM 656 CB ALA A 44 5.141 4.595 4.392 1.00 0.00 C ATOM 0 H ALA A 44 4.912 6.955 5.074 1.00 0.00 H new ATOM 0 HA ALA A 44 3.015 4.946 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.057 3.513 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.291 5.038 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.990 4.836 5.032 1.00 0.00 H new ATOM 662 N PHE A 45 4.026 5.064 7.479 1.00 0.00 N ATOM 663 CA PHE A 45 3.727 4.545 8.839 1.00 0.00 C ATOM 664 C PHE A 45 2.208 4.569 9.072 1.00 0.00 C ATOM 665 O PHE A 45 1.615 3.588 9.542 1.00 0.00 O ATOM 666 CB PHE A 45 4.456 5.375 9.950 1.00 0.00 C ATOM 667 CG PHE A 45 5.901 4.964 10.221 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.174 3.780 10.904 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.975 5.755 9.824 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.469 3.398 11.173 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.278 5.370 10.090 1.00 0.00 C ATOM 672 CZ PHE A 45 8.523 4.193 10.770 1.00 0.00 C ATOM 0 H PHE A 45 4.582 5.919 7.479 1.00 0.00 H new ATOM 0 HA PHE A 45 4.095 3.521 8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.441 6.427 9.665 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.890 5.288 10.877 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.357 3.152 11.227 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.790 6.682 9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.661 2.475 11.700 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.102 5.989 9.766 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.538 3.895 10.986 1.00 0.00 H new ATOM 682 N ALA A 46 1.600 5.702 8.692 1.00 0.00 N ATOM 683 CA ALA A 46 0.155 5.923 8.835 1.00 0.00 C ATOM 684 C ALA A 46 -0.661 4.962 7.939 1.00 0.00 C ATOM 685 O ALA A 46 -1.613 4.332 8.403 1.00 0.00 O ATOM 686 CB ALA A 46 -0.178 7.384 8.517 1.00 0.00 C ATOM 0 H ALA A 46 2.097 6.490 8.277 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.124 5.711 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.251 7.544 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.357 8.037 9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.122 7.611 7.494 1.00 0.00 H new ATOM 692 N ILE A 47 -0.243 4.838 6.664 1.00 0.00 N ATOM 693 CA ILE A 47 -0.913 3.966 5.669 1.00 0.00 C ATOM 694 C ILE A 47 -0.770 2.474 6.044 1.00 0.00 C ATOM 695 O ILE A 47 -1.747 1.714 5.990 1.00 0.00 O ATOM 696 CB ILE A 47 -0.338 4.208 4.222 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.568 5.683 3.759 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.948 3.217 3.206 1.00 0.00 C ATOM 699 CD1 ILE A 47 -0.027 6.020 2.372 1.00 0.00 C ATOM 0 H ILE A 47 0.566 5.336 6.292 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.971 4.227 5.674 1.00 0.00 H new ATOM 0 HB ILE A 47 0.737 4.032 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.638 5.889 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.104 6.351 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.532 3.408 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.713 2.196 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.030 3.346 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.236 7.065 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.050 5.853 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.508 5.383 1.629 1.00 0.00 H new ATOM 711 N ASP A 48 0.465 2.097 6.420 1.00 0.00 N ATOM 712 CA ASP A 48 0.853 0.723 6.823 1.00 0.00 C ATOM 713 C ASP A 48 -0.134 0.161 7.851 1.00 0.00 C ATOM 714 O ASP A 48 -0.832 -0.836 7.604 1.00 0.00 O ATOM 715 CB ASP A 48 2.277 0.788 7.439 1.00 0.00 C ATOM 716 CG ASP A 48 2.925 -0.552 7.811 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.696 -1.056 8.937 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.721 -1.065 7.009 1.00 0.00 O ATOM 0 H ASP A 48 1.245 2.753 6.455 1.00 0.00 H new ATOM 0 HA ASP A 48 0.841 0.066 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.931 1.298 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.233 1.406 8.336 1.00 0.00 H new ATOM 723 N LYS A 49 -0.226 0.879 8.977 1.00 0.00 N ATOM 724 CA LYS A 49 -1.028 0.485 10.135 1.00 0.00 C ATOM 725 C LYS A 49 -2.538 0.566 9.833 1.00 0.00 C ATOM 726 O LYS A 49 -3.311 -0.278 10.307 1.00 0.00 O ATOM 727 CB LYS A 49 -0.635 1.368 11.348 1.00 0.00 C ATOM 728 CG LYS A 49 0.875 1.287 11.696 1.00 0.00 C ATOM 729 CD LYS A 49 1.285 2.239 12.835 1.00 0.00 C ATOM 730 CE LYS A 49 2.807 2.254 13.082 1.00 0.00 C ATOM 731 NZ LYS A 49 3.190 3.238 14.129 1.00 0.00 N ATOM 0 H LYS A 49 0.264 1.764 9.108 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.820 -0.558 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.898 2.404 11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.219 1.063 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.122 0.264 11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.460 1.521 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.950 3.249 12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.776 1.942 13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.136 1.259 13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.323 2.494 12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.221 3.217 14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.899 4.191 13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.718 2.995 15.023 1.00 0.00 H new ATOM 745 N ALA A 50 -2.941 1.580 9.026 1.00 0.00 N ATOM 746 CA ALA A 50 -4.349 1.780 8.608 1.00 0.00 C ATOM 747 C ALA A 50 -4.921 0.544 7.879 1.00 0.00 C ATOM 748 O ALA A 50 -5.938 -0.018 8.300 1.00 0.00 O ATOM 749 CB ALA A 50 -4.468 3.031 7.714 1.00 0.00 C ATOM 0 H ALA A 50 -2.301 2.279 8.649 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.940 1.926 9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.507 3.166 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.133 3.908 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.848 2.904 6.827 1.00 0.00 H new ATOM 755 N PHE A 51 -4.244 0.123 6.797 1.00 0.00 N ATOM 756 CA PHE A 51 -4.670 -1.027 5.968 1.00 0.00 C ATOM 757 C PHE A 51 -4.283 -2.382 6.606 1.00 0.00 C ATOM 758 O PHE A 51 -4.691 -3.442 6.100 1.00 0.00 O ATOM 759 CB PHE A 51 -4.058 -0.915 4.549 1.00 0.00 C ATOM 760 CG PHE A 51 -4.636 0.195 3.673 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.214 1.517 3.811 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.587 -0.092 2.695 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.717 2.511 2.990 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.084 0.899 1.876 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.652 2.199 2.025 1.00 0.00 C ATOM 0 H PHE A 51 -3.386 0.567 6.469 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.758 -0.996 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.984 -0.756 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.194 -1.867 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.486 1.768 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.940 -1.106 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.378 3.530 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.813 0.656 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.046 2.975 1.385 1.00 0.00 H new ATOM 775 N GLY A 52 -3.504 -2.345 7.711 1.00 0.00 N ATOM 776 CA GLY A 52 -3.046 -3.563 8.401 1.00 0.00 C ATOM 777 C GLY A 52 -2.075 -4.403 7.569 1.00 0.00 C ATOM 778 O GLY A 52 -2.009 -5.626 7.722 1.00 0.00 O ATOM 0 H GLY A 52 -3.181 -1.479 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.562 -3.282 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.912 -4.172 8.660 1.00 0.00 H new ATOM 782 N ILE A 53 -1.328 -3.729 6.679 1.00 0.00 N ATOM 783 CA ILE A 53 -0.349 -4.361 5.765 1.00 0.00 C ATOM 784 C ILE A 53 1.055 -3.860 6.089 1.00 0.00 C ATOM 785 O ILE A 53 1.209 -2.940 6.892 1.00 0.00 O ATOM 786 CB ILE A 53 -0.744 -4.099 4.250 1.00 0.00 C ATOM 787 CG1 ILE A 53 -1.019 -2.574 3.927 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.974 -4.950 3.886 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.194 -1.676 3.755 1.00 0.00 C ATOM 0 H ILE A 53 -1.384 -2.717 6.569 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.361 -5.441 5.912 1.00 0.00 H new ATOM 0 HB ILE A 53 0.113 -4.390 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.611 -2.523 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.634 -2.163 4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.246 -4.770 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.739 -6.006 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.809 -4.677 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.134 -0.659 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.782 -1.679 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.805 -2.044 2.931 1.00 0.00 H new ATOM 801 N LYS A 54 2.085 -4.452 5.469 1.00 0.00 N ATOM 802 CA LYS A 54 3.466 -4.005 5.659 1.00 0.00 C ATOM 803 C LYS A 54 4.033 -3.481 4.331 1.00 0.00 C ATOM 804 O LYS A 54 4.199 -4.252 3.384 1.00 0.00 O ATOM 805 CB LYS A 54 4.357 -5.139 6.232 1.00 0.00 C ATOM 806 CG LYS A 54 5.732 -4.624 6.721 1.00 0.00 C ATOM 807 CD LYS A 54 5.613 -3.693 7.972 1.00 0.00 C ATOM 808 CE LYS A 54 6.736 -2.647 8.064 1.00 0.00 C ATOM 809 NZ LYS A 54 6.642 -1.634 6.975 1.00 0.00 N ATOM 0 H LYS A 54 1.985 -5.242 4.832 1.00 0.00 H new ATOM 0 HA LYS A 54 3.466 -3.195 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.838 -5.621 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.509 -5.899 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.369 -5.474 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.221 -4.080 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.651 -3.181 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.622 -4.305 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.687 -2.146 9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.703 -3.147 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.229 -0.810 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.979 -2.050 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.652 -1.334 6.865 1.00 0.00 H new ATOM 823 N LEU A 55 4.297 -2.159 4.252 1.00 0.00 N ATOM 824 CA LEU A 55 4.962 -1.539 3.098 1.00 0.00 C ATOM 825 C LEU A 55 6.492 -1.720 3.201 1.00 0.00 C ATOM 826 O LEU A 55 7.082 -1.356 4.228 1.00 0.00 O ATOM 827 CB LEU A 55 4.621 -0.017 3.033 1.00 0.00 C ATOM 828 CG LEU A 55 3.117 0.341 2.811 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.872 1.865 2.903 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.596 -0.234 1.468 1.00 0.00 C ATOM 0 H LEU A 55 4.053 -1.497 4.988 1.00 0.00 H new ATOM 0 HA LEU A 55 4.604 -2.027 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.951 0.449 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.203 0.431 2.227 1.00 0.00 H new ATOM 0 HG LEU A 55 2.549 -0.126 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.814 2.074 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.167 2.222 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.462 2.375 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.546 0.031 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.177 0.181 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.698 -1.319 1.473 1.00 0.00 H new ATOM 842 N PRO A 56 7.161 -2.302 2.157 1.00 0.00 N ATOM 843 CA PRO A 56 8.634 -2.255 2.028 1.00 0.00 C ATOM 844 C PRO A 56 9.101 -0.889 1.485 1.00 0.00 C ATOM 845 O PRO A 56 9.759 -0.809 0.447 1.00 0.00 O ATOM 846 CB PRO A 56 8.930 -3.425 1.056 1.00 0.00 C ATOM 847 CG PRO A 56 7.715 -3.516 0.189 1.00 0.00 C ATOM 848 CD PRO A 56 6.543 -3.102 1.061 1.00 0.00 C ATOM 0 HA PRO A 56 9.166 -2.360 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.825 -3.231 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.101 -4.356 1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.805 -2.862 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.581 -4.530 -0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.818 -2.513 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.013 -3.970 1.453 1.00 0.00 H new ATOM 856 N LEU A 57 8.779 0.180 2.242 1.00 0.00 N ATOM 857 CA LEU A 57 8.975 1.579 1.814 1.00 0.00 C ATOM 858 C LEU A 57 10.473 1.886 1.676 1.00 0.00 C ATOM 859 O LEU A 57 10.886 2.496 0.692 1.00 0.00 O ATOM 860 CB LEU A 57 8.288 2.556 2.834 1.00 0.00 C ATOM 861 CG LEU A 57 7.901 3.998 2.331 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.107 4.910 2.032 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.943 3.909 1.129 1.00 0.00 C ATOM 0 H LEU A 57 8.373 0.095 3.174 1.00 0.00 H new ATOM 0 HA LEU A 57 8.510 1.723 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.380 2.075 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.954 2.668 3.689 1.00 0.00 H new ATOM 0 HG LEU A 57 7.387 4.481 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.752 5.883 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.700 5.037 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.723 4.456 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.685 4.914 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.428 3.369 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.036 3.382 1.425 1.00 0.00 H new ATOM 875 N GLU A 58 11.271 1.441 2.667 1.00 0.00 N ATOM 876 CA GLU A 58 12.732 1.661 2.672 1.00 0.00 C ATOM 877 C GLU A 58 13.389 0.983 1.460 1.00 0.00 C ATOM 878 O GLU A 58 14.326 1.532 0.873 1.00 0.00 O ATOM 879 CB GLU A 58 13.388 1.159 3.991 1.00 0.00 C ATOM 880 CG GLU A 58 13.005 1.956 5.263 1.00 0.00 C ATOM 881 CD GLU A 58 11.609 1.624 5.823 1.00 0.00 C ATOM 882 OE1 GLU A 58 11.499 0.660 6.606 1.00 0.00 O ATOM 883 OE2 GLU A 58 10.619 2.307 5.475 1.00 0.00 O ATOM 0 H GLU A 58 10.927 0.925 3.477 1.00 0.00 H new ATOM 0 HA GLU A 58 12.897 2.737 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.114 0.115 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.471 1.191 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.749 1.763 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.049 3.021 5.037 1.00 0.00 H new ATOM 890 N LYS A 59 12.852 -0.192 1.073 1.00 0.00 N ATOM 891 CA LYS A 59 13.296 -0.911 -0.135 1.00 0.00 C ATOM 892 C LYS A 59 12.991 -0.053 -1.379 1.00 0.00 C ATOM 893 O LYS A 59 13.874 0.183 -2.202 1.00 0.00 O ATOM 894 CB LYS A 59 12.607 -2.302 -0.245 1.00 0.00 C ATOM 895 CG LYS A 59 12.899 -3.067 -1.563 1.00 0.00 C ATOM 896 CD LYS A 59 12.223 -4.468 -1.649 1.00 0.00 C ATOM 897 CE LYS A 59 12.960 -5.580 -0.868 1.00 0.00 C ATOM 898 NZ LYS A 59 12.945 -5.383 0.601 1.00 0.00 N ATOM 0 H LYS A 59 12.106 -0.664 1.584 1.00 0.00 H new ATOM 0 HA LYS A 59 14.370 -1.083 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.927 -2.918 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.530 -2.167 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.563 -2.461 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.977 -3.189 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.203 -4.390 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.154 -4.761 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.502 -6.541 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.994 -5.628 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.953 -6.308 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.785 -4.840 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.087 -4.862 0.873 1.00 0.00 H new ATOM 912 N TRP A 60 11.742 0.463 -1.443 1.00 0.00 N ATOM 913 CA TRP A 60 11.246 1.308 -2.557 1.00 0.00 C ATOM 914 C TRP A 60 12.094 2.582 -2.716 1.00 0.00 C ATOM 915 O TRP A 60 12.385 3.007 -3.837 1.00 0.00 O ATOM 916 CB TRP A 60 9.754 1.701 -2.326 1.00 0.00 C ATOM 917 CG TRP A 60 8.774 0.551 -2.335 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.010 -0.747 -2.688 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.382 0.618 -1.988 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.862 -1.483 -2.577 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.849 -0.672 -2.150 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.541 1.643 -1.558 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.518 -0.966 -1.893 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.217 1.351 -1.302 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.716 0.055 -1.470 1.00 0.00 C ATOM 0 H TRP A 60 11.043 0.304 -0.717 1.00 0.00 H new ATOM 0 HA TRP A 60 11.328 0.721 -3.472 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.675 2.216 -1.369 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.460 2.414 -3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.965 -1.136 -3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.776 -2.479 -2.781 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.918 2.646 -1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.130 -1.966 -2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.556 2.136 -0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.675 -0.141 -1.261 1.00 0.00 H new ATOM 936 N THR A 61 12.496 3.160 -1.571 1.00 0.00 N ATOM 937 CA THR A 61 13.274 4.404 -1.526 1.00 0.00 C ATOM 938 C THR A 61 14.700 4.174 -2.069 1.00 0.00 C ATOM 939 O THR A 61 15.253 5.035 -2.761 1.00 0.00 O ATOM 940 CB THR A 61 13.335 4.982 -0.071 1.00 0.00 C ATOM 941 OG1 THR A 61 12.001 5.173 0.440 1.00 0.00 O ATOM 942 CG2 THR A 61 14.091 6.324 -0.008 1.00 0.00 C ATOM 0 H THR A 61 12.289 2.774 -0.650 1.00 0.00 H new ATOM 0 HA THR A 61 12.771 5.133 -2.161 1.00 0.00 H new ATOM 0 HB THR A 61 13.876 4.258 0.538 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.553 4.305 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.107 6.685 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.113 6.183 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.588 7.055 -0.641 1.00 0.00 H new ATOM 950 N GLN A 62 15.277 2.988 -1.788 1.00 0.00 N ATOM 951 CA GLN A 62 16.627 2.635 -2.258 1.00 0.00 C ATOM 952 C GLN A 62 16.593 2.283 -3.752 1.00 0.00 C ATOM 953 O GLN A 62 17.538 2.563 -4.474 1.00 0.00 O ATOM 954 CB GLN A 62 17.216 1.460 -1.440 1.00 0.00 C ATOM 955 CG GLN A 62 17.420 1.752 0.058 1.00 0.00 C ATOM 956 CD GLN A 62 18.094 0.601 0.809 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.960 -0.569 0.442 1.00 0.00 O ATOM 958 NE2 GLN A 62 18.790 0.924 1.888 1.00 0.00 N ATOM 0 H GLN A 62 14.826 2.259 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 62 17.273 3.501 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.555 0.599 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.175 1.179 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.025 2.652 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.453 1.960 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.880 1.902 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.236 0.195 2.445 1.00 0.00 H new ATOM 967 N GLU A 63 15.488 1.672 -4.204 1.00 0.00 N ATOM 968 CA GLU A 63 15.270 1.374 -5.637 1.00 0.00 C ATOM 969 C GLU A 63 15.233 2.681 -6.458 1.00 0.00 C ATOM 970 O GLU A 63 15.761 2.744 -7.567 1.00 0.00 O ATOM 971 CB GLU A 63 13.964 0.556 -5.839 1.00 0.00 C ATOM 972 CG GLU A 63 14.004 -0.852 -5.223 1.00 0.00 C ATOM 973 CD GLU A 63 12.698 -1.642 -5.409 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.756 -1.474 -4.603 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.601 -2.443 -6.366 1.00 0.00 O ATOM 0 H GLU A 63 14.725 1.371 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 63 16.103 0.768 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.131 1.108 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.764 0.468 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.825 -1.412 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.219 -0.768 -4.158 1.00 0.00 H new ATOM 982 N VAL A 64 14.633 3.716 -5.868 1.00 0.00 N ATOM 983 CA VAL A 64 14.589 5.062 -6.444 1.00 0.00 C ATOM 984 C VAL A 64 16.000 5.696 -6.487 1.00 0.00 C ATOM 985 O VAL A 64 16.477 6.095 -7.562 1.00 0.00 O ATOM 986 CB VAL A 64 13.587 5.955 -5.625 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.765 7.461 -5.926 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.127 5.486 -5.873 1.00 0.00 C ATOM 0 H VAL A 64 14.159 3.643 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 64 14.235 4.994 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 64 13.814 5.829 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.051 8.037 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.779 7.766 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.591 7.643 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.442 6.111 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.894 5.569 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.020 4.448 -5.558 1.00 0.00 H new ATOM 998 N ASN A 65 16.651 5.776 -5.310 1.00 0.00 N ATOM 999 CA ASN A 65 17.982 6.410 -5.147 1.00 0.00 C ATOM 1000 C ASN A 65 19.087 5.710 -5.969 1.00 0.00 C ATOM 1001 O ASN A 65 20.059 6.348 -6.375 1.00 0.00 O ATOM 1002 CB ASN A 65 18.375 6.468 -3.638 1.00 0.00 C ATOM 1003 CG ASN A 65 17.565 7.476 -2.793 1.00 0.00 C ATOM 1004 OD1 ASN A 65 16.295 7.696 -3.119 1.00 0.00 O flip ATOM 1005 ND2 ASN A 65 18.081 8.042 -1.827 1.00 0.00 N flip ATOM 0 H ASN A 65 16.271 5.403 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 65 17.898 7.424 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.253 5.474 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.433 6.720 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.057 7.861 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.532 8.691 -1.263 1.00 0.00 H new ATOM 1012 N ASP A 66 18.930 4.404 -6.224 1.00 0.00 N ATOM 1013 CA ASP A 66 19.906 3.604 -7.015 1.00 0.00 C ATOM 1014 C ASP A 66 19.437 3.398 -8.461 1.00 0.00 C ATOM 1015 O ASP A 66 20.077 2.670 -9.223 1.00 0.00 O ATOM 1016 CB ASP A 66 20.165 2.244 -6.323 1.00 0.00 C ATOM 1017 CG ASP A 66 20.918 2.395 -4.992 1.00 0.00 C ATOM 1018 OD1 ASP A 66 20.284 2.661 -3.952 1.00 0.00 O ATOM 1019 OD2 ASP A 66 22.159 2.264 -4.981 1.00 0.00 O ATOM 0 H ASP A 66 18.130 3.864 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 66 20.840 4.164 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.213 1.744 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.740 1.604 -6.992 1.00 0.00 H new ATOM 1024 N GLY A 67 18.326 4.061 -8.840 1.00 0.00 N ATOM 1025 CA GLY A 67 17.789 3.996 -10.206 1.00 0.00 C ATOM 1026 C GLY A 67 17.352 2.601 -10.667 1.00 0.00 C ATOM 1027 O GLY A 67 17.189 2.369 -11.871 1.00 0.00 O ATOM 0 H GLY A 67 17.782 4.651 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.935 4.669 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.546 4.369 -10.896 1.00 0.00 H new ATOM 1031 N LYS A 68 17.173 1.684 -9.705 1.00 0.00 N ATOM 1032 CA LYS A 68 16.692 0.311 -9.949 1.00 0.00 C ATOM 1033 C LYS A 68 15.240 0.351 -10.458 1.00 0.00 C ATOM 1034 O LYS A 68 14.852 -0.401 -11.356 1.00 0.00 O ATOM 1035 CB LYS A 68 16.753 -0.499 -8.631 1.00 0.00 C ATOM 1036 CG LYS A 68 18.160 -0.631 -8.003 1.00 0.00 C ATOM 1037 CD LYS A 68 18.114 -1.289 -6.600 1.00 0.00 C ATOM 1038 CE LYS A 68 17.460 -2.687 -6.607 1.00 0.00 C ATOM 1039 NZ LYS A 68 17.347 -3.256 -5.247 1.00 0.00 N ATOM 0 H LYS A 68 17.360 1.875 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 68 17.324 -0.163 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.091 -0.029 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.362 -1.499 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.796 -1.224 -8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.616 0.356 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.129 -1.371 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.563 -0.640 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.469 -2.620 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.048 -3.359 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.902 -4.195 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.295 -3.345 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.764 -2.629 -4.656 1.00 0.00 H new ATOM 1053 N ALA A 69 14.466 1.256 -9.850 1.00 0.00 N ATOM 1054 CA ALA A 69 13.062 1.500 -10.170 1.00 0.00 C ATOM 1055 C ALA A 69 12.805 3.010 -10.179 1.00 0.00 C ATOM 1056 O ALA A 69 13.359 3.742 -9.351 1.00 0.00 O ATOM 1057 CB ALA A 69 12.146 0.791 -9.158 1.00 0.00 C ATOM 0 H ALA A 69 14.812 1.855 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 69 12.838 1.095 -11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.104 0.984 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.334 -0.282 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.350 1.168 -8.156 1.00 0.00 H new ATOM 1063 N THR A 70 11.976 3.459 -11.132 1.00 0.00 N ATOM 1064 CA THR A 70 11.559 4.862 -11.263 1.00 0.00 C ATOM 1065 C THR A 70 10.660 5.270 -10.075 1.00 0.00 C ATOM 1066 O THR A 70 9.882 4.442 -9.565 1.00 0.00 O ATOM 1067 CB THR A 70 10.808 5.074 -12.627 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.651 4.637 -13.709 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.389 6.542 -12.871 1.00 0.00 C ATOM 0 H THR A 70 11.571 2.850 -11.843 1.00 0.00 H new ATOM 0 HA THR A 70 12.445 5.497 -11.252 1.00 0.00 H new ATOM 0 HB THR A 70 9.893 4.484 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.184 4.767 -14.561 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.876 6.619 -13.829 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.720 6.867 -12.074 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.275 7.176 -12.882 1.00 0.00 H new ATOM 1077 N THR A 71 10.795 6.545 -9.660 1.00 0.00 N ATOM 1078 CA THR A 71 10.040 7.159 -8.552 1.00 0.00 C ATOM 1079 C THR A 71 8.520 6.890 -8.650 1.00 0.00 C ATOM 1080 O THR A 71 7.926 6.324 -7.730 1.00 0.00 O ATOM 1081 CB THR A 71 10.269 8.703 -8.544 1.00 0.00 C ATOM 1082 OG1 THR A 71 9.898 9.248 -9.824 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.716 9.093 -8.247 1.00 0.00 C ATOM 0 H THR A 71 11.450 7.193 -10.098 1.00 0.00 H new ATOM 0 HA THR A 71 10.408 6.706 -7.632 1.00 0.00 H new ATOM 0 HB THR A 71 9.649 9.109 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.040 10.218 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.809 10.179 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.002 8.712 -7.266 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.371 8.666 -9.007 1.00 0.00 H new ATOM 1091 N GLU A 72 7.934 7.302 -9.790 1.00 0.00 N ATOM 1092 CA GLU A 72 6.488 7.211 -10.098 1.00 0.00 C ATOM 1093 C GLU A 72 5.815 5.867 -9.714 1.00 0.00 C ATOM 1094 O GLU A 72 4.672 5.857 -9.243 1.00 0.00 O ATOM 1095 CB GLU A 72 6.269 7.509 -11.604 1.00 0.00 C ATOM 1096 CG GLU A 72 6.706 8.925 -12.045 1.00 0.00 C ATOM 1097 CD GLU A 72 6.461 9.198 -13.540 1.00 0.00 C ATOM 1098 OE1 GLU A 72 5.289 9.391 -13.937 1.00 0.00 O ATOM 1099 OE2 GLU A 72 7.435 9.184 -14.332 1.00 0.00 O ATOM 0 H GLU A 72 8.469 7.722 -10.550 1.00 0.00 H new ATOM 0 HA GLU A 72 6.000 7.957 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.818 6.773 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.212 7.379 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.166 9.665 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.766 9.055 -11.828 1.00 0.00 H new ATOM 1106 N GLN A 73 6.553 4.761 -9.890 1.00 0.00 N ATOM 1107 CA GLN A 73 6.045 3.388 -9.634 1.00 0.00 C ATOM 1108 C GLN A 73 5.559 3.200 -8.176 1.00 0.00 C ATOM 1109 O GLN A 73 4.674 2.372 -7.906 1.00 0.00 O ATOM 1110 CB GLN A 73 7.127 2.330 -9.972 1.00 0.00 C ATOM 1111 CG GLN A 73 7.573 2.349 -11.443 1.00 0.00 C ATOM 1112 CD GLN A 73 8.587 1.263 -11.779 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.851 1.559 -11.559 1.00 0.00 O flip ATOM 1114 NE2 GLN A 73 8.235 0.157 -12.195 1.00 0.00 N flip ATOM 0 H GLN A 73 7.520 4.784 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 73 5.185 3.246 -10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.996 2.497 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.741 1.339 -9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.698 2.230 -12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.005 3.323 -11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.246 -0.037 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.932 -0.564 -12.380 1.00 0.00 H new ATOM 1123 N TYR A 74 6.139 3.982 -7.248 1.00 0.00 N ATOM 1124 CA TYR A 74 5.810 3.916 -5.810 1.00 0.00 C ATOM 1125 C TYR A 74 5.253 5.253 -5.285 1.00 0.00 C ATOM 1126 O TYR A 74 4.512 5.268 -4.307 1.00 0.00 O ATOM 1127 CB TYR A 74 7.071 3.530 -4.992 1.00 0.00 C ATOM 1128 CG TYR A 74 7.826 2.312 -5.539 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.191 1.069 -5.664 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.160 2.406 -5.949 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.862 -0.024 -6.161 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.829 1.309 -6.447 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.176 0.103 -6.554 1.00 0.00 C ATOM 1134 OH TYR A 74 9.845 -0.989 -7.046 1.00 0.00 O ATOM 0 H TYR A 74 6.850 4.678 -7.473 1.00 0.00 H new ATOM 0 HA TYR A 74 5.038 3.156 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.749 4.383 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.775 3.328 -3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.158 0.968 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.674 3.353 -5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.361 -0.977 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.861 1.396 -6.752 1.00 0.00 H new ATOM 0 HH TYR A 74 10.762 -0.733 -7.279 1.00 0.00 H new ATOM 1144 N PHE A 75 5.624 6.382 -5.920 1.00 0.00 N ATOM 1145 CA PHE A 75 5.359 7.738 -5.377 1.00 0.00 C ATOM 1146 C PHE A 75 4.146 8.424 -6.037 1.00 0.00 C ATOM 1147 O PHE A 75 3.681 9.446 -5.539 1.00 0.00 O ATOM 1148 CB PHE A 75 6.639 8.621 -5.515 1.00 0.00 C ATOM 1149 CG PHE A 75 7.752 8.285 -4.505 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.555 7.153 -4.648 1.00 0.00 C ATOM 1151 CD2 PHE A 75 7.987 9.108 -3.402 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.545 6.855 -3.722 1.00 0.00 C ATOM 1153 CE2 PHE A 75 8.980 8.813 -2.483 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.760 7.686 -2.644 1.00 0.00 C ATOM 0 H PHE A 75 6.112 6.386 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 75 5.106 7.622 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.035 8.511 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.359 9.668 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.404 6.498 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.382 9.992 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.149 5.969 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.144 9.466 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.536 7.456 -1.928 1.00 0.00 H new ATOM 1164 N VAL A 76 3.597 7.849 -7.121 1.00 0.00 N ATOM 1165 CA VAL A 76 2.386 8.403 -7.774 1.00 0.00 C ATOM 1166 C VAL A 76 1.179 7.710 -7.140 1.00 0.00 C ATOM 1167 O VAL A 76 1.098 6.501 -7.183 1.00 0.00 O ATOM 1168 CB VAL A 76 2.404 8.231 -9.337 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.017 8.481 -9.974 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.456 9.172 -9.959 1.00 0.00 C ATOM 0 H VAL A 76 3.965 7.007 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 76 2.341 9.480 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 76 2.670 7.195 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.084 8.350 -11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.296 7.772 -9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.692 9.497 -9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.462 9.046 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.209 10.205 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.441 8.930 -9.560 1.00 0.00 H new ATOM 1180 N LEU A 77 0.260 8.503 -6.575 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.749 8.038 -5.592 1.00 0.00 C ATOM 1182 C LEU A 77 -1.665 6.888 -6.072 1.00 0.00 C ATOM 1183 O LEU A 77 -2.182 6.148 -5.237 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.598 9.232 -5.103 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.797 10.420 -4.487 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.742 11.465 -3.882 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.263 9.941 -3.462 1.00 0.00 C ATOM 0 H LEU A 77 0.188 9.499 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.172 7.610 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.182 9.608 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.307 8.870 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.249 10.898 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.158 12.282 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.400 11.853 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.341 11.003 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.796 10.803 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.231 9.408 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.971 9.275 -3.955 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.877 6.754 -7.397 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.655 5.616 -7.968 1.00 0.00 C ATOM 1201 C LYS A 78 -1.805 4.330 -7.983 1.00 0.00 C ATOM 1202 O LYS A 78 -2.314 3.234 -7.726 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.172 5.934 -9.399 1.00 0.00 C ATOM 1204 CG LYS A 78 -2.078 6.316 -10.418 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.653 6.659 -11.805 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.593 7.202 -12.772 1.00 0.00 C ATOM 1207 NZ LYS A 78 -2.160 7.424 -14.124 1.00 0.00 N ATOM 0 H LYS A 78 -1.526 7.411 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.522 5.460 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.711 5.065 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.890 6.751 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.517 7.171 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.373 5.490 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.107 5.767 -12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.447 7.398 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.191 8.139 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.761 6.500 -12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.419 7.791 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.521 6.525 -14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.938 8.112 -14.066 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.506 4.498 -8.285 1.00 0.00 N ATOM 1222 CA ASN A 79 0.476 3.400 -8.325 1.00 0.00 C ATOM 1223 C ASN A 79 0.792 2.940 -6.900 1.00 0.00 C ATOM 1224 O ASN A 79 0.871 1.745 -6.641 1.00 0.00 O ATOM 1225 CB ASN A 79 1.769 3.852 -9.058 1.00 0.00 C ATOM 1226 CG ASN A 79 1.519 4.280 -10.506 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.612 3.777 -11.170 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.314 5.206 -11.007 1.00 0.00 N ATOM 0 H ASN A 79 -0.104 5.408 -8.510 1.00 0.00 H new ATOM 0 HA ASN A 79 0.052 2.562 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.218 4.682 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.491 3.035 -9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.185 5.523 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.057 5.605 -10.433 1.00 0.00 H new ATOM 1235 N LEU A 80 0.947 3.925 -5.992 1.00 0.00 N ATOM 1236 CA LEU A 80 1.124 3.714 -4.547 1.00 0.00 C ATOM 1237 C LEU A 80 -0.081 2.955 -3.979 1.00 0.00 C ATOM 1238 O LEU A 80 0.087 1.927 -3.332 1.00 0.00 O ATOM 1239 CB LEU A 80 1.281 5.084 -3.815 1.00 0.00 C ATOM 1240 CG LEU A 80 1.400 5.026 -2.251 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.668 4.261 -1.791 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.321 6.444 -1.629 1.00 0.00 C ATOM 0 H LEU A 80 0.952 4.911 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 80 2.027 3.125 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.167 5.582 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.425 5.709 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 80 0.545 4.459 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.709 4.246 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.632 3.238 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.555 4.760 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.406 6.371 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.135 7.057 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.366 6.902 -1.888 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.301 3.454 -4.289 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.567 2.839 -3.834 1.00 0.00 C ATOM 1256 C ALA A 81 -2.701 1.406 -4.362 1.00 0.00 C ATOM 1257 O ALA A 81 -3.215 0.533 -3.666 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.777 3.684 -4.263 1.00 0.00 C ATOM 0 H ALA A 81 -1.433 4.290 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.545 2.803 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.694 3.209 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.697 4.680 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.799 3.763 -5.350 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.195 1.177 -5.584 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.174 -0.156 -6.198 1.00 0.00 C ATOM 1266 C ALA A 82 -1.189 -1.077 -5.452 1.00 0.00 C ATOM 1267 O ALA A 82 -1.530 -2.213 -5.172 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.810 -0.063 -7.686 1.00 0.00 C ATOM 0 H ALA A 82 -1.791 1.908 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.173 -0.586 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.800 -1.062 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.547 0.551 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.824 0.388 -7.792 1.00 0.00 H new ATOM 1274 N ARG A 83 0.008 -0.546 -5.090 1.00 0.00 N ATOM 1275 CA ARG A 83 1.043 -1.300 -4.334 1.00 0.00 C ATOM 1276 C ARG A 83 0.474 -1.795 -2.992 1.00 0.00 C ATOM 1277 O ARG A 83 0.643 -2.960 -2.616 1.00 0.00 O ATOM 1278 CB ARG A 83 2.312 -0.432 -4.060 1.00 0.00 C ATOM 1279 CG ARG A 83 3.115 0.060 -5.300 1.00 0.00 C ATOM 1280 CD ARG A 83 3.640 -1.076 -6.206 1.00 0.00 C ATOM 1281 NE ARG A 83 2.581 -1.678 -7.045 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.357 -2.992 -7.210 1.00 0.00 C ATOM 1283 NH1 ARG A 83 3.075 -3.892 -6.548 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.395 -3.406 -8.012 1.00 0.00 N ATOM 0 H ARG A 83 0.282 0.411 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 83 1.333 -2.150 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.006 0.443 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.986 -1.009 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.479 0.718 -5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.960 0.657 -4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.429 -0.686 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.089 -1.851 -5.585 1.00 0.00 H new ATOM 0 HE ARG A 83 1.964 -1.037 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.806 -3.588 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.895 -4.887 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.818 -2.727 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.228 -4.405 -8.135 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.234 -0.885 -2.323 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.869 -1.128 -1.022 1.00 0.00 C ATOM 1300 C ILE A 84 -1.987 -2.176 -1.165 1.00 0.00 C ATOM 1301 O ILE A 84 -2.065 -3.110 -0.373 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.446 0.224 -0.458 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.298 1.279 -0.322 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.188 0.020 0.889 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.764 2.712 -0.213 1.00 0.00 C ATOM 0 H ILE A 84 -0.387 0.060 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.126 -1.514 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.184 0.599 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.296 1.037 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.362 1.191 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.570 0.978 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.018 -0.672 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.498 -0.390 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.100 3.370 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.331 2.979 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.398 2.823 0.667 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.814 -2.019 -2.219 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.993 -2.875 -2.477 1.00 0.00 C ATOM 1319 C ASP A 85 -3.570 -4.325 -2.815 1.00 0.00 C ATOM 1320 O ASP A 85 -4.217 -5.294 -2.383 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.847 -2.265 -3.622 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.192 -2.985 -3.818 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -7.074 -2.857 -2.940 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -6.378 -3.681 -4.837 1.00 0.00 O ATOM 0 H ASP A 85 -2.683 -1.290 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.597 -2.915 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.032 -1.212 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.280 -2.306 -4.552 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.456 -4.450 -3.561 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.829 -5.742 -3.884 1.00 0.00 C ATOM 1331 C GLU A 86 -1.341 -6.418 -2.587 1.00 0.00 C ATOM 1332 O GLU A 86 -1.489 -7.632 -2.414 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.645 -5.543 -4.876 1.00 0.00 C ATOM 1334 CG GLU A 86 -1.026 -4.993 -6.273 1.00 0.00 C ATOM 1335 CD GLU A 86 -1.853 -5.953 -7.140 1.00 0.00 C ATOM 1336 OE1 GLU A 86 -3.085 -6.058 -6.943 1.00 0.00 O ATOM 1337 OE2 GLU A 86 -1.281 -6.604 -8.040 1.00 0.00 O ATOM 0 H GLU A 86 -1.964 -3.650 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.567 -6.385 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.075 -4.863 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.140 -6.500 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.588 -4.068 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.112 -4.738 -6.809 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.791 -5.603 -1.666 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.334 -6.079 -0.351 1.00 0.00 C ATOM 1346 C LEU A 87 -1.520 -6.420 0.573 1.00 0.00 C ATOM 1347 O LEU A 87 -1.367 -7.259 1.447 1.00 0.00 O ATOM 1348 CB LEU A 87 0.614 -5.051 0.325 1.00 0.00 C ATOM 1349 CG LEU A 87 2.002 -4.865 -0.370 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.827 -3.758 0.312 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.785 -6.205 -0.429 1.00 0.00 C ATOM 0 H LEU A 87 -0.653 -4.603 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 87 0.230 -6.996 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.111 -4.085 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.781 -5.360 1.357 1.00 0.00 H new ATOM 0 HG LEU A 87 1.818 -4.547 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.786 -3.654 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.284 -2.814 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.996 -4.021 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.746 -6.044 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.950 -6.575 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.209 -6.938 -0.994 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.695 -5.763 0.381 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.931 -6.079 1.149 1.00 0.00 C ATOM 1365 C VAL A 88 -4.404 -7.507 0.814 1.00 0.00 C ATOM 1366 O VAL A 88 -4.664 -8.316 1.714 1.00 0.00 O ATOM 1367 CB VAL A 88 -5.088 -5.013 0.911 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.416 -5.437 1.598 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.651 -3.604 1.400 1.00 0.00 C ATOM 0 H VAL A 88 -2.813 -5.012 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.686 -6.026 2.210 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.270 -4.970 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.180 -4.682 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.745 -6.394 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.256 -5.533 2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.458 -2.892 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.424 -3.643 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.764 -3.287 0.851 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.443 -7.807 -0.491 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.820 -9.136 -1.014 1.00 0.00 C ATOM 1381 C ALA A 89 -3.804 -10.223 -0.579 1.00 0.00 C ATOM 1382 O ALA A 89 -4.195 -11.330 -0.183 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.948 -9.086 -2.545 1.00 0.00 C ATOM 0 H ALA A 89 -4.213 -7.133 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.788 -9.406 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.226 -10.071 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.715 -8.363 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.994 -8.789 -2.980 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.502 -9.863 -0.640 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.379 -10.767 -0.303 1.00 0.00 C ATOM 1391 C ALA A 90 -1.328 -11.086 1.203 1.00 0.00 C ATOM 1392 O ALA A 90 -1.071 -12.230 1.602 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.047 -10.136 -0.755 1.00 0.00 C ATOM 0 H ALA A 90 -2.199 -8.932 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.539 -11.707 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.776 -10.805 -0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.068 -9.974 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.094 -9.182 -0.248 1.00 0.00 H new