USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 11 SER OG : rot 148:sc= -0.598 USER MOD Set 1.2: A 13 HIS : no HE2:sc= -4.87! C(o=-5.5!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.441 (180deg=-0.522) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0408 K(o=-0.041,f=-4.1!) USER MOD Single : A 16 HIS : no HE2:sc= -6.04! C(o=-6!,f=-6.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 101:sc= 1.09! USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= -0.0268 (180deg=-0.178) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -104:sc= 1.2 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 40:sc= -0.244 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-2.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 76 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.724 11.712 -8.260 1.00 0.00 N ATOM 2 CA MET A 1 -8.633 10.245 -8.511 1.00 0.00 C ATOM 3 C MET A 1 -7.799 9.569 -7.418 1.00 0.00 C ATOM 4 O MET A 1 -6.675 9.951 -7.156 1.00 0.00 O ATOM 5 CB MET A 1 -7.938 10.116 -9.867 1.00 0.00 C ATOM 6 CG MET A 1 -8.824 10.718 -10.958 1.00 0.00 C ATOM 7 SD MET A 1 -8.191 10.236 -12.584 1.00 0.00 S ATOM 8 CE MET A 1 -8.209 11.884 -13.331 1.00 0.00 C ATOM 0 H1 MET A 1 -9.709 12.024 -8.380 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.411 11.918 -7.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.116 12.218 -8.935 1.00 0.00 H new ATOM 0 HA MET A 1 -9.612 9.766 -8.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.975 10.627 -9.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.737 9.067 -10.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.851 10.373 -10.839 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.840 11.804 -10.870 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.849 11.822 -14.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.227 12.275 -13.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.562 12.550 -12.760 1.00 0.00 H new ATOM 20 N VAL A 2 -8.337 8.563 -6.784 1.00 0.00 N ATOM 21 CA VAL A 2 -7.572 7.859 -5.715 1.00 0.00 C ATOM 22 C VAL A 2 -6.549 6.909 -6.343 1.00 0.00 C ATOM 23 O VAL A 2 -6.876 6.108 -7.195 1.00 0.00 O ATOM 24 CB VAL A 2 -8.619 7.074 -4.928 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.946 6.354 -3.758 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.681 8.037 -4.389 1.00 0.00 C ATOM 0 H VAL A 2 -9.273 8.198 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.019 8.549 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.090 6.341 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.694 5.794 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.190 5.668 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.474 7.086 -3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.428 7.477 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.209 8.770 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.162 8.551 -5.221 1.00 0.00 H new ATOM 36 N LYS A 3 -5.310 6.994 -5.937 1.00 0.00 N ATOM 37 CA LYS A 3 -4.274 6.095 -6.524 1.00 0.00 C ATOM 38 C LYS A 3 -3.306 5.610 -5.440 1.00 0.00 C ATOM 39 O LYS A 3 -2.889 6.367 -4.587 1.00 0.00 O ATOM 40 CB LYS A 3 -3.534 6.958 -7.545 1.00 0.00 C ATOM 41 CG LYS A 3 -4.532 7.547 -8.543 1.00 0.00 C ATOM 42 CD LYS A 3 -3.772 8.250 -9.668 1.00 0.00 C ATOM 43 CE LYS A 3 -4.010 7.509 -10.986 1.00 0.00 C ATOM 44 NZ LYS A 3 -3.712 8.512 -12.046 1.00 0.00 N ATOM 0 H LYS A 3 -4.972 7.644 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.715 5.206 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.997 7.759 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.790 6.359 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.162 6.757 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.193 8.253 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.105 9.284 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.706 8.276 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.361 6.637 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.037 7.150 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.852 8.080 -12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.350 9.327 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.726 8.830 -11.956 1.00 0.00 H new ATOM 58 N ILE A 4 -2.934 4.359 -5.477 1.00 0.00 N ATOM 59 CA ILE A 4 -1.982 3.840 -4.460 1.00 0.00 C ATOM 60 C ILE A 4 -0.592 3.709 -5.087 1.00 0.00 C ATOM 61 O ILE A 4 -0.435 3.167 -6.164 1.00 0.00 O ATOM 62 CB ILE A 4 -2.542 2.490 -4.029 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.823 2.719 -3.234 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.523 1.753 -3.153 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.553 1.391 -3.071 1.00 0.00 C ATOM 0 H ILE A 4 -3.249 3.677 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.876 4.501 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.752 1.885 -4.911 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.589 3.142 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.461 3.438 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.933 0.789 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.604 1.595 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.306 2.350 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.470 1.547 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.799 0.988 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.913 0.687 -2.540 1.00 0.00 H new ATOM 77 N ARG A 5 0.416 4.219 -4.432 1.00 0.00 N ATOM 78 CA ARG A 5 1.787 4.141 -5.002 1.00 0.00 C ATOM 79 C ARG A 5 2.834 4.126 -3.888 1.00 0.00 C ATOM 80 O ARG A 5 2.509 4.044 -2.723 1.00 0.00 O ATOM 81 CB ARG A 5 1.930 5.397 -5.861 1.00 0.00 C ATOM 82 CG ARG A 5 1.682 6.636 -4.998 1.00 0.00 C ATOM 83 CD ARG A 5 2.586 7.778 -5.469 1.00 0.00 C ATOM 84 NE ARG A 5 1.672 8.942 -5.655 1.00 0.00 N ATOM 85 CZ ARG A 5 0.874 9.012 -6.693 1.00 0.00 C ATOM 86 NH1 ARG A 5 0.856 8.062 -7.595 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.087 10.043 -6.830 1.00 0.00 N ATOM 0 H ARG A 5 0.347 4.686 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 5 1.938 3.230 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.927 5.439 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.220 5.368 -6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.636 6.935 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.882 6.408 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.360 7.998 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.093 7.522 -6.399 1.00 0.00 H new ATOM 0 HE ARG A 5 1.668 9.694 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.469 7.253 -7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.229 8.132 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.095 10.787 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.537 10.105 -7.635 1.00 0.00 H new ATOM 101 N LEU A 6 4.088 4.221 -4.240 1.00 0.00 N ATOM 102 CA LEU A 6 5.157 4.218 -3.204 1.00 0.00 C ATOM 103 C LEU A 6 5.440 5.641 -2.724 1.00 0.00 C ATOM 104 O LEU A 6 5.717 6.531 -3.503 1.00 0.00 O ATOM 105 CB LEU A 6 6.385 3.644 -3.908 1.00 0.00 C ATOM 106 CG LEU A 6 6.282 2.124 -3.937 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.499 1.689 -5.176 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.685 1.515 -3.977 1.00 0.00 C ATOM 0 H LEU A 6 4.417 4.301 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 6 4.875 3.637 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.453 4.035 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.293 3.949 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 6 5.765 1.779 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.425 0.602 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.498 2.120 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.014 2.035 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.609 0.428 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.206 1.860 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.241 1.823 -3.091 1.00 0.00 H new ATOM 120 N ALA A 7 5.366 5.856 -1.442 1.00 0.00 N ATOM 121 CA ALA A 7 5.623 7.212 -0.886 1.00 0.00 C ATOM 122 C ALA A 7 7.049 7.286 -0.340 1.00 0.00 C ATOM 123 O ALA A 7 7.382 6.633 0.615 1.00 0.00 O ATOM 124 CB ALA A 7 4.609 7.334 0.242 1.00 0.00 C ATOM 0 H ALA A 7 5.136 5.144 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 7 5.528 8.009 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.715 8.307 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.601 7.237 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.784 6.546 0.975 1.00 0.00 H new ATOM 130 N ARG A 8 7.900 8.057 -0.952 1.00 0.00 N ATOM 131 CA ARG A 8 9.312 8.132 -0.478 1.00 0.00 C ATOM 132 C ARG A 8 9.473 9.020 0.765 1.00 0.00 C ATOM 133 O ARG A 8 9.132 10.186 0.758 1.00 0.00 O ATOM 134 CB ARG A 8 10.074 8.748 -1.650 1.00 0.00 C ATOM 135 CG ARG A 8 11.575 8.721 -1.358 1.00 0.00 C ATOM 136 CD ARG A 8 12.188 10.075 -1.722 1.00 0.00 C ATOM 137 NE ARG A 8 13.423 9.744 -2.491 1.00 0.00 N ATOM 138 CZ ARG A 8 14.342 10.654 -2.711 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.209 11.873 -2.251 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.408 10.338 -3.397 1.00 0.00 N ATOM 0 H ARG A 8 7.681 8.640 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 8 9.675 7.147 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.862 8.196 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.743 9.774 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.748 8.503 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.054 7.927 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.499 10.673 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.422 10.655 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 8 13.554 8.798 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.381 12.127 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.933 12.568 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.521 9.390 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.128 11.039 -3.573 1.00 0.00 H new ATOM 154 N PHE A 9 10.034 8.478 1.818 1.00 0.00 N ATOM 155 CA PHE A 9 10.271 9.294 3.055 1.00 0.00 C ATOM 156 C PHE A 9 11.748 9.197 3.452 1.00 0.00 C ATOM 157 O PHE A 9 12.607 8.918 2.638 1.00 0.00 O ATOM 158 CB PHE A 9 9.445 8.676 4.192 1.00 0.00 C ATOM 159 CG PHE A 9 8.165 8.058 3.715 1.00 0.00 C ATOM 160 CD1 PHE A 9 7.028 8.845 3.521 1.00 0.00 C ATOM 161 CD2 PHE A 9 8.109 6.683 3.525 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.835 8.246 3.126 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.923 6.085 3.144 1.00 0.00 C ATOM 164 CZ PHE A 9 5.783 6.864 2.942 1.00 0.00 C ATOM 0 H PHE A 9 10.339 7.506 1.877 1.00 0.00 H new ATOM 0 HA PHE A 9 9.995 10.333 2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.043 7.917 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.218 9.446 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.074 9.913 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.993 6.081 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.954 8.848 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.878 5.015 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.857 6.395 2.642 1.00 0.00 H new ATOM 174 N GLY A 10 12.038 9.387 4.714 1.00 0.00 N ATOM 175 CA GLY A 10 13.437 9.269 5.194 1.00 0.00 C ATOM 176 C GLY A 10 14.316 10.355 4.577 1.00 0.00 C ATOM 177 O GLY A 10 14.227 10.655 3.403 1.00 0.00 O ATOM 0 H GLY A 10 11.355 9.621 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.461 9.349 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.832 8.286 4.938 1.00 0.00 H new ATOM 181 N SER A 11 15.181 10.931 5.366 1.00 0.00 N ATOM 182 CA SER A 11 16.095 11.985 4.841 1.00 0.00 C ATOM 183 C SER A 11 17.204 11.330 4.014 1.00 0.00 C ATOM 184 O SER A 11 17.150 11.291 2.801 1.00 0.00 O ATOM 185 CB SER A 11 16.696 12.669 6.077 1.00 0.00 C ATOM 186 OG SER A 11 16.544 11.828 7.213 1.00 0.00 O ATOM 0 H SER A 11 15.295 10.716 6.357 1.00 0.00 H new ATOM 0 HA SER A 11 15.575 12.699 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.752 12.882 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.202 13.625 6.252 1.00 0.00 H new ATOM 0 HG SER A 11 17.297 11.966 7.825 1.00 0.00 H new ATOM 192 N LYS A 12 18.206 10.811 4.669 1.00 0.00 N ATOM 193 CA LYS A 12 19.326 10.149 3.939 1.00 0.00 C ATOM 194 C LYS A 12 19.900 9.039 4.816 1.00 0.00 C ATOM 195 O LYS A 12 21.068 9.040 5.146 1.00 0.00 O ATOM 196 CB LYS A 12 20.381 11.240 3.718 1.00 0.00 C ATOM 197 CG LYS A 12 19.725 12.505 3.162 1.00 0.00 C ATOM 198 CD LYS A 12 20.808 13.466 2.671 1.00 0.00 C ATOM 199 CE LYS A 12 21.215 14.401 3.812 1.00 0.00 C ATOM 200 NZ LYS A 12 21.204 15.766 3.216 1.00 0.00 N ATOM 0 H LYS A 12 18.298 10.817 5.685 1.00 0.00 H new ATOM 0 HA LYS A 12 19.005 9.710 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.884 11.466 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 12 21.144 10.883 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.052 12.249 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.121 12.984 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.674 12.906 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.438 14.046 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.519 14.330 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.202 14.147 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.473 16.463 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.881 15.806 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.250 15.984 2.864 1.00 0.00 H new ATOM 214 N HIS A 13 19.083 8.108 5.223 1.00 0.00 N ATOM 215 CA HIS A 13 19.593 7.022 6.113 1.00 0.00 C ATOM 216 C HIS A 13 18.918 5.690 5.767 1.00 0.00 C ATOM 217 O HIS A 13 19.572 4.708 5.483 1.00 0.00 O ATOM 218 CB HIS A 13 19.230 7.448 7.551 1.00 0.00 C ATOM 219 CG HIS A 13 19.272 8.952 7.686 1.00 0.00 C ATOM 220 ND1 HIS A 13 20.437 9.680 7.502 1.00 0.00 N ATOM 221 CD2 HIS A 13 18.291 9.877 7.941 1.00 0.00 C ATOM 222 CE1 HIS A 13 20.126 10.981 7.643 1.00 0.00 C ATOM 223 NE2 HIS A 13 18.836 11.156 7.915 1.00 0.00 N ATOM 0 H HIS A 13 18.094 8.050 4.982 1.00 0.00 H new ATOM 0 HA HIS A 13 20.667 6.880 5.996 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.235 7.082 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 13 19.926 6.994 8.257 1.00 0.00 H new ATOM 0 HD1 HIS A 13 21.361 9.299 7.297 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.253 9.647 8.133 1.00 0.00 H new ATOM 0 HE1 HIS A 13 20.838 11.787 7.547 1.00 0.00 H new ATOM 231 N ASN A 14 17.613 5.650 5.799 1.00 0.00 N ATOM 232 CA ASN A 14 16.895 4.381 5.480 1.00 0.00 C ATOM 233 C ASN A 14 15.893 4.605 4.337 1.00 0.00 C ATOM 234 O ASN A 14 14.915 5.304 4.508 1.00 0.00 O ATOM 235 CB ASN A 14 16.157 4.016 6.768 1.00 0.00 C ATOM 236 CG ASN A 14 15.832 2.521 6.766 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.190 1.811 5.846 1.00 0.00 O ATOM 238 ND2 ASN A 14 15.164 2.009 7.762 1.00 0.00 N ATOM 0 H ASN A 14 17.013 6.441 6.032 1.00 0.00 H new ATOM 0 HA ASN A 14 17.575 3.593 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.771 4.264 7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.239 4.598 6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.942 1.013 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.863 2.604 8.534 1.00 0.00 H new ATOM 245 N PRO A 15 16.167 4.006 3.201 1.00 0.00 N ATOM 246 CA PRO A 15 15.266 4.158 2.034 1.00 0.00 C ATOM 247 C PRO A 15 14.048 3.235 2.160 1.00 0.00 C ATOM 248 O PRO A 15 14.161 2.029 2.082 1.00 0.00 O ATOM 249 CB PRO A 15 16.134 3.734 0.857 1.00 0.00 C ATOM 250 CG PRO A 15 17.169 2.816 1.432 1.00 0.00 C ATOM 251 CD PRO A 15 17.324 3.153 2.895 1.00 0.00 C ATOM 0 HA PRO A 15 14.871 5.169 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.541 3.228 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.597 4.598 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.867 1.776 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.118 2.936 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.328 2.254 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.262 3.674 3.085 1.00 0.00 H new ATOM 259 N HIS A 16 12.881 3.796 2.337 1.00 0.00 N ATOM 260 CA HIS A 16 11.653 2.953 2.447 1.00 0.00 C ATOM 261 C HIS A 16 10.435 3.734 1.962 1.00 0.00 C ATOM 262 O HIS A 16 10.217 4.865 2.344 1.00 0.00 O ATOM 263 CB HIS A 16 11.504 2.616 3.932 1.00 0.00 C ATOM 264 CG HIS A 16 11.369 3.883 4.729 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.172 4.588 4.826 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.283 4.591 5.468 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.410 5.672 5.597 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.678 5.717 6.012 1.00 0.00 N ATOM 0 H HIS A 16 12.724 4.801 2.410 1.00 0.00 H new ATOM 0 HA HIS A 16 11.730 2.052 1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.629 1.984 4.085 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.370 2.050 4.275 1.00 0.00 H new ATOM 0 HD1 HIS A 16 9.283 4.334 4.396 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.318 4.314 5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.665 6.412 5.847 1.00 0.00 H new ATOM 276 N TYR A 17 9.637 3.137 1.128 1.00 0.00 N ATOM 277 CA TYR A 17 8.433 3.835 0.634 1.00 0.00 C ATOM 278 C TYR A 17 7.198 3.127 1.147 1.00 0.00 C ATOM 279 O TYR A 17 7.210 1.936 1.382 1.00 0.00 O ATOM 280 CB TYR A 17 8.459 3.694 -0.881 1.00 0.00 C ATOM 281 CG TYR A 17 9.714 4.271 -1.480 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.952 3.664 -1.250 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.631 5.402 -2.298 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.105 4.187 -1.837 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.785 5.928 -2.885 1.00 0.00 C ATOM 286 CZ TYR A 17 12.024 5.320 -2.655 1.00 0.00 C ATOM 287 OH TYR A 17 13.165 5.835 -3.236 1.00 0.00 O ATOM 0 H TYR A 17 9.771 2.192 0.768 1.00 0.00 H new ATOM 0 HA TYR A 17 8.417 4.876 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.381 2.640 -1.148 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.590 4.196 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.016 2.790 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.674 5.870 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.061 3.717 -1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.721 6.803 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 17 12.932 6.621 -3.773 1.00 0.00 H new ATOM 297 N ARG A 18 6.121 3.833 1.288 1.00 0.00 N ATOM 298 CA ARG A 18 4.890 3.172 1.743 1.00 0.00 C ATOM 299 C ARG A 18 3.970 3.010 0.546 1.00 0.00 C ATOM 300 O ARG A 18 4.012 3.791 -0.385 1.00 0.00 O ATOM 301 CB ARG A 18 4.282 4.111 2.780 1.00 0.00 C ATOM 302 CG ARG A 18 3.423 3.314 3.744 1.00 0.00 C ATOM 303 CD ARG A 18 2.991 4.214 4.903 1.00 0.00 C ATOM 304 NE ARG A 18 3.551 3.571 6.128 1.00 0.00 N ATOM 305 CZ ARG A 18 3.449 4.155 7.299 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.851 5.313 7.425 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.950 3.572 8.354 1.00 0.00 N ATOM 0 H ARG A 18 6.044 4.834 1.108 1.00 0.00 H new ATOM 0 HA ARG A 18 5.062 2.185 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.072 4.630 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.681 4.874 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.547 2.921 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.981 2.457 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.375 5.227 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.905 4.289 4.959 1.00 0.00 H new ATOM 0 HE ARG A 18 4.018 2.667 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.456 5.775 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.780 5.753 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.417 2.669 8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.875 4.019 9.268 1.00 0.00 H new ATOM 321 N ILE A 19 3.114 2.042 0.571 1.00 0.00 N ATOM 322 CA ILE A 19 2.172 1.884 -0.552 1.00 0.00 C ATOM 323 C ILE A 19 0.909 2.536 -0.034 1.00 0.00 C ATOM 324 O ILE A 19 0.015 1.908 0.497 1.00 0.00 O ATOM 325 CB ILE A 19 2.009 0.379 -0.815 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.236 -0.425 -0.341 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.869 0.146 -2.314 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.988 -1.916 -0.565 1.00 0.00 C ATOM 0 H ILE A 19 3.026 1.354 1.319 1.00 0.00 H new ATOM 0 HA ILE A 19 2.478 2.331 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 19 1.128 0.047 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.125 -0.108 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.424 -0.232 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.753 -0.920 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.994 0.679 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.760 0.512 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.856 -2.484 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.110 -2.228 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.821 -2.102 -1.626 1.00 0.00 H new ATOM 340 N VAL A 20 0.920 3.835 -0.086 1.00 0.00 N ATOM 341 CA VAL A 20 -0.168 4.641 0.502 1.00 0.00 C ATOM 342 C VAL A 20 -1.188 5.071 -0.561 1.00 0.00 C ATOM 343 O VAL A 20 -0.963 4.942 -1.747 1.00 0.00 O ATOM 344 CB VAL A 20 0.627 5.819 1.125 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.480 7.113 0.321 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.172 6.053 2.560 1.00 0.00 C ATOM 0 H VAL A 20 1.661 4.382 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.787 4.119 1.232 1.00 0.00 H new ATOM 0 HB VAL A 20 1.681 5.540 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.055 7.906 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.851 6.956 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.571 7.400 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.735 6.881 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.891 6.293 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.346 5.152 3.148 1.00 0.00 H new ATOM 356 N VAL A 21 -2.326 5.543 -0.124 1.00 0.00 N ATOM 357 CA VAL A 21 -3.402 5.944 -1.072 1.00 0.00 C ATOM 358 C VAL A 21 -3.562 7.467 -1.089 1.00 0.00 C ATOM 359 O VAL A 21 -4.045 8.058 -0.145 1.00 0.00 O ATOM 360 CB VAL A 21 -4.699 5.295 -0.537 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.487 4.710 -1.705 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.409 4.169 0.460 1.00 0.00 C ATOM 0 H VAL A 21 -2.556 5.668 0.862 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.171 5.625 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.268 6.071 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.403 4.251 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.739 5.504 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.883 3.956 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.349 3.742 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.818 3.394 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.854 4.569 1.309 1.00 0.00 H new ATOM 372 N THR A 22 -3.178 8.108 -2.158 1.00 0.00 N ATOM 373 CA THR A 22 -3.329 9.591 -2.225 1.00 0.00 C ATOM 374 C THR A 22 -3.849 10.007 -3.603 1.00 0.00 C ATOM 375 O THR A 22 -4.319 9.191 -4.371 1.00 0.00 O ATOM 376 CB THR A 22 -1.927 10.158 -1.983 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.942 11.560 -2.205 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.926 9.501 -2.935 1.00 0.00 C ATOM 0 H THR A 22 -2.768 7.673 -2.985 1.00 0.00 H new ATOM 0 HA THR A 22 -4.043 9.962 -1.489 1.00 0.00 H new ATOM 0 HB THR A 22 -1.629 9.952 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.986 12.027 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.068 9.910 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.912 8.425 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.220 9.699 -3.966 1.00 0.00 H new ATOM 386 N ASP A 23 -3.773 11.270 -3.921 1.00 0.00 N ATOM 387 CA ASP A 23 -4.269 11.735 -5.248 1.00 0.00 C ATOM 388 C ASP A 23 -3.124 12.345 -6.061 1.00 0.00 C ATOM 389 O ASP A 23 -2.053 12.603 -5.548 1.00 0.00 O ATOM 390 CB ASP A 23 -5.325 12.792 -4.927 1.00 0.00 C ATOM 391 CG ASP A 23 -6.655 12.102 -4.615 1.00 0.00 C ATOM 392 OD1 ASP A 23 -7.421 11.888 -5.541 1.00 0.00 O ATOM 393 OD2 ASP A 23 -6.884 11.797 -3.456 1.00 0.00 O ATOM 0 H ASP A 23 -3.389 12.000 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.677 10.919 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.006 13.394 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.444 13.471 -5.771 1.00 0.00 H new ATOM 398 N ALA A 24 -3.342 12.576 -7.326 1.00 0.00 N ATOM 399 CA ALA A 24 -2.266 13.167 -8.175 1.00 0.00 C ATOM 400 C ALA A 24 -2.633 14.597 -8.580 1.00 0.00 C ATOM 401 O ALA A 24 -1.780 15.449 -8.726 1.00 0.00 O ATOM 402 CB ALA A 24 -2.196 12.264 -9.406 1.00 0.00 C ATOM 0 H ALA A 24 -4.219 12.381 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.311 13.222 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.425 12.632 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.953 11.247 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.159 12.268 -9.916 1.00 0.00 H new ATOM 408 N ARG A 25 -3.896 14.867 -8.766 1.00 0.00 N ATOM 409 CA ARG A 25 -4.314 16.241 -9.164 1.00 0.00 C ATOM 410 C ARG A 25 -3.722 17.274 -8.200 1.00 0.00 C ATOM 411 O ARG A 25 -3.498 18.414 -8.558 1.00 0.00 O ATOM 412 CB ARG A 25 -5.840 16.231 -9.074 1.00 0.00 C ATOM 413 CG ARG A 25 -6.416 17.239 -10.068 1.00 0.00 C ATOM 414 CD ARG A 25 -7.839 17.610 -9.649 1.00 0.00 C ATOM 415 NE ARG A 25 -7.699 18.172 -8.274 1.00 0.00 N ATOM 416 CZ ARG A 25 -8.731 18.248 -7.468 1.00 0.00 C ATOM 417 NH1 ARG A 25 -9.915 17.832 -7.847 1.00 0.00 N ATOM 418 NH2 ARG A 25 -8.577 18.744 -6.272 1.00 0.00 N ATOM 0 H ARG A 25 -4.656 14.196 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.968 16.507 -10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.221 15.233 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.157 16.481 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.791 18.131 -10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.420 16.815 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.275 18.340 -10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.493 16.738 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.788 18.502 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.044 17.442 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.707 17.898 -7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.659 19.069 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.375 18.807 -5.639 1.00 0.00 H new ATOM 432 N ARG A 26 -3.464 16.884 -6.982 1.00 0.00 N ATOM 433 CA ARG A 26 -2.882 17.840 -5.997 1.00 0.00 C ATOM 434 C ARG A 26 -1.356 17.854 -6.115 1.00 0.00 C ATOM 435 O ARG A 26 -0.722 16.822 -6.216 1.00 0.00 O ATOM 436 CB ARG A 26 -3.312 17.306 -4.631 1.00 0.00 C ATOM 437 CG ARG A 26 -4.686 17.874 -4.271 1.00 0.00 C ATOM 438 CD ARG A 26 -4.594 19.397 -4.167 1.00 0.00 C ATOM 439 NE ARG A 26 -5.780 19.800 -3.356 1.00 0.00 N ATOM 440 CZ ARG A 26 -6.048 21.066 -3.138 1.00 0.00 C ATOM 441 NH1 ARG A 26 -5.283 22.010 -3.630 1.00 0.00 N ATOM 442 NH2 ARG A 26 -7.091 21.387 -2.424 1.00 0.00 N ATOM 0 H ARG A 26 -3.631 15.943 -6.625 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.221 18.863 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.351 16.217 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.581 17.586 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.418 17.594 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.029 17.454 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.665 19.705 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.613 19.862 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.390 19.082 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.467 21.765 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.504 22.990 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.691 20.657 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.307 22.368 -2.249 1.00 0.00 H new ATOM 456 N LYS A 27 -0.759 19.014 -6.107 1.00 0.00 N ATOM 457 CA LYS A 27 0.726 19.088 -6.223 1.00 0.00 C ATOM 458 C LYS A 27 1.327 19.893 -5.063 1.00 0.00 C ATOM 459 O LYS A 27 2.531 19.967 -4.910 1.00 0.00 O ATOM 460 CB LYS A 27 0.981 19.797 -7.553 1.00 0.00 C ATOM 461 CG LYS A 27 1.361 18.766 -8.619 1.00 0.00 C ATOM 462 CD LYS A 27 1.192 19.383 -10.009 1.00 0.00 C ATOM 463 CE LYS A 27 2.298 20.413 -10.250 1.00 0.00 C ATOM 464 NZ LYS A 27 1.636 21.734 -10.077 1.00 0.00 N ATOM 0 H LYS A 27 -1.234 19.913 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 27 1.186 18.101 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.090 20.343 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.780 20.529 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.392 18.442 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.733 17.880 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.233 18.605 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.214 19.858 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.117 20.286 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.722 20.311 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.293 22.394 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.365 22.111 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.786 21.622 -9.488 1.00 0.00 H new ATOM 478 N ARG A 28 0.508 20.500 -4.244 1.00 0.00 N ATOM 479 CA ARG A 28 1.055 21.293 -3.103 1.00 0.00 C ATOM 480 C ARG A 28 1.128 20.437 -1.830 1.00 0.00 C ATOM 481 O ARG A 28 1.545 20.902 -0.789 1.00 0.00 O ATOM 482 CB ARG A 28 0.067 22.447 -2.916 1.00 0.00 C ATOM 483 CG ARG A 28 0.819 23.692 -2.437 1.00 0.00 C ATOM 484 CD ARG A 28 1.664 24.255 -3.582 1.00 0.00 C ATOM 485 NE ARG A 28 2.132 25.586 -3.094 1.00 0.00 N ATOM 486 CZ ARG A 28 2.939 26.324 -3.820 1.00 0.00 C ATOM 487 NH1 ARG A 28 3.344 25.921 -4.999 1.00 0.00 N ATOM 488 NH2 ARG A 28 3.340 27.478 -3.363 1.00 0.00 N ATOM 0 H ARG A 28 -0.509 20.482 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 28 2.068 21.644 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.445 22.657 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.698 22.170 -2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.112 24.445 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.458 23.440 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.505 23.600 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.077 24.353 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 28 1.821 25.926 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.032 25.022 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.971 26.507 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.026 27.801 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.967 28.057 -3.921 1.00 0.00 H new ATOM 502 N ASP A 29 0.730 19.193 -1.901 1.00 0.00 N ATOM 503 CA ASP A 29 0.784 18.324 -0.689 1.00 0.00 C ATOM 504 C ASP A 29 0.762 16.847 -1.096 1.00 0.00 C ATOM 505 O ASP A 29 -0.110 16.405 -1.817 1.00 0.00 O ATOM 506 CB ASP A 29 -0.472 18.680 0.109 1.00 0.00 C ATOM 507 CG ASP A 29 -0.178 18.564 1.606 1.00 0.00 C ATOM 508 OD1 ASP A 29 -0.367 17.487 2.147 1.00 0.00 O ATOM 509 OD2 ASP A 29 0.230 19.556 2.188 1.00 0.00 O ATOM 0 H ASP A 29 0.371 18.743 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 29 1.693 18.479 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.793 19.694 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.290 18.013 -0.164 1.00 0.00 H new ATOM 514 N GLY A 30 1.716 16.080 -0.643 1.00 0.00 N ATOM 515 CA GLY A 30 1.747 14.634 -1.008 1.00 0.00 C ATOM 516 C GLY A 30 1.084 13.811 0.100 1.00 0.00 C ATOM 517 O GLY A 30 1.424 12.665 0.321 1.00 0.00 O ATOM 0 H GLY A 30 2.475 16.391 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.227 14.476 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.777 14.307 -1.152 1.00 0.00 H new ATOM 521 N LYS A 31 0.140 14.383 0.798 1.00 0.00 N ATOM 522 CA LYS A 31 -0.542 13.630 1.891 1.00 0.00 C ATOM 523 C LYS A 31 -1.484 12.576 1.301 1.00 0.00 C ATOM 524 O LYS A 31 -2.109 12.790 0.282 1.00 0.00 O ATOM 525 CB LYS A 31 -1.335 14.686 2.664 1.00 0.00 C ATOM 526 CG LYS A 31 -1.996 14.040 3.885 1.00 0.00 C ATOM 527 CD LYS A 31 -2.320 15.118 4.922 1.00 0.00 C ATOM 528 CE LYS A 31 -3.743 14.914 5.447 1.00 0.00 C ATOM 529 NZ LYS A 31 -4.596 15.791 4.597 1.00 0.00 N ATOM 0 H LYS A 31 -0.189 15.339 0.659 1.00 0.00 H new ATOM 0 HA LYS A 31 0.164 13.101 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.674 15.493 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.094 15.130 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.908 13.522 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.332 13.292 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.607 15.071 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.225 16.107 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.047 13.870 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.819 15.189 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.588 15.706 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.287 16.779 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.509 15.501 3.602 1.00 0.00 H new ATOM 543 N TYR A 32 -1.595 11.441 1.936 1.00 0.00 N ATOM 544 CA TYR A 32 -2.503 10.376 1.411 1.00 0.00 C ATOM 545 C TYR A 32 -3.709 10.204 2.330 1.00 0.00 C ATOM 546 O TYR A 32 -3.658 10.504 3.505 1.00 0.00 O ATOM 547 CB TYR A 32 -1.676 9.085 1.391 1.00 0.00 C ATOM 548 CG TYR A 32 -1.019 8.876 2.736 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.773 8.413 3.821 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.344 9.150 2.897 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.163 8.225 5.067 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.954 8.961 4.143 1.00 0.00 C ATOM 553 CZ TYR A 32 0.200 8.499 5.227 1.00 0.00 C ATOM 554 OH TYR A 32 0.802 8.315 6.455 1.00 0.00 O ATOM 0 H TYR A 32 -1.098 11.203 2.794 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.879 10.631 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.317 8.236 1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.917 9.140 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.825 8.201 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.925 9.507 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.744 7.869 5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.006 9.172 4.267 1.00 0.00 H new ATOM 0 HH TYR A 32 1.751 8.550 6.393 1.00 0.00 H new ATOM 564 N ILE A 33 -4.793 9.709 1.802 1.00 0.00 N ATOM 565 CA ILE A 33 -6.002 9.504 2.643 1.00 0.00 C ATOM 566 C ILE A 33 -5.667 8.560 3.803 1.00 0.00 C ATOM 567 O ILE A 33 -5.888 8.873 4.956 1.00 0.00 O ATOM 568 CB ILE A 33 -7.026 8.870 1.696 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.453 9.902 0.648 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.252 8.417 2.486 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.785 9.580 -0.692 1.00 0.00 C ATOM 0 H ILE A 33 -4.893 9.438 0.824 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.378 10.427 3.085 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.576 8.008 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.537 9.895 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.173 10.904 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.976 7.967 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.952 7.684 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.704 9.277 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.090 10.315 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.702 9.610 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.087 8.585 -1.019 1.00 0.00 H new ATOM 583 N GLU A 34 -5.126 7.411 3.504 1.00 0.00 N ATOM 584 CA GLU A 34 -4.766 6.446 4.582 1.00 0.00 C ATOM 585 C GLU A 34 -3.558 5.607 4.152 1.00 0.00 C ATOM 586 O GLU A 34 -3.105 5.688 3.028 1.00 0.00 O ATOM 587 CB GLU A 34 -6.001 5.557 4.750 1.00 0.00 C ATOM 588 CG GLU A 34 -6.991 6.228 5.705 1.00 0.00 C ATOM 589 CD GLU A 34 -6.355 6.359 7.090 1.00 0.00 C ATOM 590 OE1 GLU A 34 -6.003 5.337 7.656 1.00 0.00 O ATOM 591 OE2 GLU A 34 -6.233 7.477 7.560 1.00 0.00 O ATOM 0 H GLU A 34 -4.917 7.098 2.556 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.496 6.946 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.473 5.386 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.709 4.582 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.268 7.212 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.907 5.641 5.768 1.00 0.00 H new ATOM 598 N LYS A 35 -3.037 4.798 5.034 1.00 0.00 N ATOM 599 CA LYS A 35 -1.864 3.952 4.667 1.00 0.00 C ATOM 600 C LYS A 35 -2.286 2.481 4.583 1.00 0.00 C ATOM 601 O LYS A 35 -2.760 1.904 5.541 1.00 0.00 O ATOM 602 CB LYS A 35 -0.845 4.167 5.791 1.00 0.00 C ATOM 603 CG LYS A 35 -1.406 3.641 7.115 1.00 0.00 C ATOM 604 CD LYS A 35 -1.165 4.676 8.216 1.00 0.00 C ATOM 605 CE LYS A 35 -1.869 4.230 9.499 1.00 0.00 C ATOM 606 NZ LYS A 35 -3.141 5.006 9.527 1.00 0.00 N ATOM 0 H LYS A 35 -3.371 4.686 5.991 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.447 4.217 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.086 3.654 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.610 5.227 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.473 3.440 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.927 2.697 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.096 4.789 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.540 5.650 7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.061 3.157 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.259 4.439 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.682 4.755 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.927 6.024 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.703 4.781 8.682 1.00 0.00 H new ATOM 620 N ILE A 36 -2.135 1.873 3.438 1.00 0.00 N ATOM 621 CA ILE A 36 -2.550 0.442 3.298 1.00 0.00 C ATOM 622 C ILE A 36 -1.352 -0.475 3.133 1.00 0.00 C ATOM 623 O ILE A 36 -1.336 -1.581 3.640 1.00 0.00 O ATOM 624 CB ILE A 36 -3.416 0.399 2.043 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.572 0.792 0.818 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.580 1.373 2.210 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.445 0.817 -0.429 1.00 0.00 C ATOM 0 H ILE A 36 -1.745 2.299 2.597 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.079 0.099 4.187 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.803 -0.609 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.121 1.772 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.755 0.082 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.205 1.349 1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.174 1.084 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.193 2.381 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.840 1.096 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.875 -0.171 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.246 1.544 -0.298 1.00 0.00 H new ATOM 639 N GLY A 37 -0.366 -0.055 2.406 1.00 0.00 N ATOM 640 CA GLY A 37 0.793 -0.943 2.195 1.00 0.00 C ATOM 641 C GLY A 37 2.077 -0.306 2.690 1.00 0.00 C ATOM 642 O GLY A 37 2.152 0.873 2.954 1.00 0.00 O ATOM 0 H GLY A 37 -0.313 0.857 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.629 -1.887 2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.886 -1.176 1.134 1.00 0.00 H new ATOM 646 N TYR A 38 3.099 -1.098 2.773 1.00 0.00 N ATOM 647 CA TYR A 38 4.432 -0.588 3.203 1.00 0.00 C ATOM 648 C TYR A 38 5.490 -1.209 2.296 1.00 0.00 C ATOM 649 O TYR A 38 5.390 -2.366 1.932 1.00 0.00 O ATOM 650 CB TYR A 38 4.614 -1.057 4.646 1.00 0.00 C ATOM 651 CG TYR A 38 5.982 -0.639 5.139 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.342 0.716 5.141 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.889 -1.603 5.596 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.607 1.103 5.599 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.154 -1.213 6.055 1.00 0.00 C ATOM 656 CZ TYR A 38 8.512 0.139 6.056 1.00 0.00 C ATOM 657 OH TYR A 38 9.759 0.522 6.507 1.00 0.00 O ATOM 0 H TYR A 38 3.072 -2.095 2.559 1.00 0.00 H new ATOM 0 HA TYR A 38 4.516 0.497 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.839 -0.627 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.509 -2.140 4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.644 1.461 4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.613 -2.647 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.885 2.147 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.853 -1.957 6.408 1.00 0.00 H new ATOM 0 HH TYR A 38 10.431 0.315 5.825 1.00 0.00 H new ATOM 667 N TYR A 39 6.498 -0.473 1.912 1.00 0.00 N ATOM 668 CA TYR A 39 7.524 -1.076 1.019 1.00 0.00 C ATOM 669 C TYR A 39 8.935 -0.649 1.447 1.00 0.00 C ATOM 670 O TYR A 39 9.171 0.495 1.784 1.00 0.00 O ATOM 671 CB TYR A 39 7.215 -0.546 -0.387 1.00 0.00 C ATOM 672 CG TYR A 39 8.282 -1.041 -1.340 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.518 -0.388 -1.399 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.046 -2.163 -2.146 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.516 -0.851 -2.264 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.047 -2.626 -3.011 1.00 0.00 C ATOM 677 CZ TYR A 39 10.281 -1.970 -3.069 1.00 0.00 C ATOM 678 OH TYR A 39 11.267 -2.428 -3.920 1.00 0.00 O ATOM 0 H TYR A 39 6.653 0.501 2.173 1.00 0.00 H new ATOM 0 HA TYR A 39 7.494 -2.165 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.232 -0.887 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.189 0.544 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.702 0.475 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.094 -2.670 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.468 -0.344 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.865 -3.490 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 39 10.941 -3.214 -4.406 1.00 0.00 H new ATOM 688 N ASP A 40 9.875 -1.553 1.416 1.00 0.00 N ATOM 689 CA ASP A 40 11.274 -1.195 1.796 1.00 0.00 C ATOM 690 C ASP A 40 12.257 -1.887 0.841 1.00 0.00 C ATOM 691 O ASP A 40 12.478 -3.075 0.935 1.00 0.00 O ATOM 692 CB ASP A 40 11.454 -1.713 3.225 1.00 0.00 C ATOM 693 CG ASP A 40 12.365 -0.760 3.999 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.486 -0.558 3.562 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.928 -0.247 5.016 1.00 0.00 O ATOM 0 H ASP A 40 9.736 -2.526 1.144 1.00 0.00 H new ATOM 0 HA ASP A 40 11.461 -0.123 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.486 -1.791 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.885 -2.714 3.209 1.00 0.00 H new ATOM 700 N PRO A 41 12.814 -1.130 -0.065 1.00 0.00 N ATOM 701 CA PRO A 41 13.757 -1.720 -1.039 1.00 0.00 C ATOM 702 C PRO A 41 15.086 -2.058 -0.357 1.00 0.00 C ATOM 703 O PRO A 41 16.095 -1.426 -0.596 1.00 0.00 O ATOM 704 CB PRO A 41 13.937 -0.620 -2.081 1.00 0.00 C ATOM 705 CG PRO A 41 13.616 0.653 -1.362 1.00 0.00 C ATOM 706 CD PRO A 41 12.634 0.314 -0.269 1.00 0.00 C ATOM 0 HA PRO A 41 13.397 -2.652 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.955 -0.608 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.273 -0.770 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.519 1.096 -0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.190 1.385 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.842 0.875 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.612 0.551 -0.563 1.00 0.00 H new ATOM 714 N ARG A 42 15.092 -3.052 0.489 1.00 0.00 N ATOM 715 CA ARG A 42 16.350 -3.430 1.184 1.00 0.00 C ATOM 716 C ARG A 42 17.117 -4.467 0.362 1.00 0.00 C ATOM 717 O ARG A 42 16.542 -5.382 -0.193 1.00 0.00 O ATOM 718 CB ARG A 42 15.904 -4.026 2.519 1.00 0.00 C ATOM 719 CG ARG A 42 15.790 -2.913 3.564 1.00 0.00 C ATOM 720 CD ARG A 42 16.860 -3.112 4.640 1.00 0.00 C ATOM 721 NE ARG A 42 16.265 -4.085 5.601 1.00 0.00 N ATOM 722 CZ ARG A 42 15.263 -3.739 6.375 1.00 0.00 C ATOM 723 NH1 ARG A 42 14.753 -2.533 6.319 1.00 0.00 N ATOM 724 NH2 ARG A 42 14.767 -4.610 7.212 1.00 0.00 N ATOM 0 H ARG A 42 14.278 -3.618 0.728 1.00 0.00 H new ATOM 0 HA ARG A 42 17.016 -2.579 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.944 -4.529 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.620 -4.778 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.913 -1.940 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.798 -2.924 4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.785 -3.497 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.105 -2.171 5.132 1.00 0.00 H new ATOM 0 HE ARG A 42 16.641 -5.031 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 42 15.135 -1.848 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.974 -2.280 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 42 15.158 -5.551 7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.988 -4.350 7.817 1.00 0.00 H new ATOM 738 N LYS A 43 18.412 -4.333 0.279 1.00 0.00 N ATOM 739 CA LYS A 43 19.213 -5.312 -0.508 1.00 0.00 C ATOM 740 C LYS A 43 19.842 -6.351 0.424 1.00 0.00 C ATOM 741 O LYS A 43 20.930 -6.837 0.184 1.00 0.00 O ATOM 742 CB LYS A 43 20.297 -4.479 -1.191 1.00 0.00 C ATOM 743 CG LYS A 43 19.644 -3.431 -2.094 1.00 0.00 C ATOM 744 CD LYS A 43 20.491 -2.158 -2.095 1.00 0.00 C ATOM 745 CE LYS A 43 21.669 -2.330 -3.056 1.00 0.00 C ATOM 746 NZ LYS A 43 22.559 -1.167 -2.785 1.00 0.00 N ATOM 0 H LYS A 43 18.950 -3.588 0.722 1.00 0.00 H new ATOM 0 HA LYS A 43 18.605 -5.859 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.921 -3.991 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 43 20.950 -5.124 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.549 -3.818 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.636 -3.210 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 43 19.884 -1.305 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 43 20.856 -1.950 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.187 -3.273 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.334 -2.338 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 23.391 -1.214 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 22.041 -0.284 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 22.867 -1.190 -1.792 1.00 0.00 H new ATOM 760 N THR A 44 19.165 -6.695 1.484 1.00 0.00 N ATOM 761 CA THR A 44 19.725 -7.704 2.431 1.00 0.00 C ATOM 762 C THR A 44 18.663 -8.751 2.774 1.00 0.00 C ATOM 763 O THR A 44 18.945 -9.928 2.870 1.00 0.00 O ATOM 764 CB THR A 44 20.119 -6.907 3.675 1.00 0.00 C ATOM 765 OG1 THR A 44 20.722 -7.779 4.619 1.00 0.00 O ATOM 766 CG2 THR A 44 18.874 -6.263 4.291 1.00 0.00 C ATOM 0 H THR A 44 18.250 -6.323 1.737 1.00 0.00 H new ATOM 0 HA THR A 44 20.574 -8.241 2.009 1.00 0.00 H new ATOM 0 HB THR A 44 20.826 -6.125 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.977 -7.271 5.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.158 -5.696 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.413 -5.594 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.163 -7.040 4.570 1.00 0.00 H new ATOM 774 N THR A 45 17.442 -8.330 2.959 1.00 0.00 N ATOM 775 CA THR A 45 16.362 -9.301 3.294 1.00 0.00 C ATOM 776 C THR A 45 15.104 -8.993 2.469 1.00 0.00 C ATOM 777 O THR A 45 14.723 -7.848 2.342 1.00 0.00 O ATOM 778 CB THR A 45 16.097 -9.090 4.785 1.00 0.00 C ATOM 779 OG1 THR A 45 15.931 -7.703 5.044 1.00 0.00 O ATOM 780 CG2 THR A 45 17.281 -9.625 5.593 1.00 0.00 C ATOM 0 H THR A 45 17.145 -7.356 2.893 1.00 0.00 H new ATOM 0 HA THR A 45 16.641 -10.331 3.072 1.00 0.00 H new ATOM 0 HB THR A 45 15.191 -9.623 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.410 -7.295 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.093 -9.475 6.656 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.407 -10.689 5.393 1.00 0.00 H new ATOM 0 HG23 THR A 45 18.188 -9.092 5.306 1.00 0.00 H new ATOM 788 N PRO A 46 14.501 -10.025 1.927 1.00 0.00 N ATOM 789 CA PRO A 46 13.277 -9.839 1.105 1.00 0.00 C ATOM 790 C PRO A 46 12.071 -9.498 1.988 1.00 0.00 C ATOM 791 O PRO A 46 11.016 -9.148 1.498 1.00 0.00 O ATOM 792 CB PRO A 46 13.088 -11.195 0.432 1.00 0.00 C ATOM 793 CG PRO A 46 13.769 -12.176 1.332 1.00 0.00 C ATOM 794 CD PRO A 46 14.886 -11.441 2.025 1.00 0.00 C ATOM 0 HA PRO A 46 13.367 -9.019 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.031 -11.434 0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.527 -11.204 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.067 -12.583 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.159 -13.018 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.986 -11.756 3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.845 -11.627 1.542 1.00 0.00 H new ATOM 802 N ASP A 47 12.210 -9.604 3.282 1.00 0.00 N ATOM 803 CA ASP A 47 11.064 -9.289 4.182 1.00 0.00 C ATOM 804 C ASP A 47 10.843 -7.776 4.265 1.00 0.00 C ATOM 805 O ASP A 47 10.996 -7.175 5.310 1.00 0.00 O ATOM 806 CB ASP A 47 11.470 -9.844 5.547 1.00 0.00 C ATOM 807 CG ASP A 47 10.892 -11.248 5.721 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.687 -11.392 5.591 1.00 0.00 O ATOM 809 OD2 ASP A 47 11.663 -12.158 5.981 1.00 0.00 O ATOM 0 H ASP A 47 13.066 -9.895 3.754 1.00 0.00 H new ATOM 0 HA ASP A 47 10.131 -9.723 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.556 -9.874 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.107 -9.190 6.340 1.00 0.00 H new ATOM 814 N TRP A 48 10.478 -7.151 3.176 1.00 0.00 N ATOM 815 CA TRP A 48 10.246 -5.676 3.215 1.00 0.00 C ATOM 816 C TRP A 48 8.843 -5.324 2.710 1.00 0.00 C ATOM 817 O TRP A 48 8.403 -4.197 2.829 1.00 0.00 O ATOM 818 CB TRP A 48 11.304 -5.054 2.297 1.00 0.00 C ATOM 819 CG TRP A 48 11.340 -5.762 0.977 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.299 -6.629 0.587 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.402 -5.671 -0.130 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.000 -7.092 -0.681 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.839 -6.529 -1.166 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.226 -4.938 -0.329 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.127 -6.657 -2.359 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.505 -5.061 -1.527 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.954 -5.921 -2.540 1.00 0.00 C ATOM 0 H TRP A 48 10.331 -7.593 2.269 1.00 0.00 H new ATOM 0 HA TRP A 48 10.321 -5.300 4.235 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.084 -3.998 2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.283 -5.110 2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.161 -6.915 1.172 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.568 -7.766 -1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.871 -4.273 0.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.480 -7.319 -3.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.599 -4.490 -1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.394 -6.014 -3.458 1.00 0.00 H new ATOM 838 N LEU A 49 8.137 -6.262 2.144 1.00 0.00 N ATOM 839 CA LEU A 49 6.770 -5.948 1.636 1.00 0.00 C ATOM 840 C LEU A 49 5.719 -6.232 2.711 1.00 0.00 C ATOM 841 O LEU A 49 5.441 -7.369 3.035 1.00 0.00 O ATOM 842 CB LEU A 49 6.561 -6.878 0.444 1.00 0.00 C ATOM 843 CG LEU A 49 5.246 -6.523 -0.251 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.318 -6.942 -1.716 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.096 -7.256 0.443 1.00 0.00 C ATOM 0 H LEU A 49 8.443 -7.226 2.011 1.00 0.00 H new ATOM 0 HA LEU A 49 6.673 -4.897 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.392 -6.784 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.541 -7.916 0.777 1.00 0.00 H new ATOM 0 HG LEU A 49 5.076 -5.448 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.381 -6.690 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.140 -6.419 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.484 -8.017 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.156 -7.006 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.262 -8.332 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.050 -6.953 1.489 1.00 0.00 H new ATOM 857 N LYS A 50 5.126 -5.209 3.255 1.00 0.00 N ATOM 858 CA LYS A 50 4.081 -5.424 4.300 1.00 0.00 C ATOM 859 C LYS A 50 2.804 -4.678 3.911 1.00 0.00 C ATOM 860 O LYS A 50 2.725 -3.472 4.031 1.00 0.00 O ATOM 861 CB LYS A 50 4.671 -4.838 5.583 1.00 0.00 C ATOM 862 CG LYS A 50 5.790 -5.745 6.095 1.00 0.00 C ATOM 863 CD LYS A 50 5.439 -6.248 7.497 1.00 0.00 C ATOM 864 CE LYS A 50 6.115 -5.361 8.543 1.00 0.00 C ATOM 865 NZ LYS A 50 5.950 -6.094 9.830 1.00 0.00 N ATOM 0 H LYS A 50 5.317 -4.234 3.024 1.00 0.00 H new ATOM 0 HA LYS A 50 3.821 -6.476 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.059 -3.837 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.894 -4.740 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.927 -6.588 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.733 -5.199 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.358 -6.236 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.765 -7.281 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.168 -5.206 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.650 -4.376 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.389 -5.548 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.937 -6.221 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.409 -7.025 9.761 1.00 0.00 H new ATOM 879 N VAL A 51 1.802 -5.373 3.433 1.00 0.00 N ATOM 880 CA VAL A 51 0.555 -4.665 3.035 1.00 0.00 C ATOM 881 C VAL A 51 -0.672 -5.282 3.700 1.00 0.00 C ATOM 882 O VAL A 51 -0.758 -6.474 3.916 1.00 0.00 O ATOM 883 CB VAL A 51 0.480 -4.801 1.491 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.967 -5.002 1.003 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.009 -3.528 0.851 1.00 0.00 C ATOM 0 H VAL A 51 1.795 -6.385 3.304 1.00 0.00 H new ATOM 0 HA VAL A 51 0.571 -3.621 3.350 1.00 0.00 H new ATOM 0 HB VAL A 51 1.074 -5.670 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.975 -5.093 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.378 -5.909 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.573 -4.146 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.959 -3.618 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.404 -2.680 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.044 -3.371 1.154 1.00 0.00 H new ATOM 895 N ASP A 52 -1.647 -4.463 3.953 1.00 0.00 N ATOM 896 CA ASP A 52 -2.914 -4.965 4.523 1.00 0.00 C ATOM 897 C ASP A 52 -3.873 -5.138 3.351 1.00 0.00 C ATOM 898 O ASP A 52 -4.794 -4.364 3.185 1.00 0.00 O ATOM 899 CB ASP A 52 -3.404 -3.866 5.468 1.00 0.00 C ATOM 900 CG ASP A 52 -4.268 -4.486 6.569 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.721 -5.603 6.383 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.465 -3.829 7.579 1.00 0.00 O ATOM 0 H ASP A 52 -1.617 -3.457 3.786 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.822 -5.909 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.554 -3.345 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.980 -3.125 4.913 1.00 0.00 H new ATOM 907 N VAL A 53 -3.614 -6.123 2.512 1.00 0.00 N ATOM 908 CA VAL A 53 -4.460 -6.363 1.288 1.00 0.00 C ATOM 909 C VAL A 53 -5.932 -6.009 1.545 1.00 0.00 C ATOM 910 O VAL A 53 -6.616 -5.541 0.662 1.00 0.00 O ATOM 911 CB VAL A 53 -4.263 -7.860 0.883 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.914 -8.739 2.090 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.531 -8.416 0.215 1.00 0.00 C ATOM 0 H VAL A 53 -2.842 -6.779 2.626 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.151 -5.716 0.467 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.431 -7.886 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.786 -9.771 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.988 -8.384 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.719 -8.688 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.371 -9.459 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.368 -8.347 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.754 -7.836 -0.681 1.00 0.00 H new ATOM 923 N GLU A 54 -6.417 -6.189 2.741 1.00 0.00 N ATOM 924 CA GLU A 54 -7.828 -5.813 3.009 1.00 0.00 C ATOM 925 C GLU A 54 -7.996 -4.317 2.759 1.00 0.00 C ATOM 926 O GLU A 54 -8.832 -3.894 1.985 1.00 0.00 O ATOM 927 CB GLU A 54 -8.077 -6.162 4.476 1.00 0.00 C ATOM 928 CG GLU A 54 -9.522 -6.627 4.653 1.00 0.00 C ATOM 929 CD GLU A 54 -9.627 -7.491 5.911 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.615 -8.039 6.314 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.716 -7.587 6.450 1.00 0.00 O ATOM 0 H GLU A 54 -5.904 -6.575 3.534 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.536 -6.335 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.390 -6.946 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.884 -5.293 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.185 -5.766 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.842 -7.196 3.780 1.00 0.00 H new ATOM 938 N ARG A 55 -7.187 -3.512 3.388 1.00 0.00 N ATOM 939 CA ARG A 55 -7.279 -2.048 3.162 1.00 0.00 C ATOM 940 C ARG A 55 -6.703 -1.725 1.788 1.00 0.00 C ATOM 941 O ARG A 55 -7.217 -0.902 1.064 1.00 0.00 O ATOM 942 CB ARG A 55 -6.429 -1.403 4.256 1.00 0.00 C ATOM 943 CG ARG A 55 -7.142 -1.515 5.605 1.00 0.00 C ATOM 944 CD ARG A 55 -8.509 -0.824 5.543 1.00 0.00 C ATOM 945 NE ARG A 55 -8.237 0.537 4.994 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.698 1.469 5.744 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.372 1.227 6.990 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.481 2.653 5.240 1.00 0.00 N ATOM 0 H ARG A 55 -6.467 -3.807 4.048 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.306 -1.685 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.456 -1.891 4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.247 -0.355 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.269 -2.564 5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.532 -1.060 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.200 -1.375 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.966 -0.766 6.531 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.473 0.745 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.536 0.303 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.954 1.962 7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.730 2.848 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.062 3.383 5.816 1.00 0.00 H new ATOM 962 N ALA A 56 -5.650 -2.392 1.408 1.00 0.00 N ATOM 963 CA ALA A 56 -5.071 -2.138 0.075 1.00 0.00 C ATOM 964 C ALA A 56 -6.107 -2.552 -0.975 1.00 0.00 C ATOM 965 O ALA A 56 -6.094 -2.085 -2.100 1.00 0.00 O ATOM 966 CB ALA A 56 -3.791 -2.986 0.026 1.00 0.00 C ATOM 0 H ALA A 56 -5.171 -3.099 1.966 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.824 -1.095 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.301 -2.850 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.116 -2.673 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.046 -4.037 0.159 1.00 0.00 H new ATOM 972 N ARG A 57 -7.041 -3.401 -0.602 1.00 0.00 N ATOM 973 CA ARG A 57 -8.090 -3.807 -1.564 1.00 0.00 C ATOM 974 C ARG A 57 -9.278 -2.839 -1.482 1.00 0.00 C ATOM 975 O ARG A 57 -10.017 -2.672 -2.429 1.00 0.00 O ATOM 976 CB ARG A 57 -8.516 -5.216 -1.152 1.00 0.00 C ATOM 977 CG ARG A 57 -9.628 -5.707 -2.081 1.00 0.00 C ATOM 978 CD ARG A 57 -9.380 -7.173 -2.441 1.00 0.00 C ATOM 979 NE ARG A 57 -8.998 -7.158 -3.884 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.910 -7.038 -4.821 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.178 -6.915 -4.517 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.547 -7.038 -6.074 1.00 0.00 N ATOM 0 H ARG A 57 -7.112 -3.822 0.324 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.727 -3.789 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.663 -5.893 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.865 -5.214 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.597 -5.600 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.656 -5.099 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.587 -7.601 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.273 -7.776 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.016 -7.242 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.470 -6.911 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.873 -6.823 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.561 -7.131 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.249 -6.945 -6.808 1.00 0.00 H new ATOM 996 N TYR A 58 -9.443 -2.179 -0.362 1.00 0.00 N ATOM 997 CA TYR A 58 -10.555 -1.195 -0.212 1.00 0.00 C ATOM 998 C TYR A 58 -10.370 -0.145 -1.283 1.00 0.00 C ATOM 999 O TYR A 58 -11.264 0.217 -2.024 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.326 -0.594 1.184 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.902 0.810 1.299 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.130 1.116 0.702 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.204 1.802 2.007 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.664 2.405 0.813 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.739 3.092 2.116 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.969 3.392 1.521 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.498 4.663 1.631 1.00 0.00 O ATOM 0 H TYR A 58 -8.849 -2.282 0.461 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.556 -1.615 -0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.784 -1.237 1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.257 -0.566 1.397 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.667 0.356 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.255 1.570 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.613 2.638 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.202 3.855 2.660 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.890 5.226 2.155 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.180 0.334 -1.334 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.814 1.367 -2.311 1.00 0.00 C ATOM 1019 C TRP A 59 -8.977 0.812 -3.709 1.00 0.00 C ATOM 1020 O TRP A 59 -9.680 1.360 -4.531 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.378 1.690 -1.947 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.455 2.405 -0.649 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.991 1.973 0.547 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.108 3.664 -0.406 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.300 2.926 1.507 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.993 3.990 0.960 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.771 4.547 -1.256 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.531 5.171 1.471 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.318 5.734 -0.754 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.198 6.048 0.608 1.00 0.00 C ATOM 0 H TRP A 59 -8.420 0.044 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.432 2.265 -2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.780 0.783 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.909 2.310 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.469 1.044 0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.048 2.851 2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.863 4.315 -2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.434 5.406 2.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.835 6.411 -1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.620 6.966 0.990 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.389 -0.313 -3.970 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.580 -0.939 -5.305 1.00 0.00 C ATOM 1043 C LEU A 60 -10.088 -1.083 -5.560 1.00 0.00 C ATOM 1044 O LEU A 60 -10.536 -1.174 -6.687 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.912 -2.312 -5.208 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.452 -2.204 -5.649 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.632 -3.298 -4.962 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.365 -2.379 -7.167 1.00 0.00 C ATOM 0 H LEU A 60 -7.788 -0.826 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.153 -0.355 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.967 -2.683 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.440 -3.030 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.058 -1.226 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.591 -3.223 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.696 -3.176 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.025 -4.276 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.325 -2.302 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.757 -3.358 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.951 -1.602 -7.657 1.00 0.00 H new ATOM 1060 N SER A 61 -10.876 -1.097 -4.504 1.00 0.00 N ATOM 1061 CA SER A 61 -12.350 -1.221 -4.669 1.00 0.00 C ATOM 1062 C SER A 61 -12.973 0.135 -5.021 1.00 0.00 C ATOM 1063 O SER A 61 -14.052 0.200 -5.576 1.00 0.00 O ATOM 1064 CB SER A 61 -12.868 -1.707 -3.315 1.00 0.00 C ATOM 1065 OG SER A 61 -13.955 -2.598 -3.522 1.00 0.00 O ATOM 0 H SER A 61 -10.554 -1.027 -3.539 1.00 0.00 H new ATOM 0 HA SER A 61 -12.608 -1.906 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.071 -2.208 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.188 -0.859 -2.709 1.00 0.00 H new ATOM 0 HG SER A 61 -14.289 -2.913 -2.656 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.312 1.223 -4.708 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.887 2.550 -5.037 1.00 0.00 C ATOM 1073 C VAL A 62 -12.254 3.074 -6.326 1.00 0.00 C ATOM 1074 O VAL A 62 -12.063 4.260 -6.509 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.564 3.469 -3.842 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.933 2.780 -2.525 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.072 3.826 -3.818 1.00 0.00 C ATOM 0 H VAL A 62 -11.405 1.243 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.964 2.503 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.150 4.381 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.699 3.441 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.999 2.552 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.364 1.856 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.867 4.475 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.481 2.914 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.807 4.343 -4.740 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.931 2.183 -7.215 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.309 2.596 -8.504 1.00 0.00 C ATOM 1089 C GLY A 63 -9.892 3.117 -8.249 1.00 0.00 C ATOM 1090 O GLY A 63 -9.386 3.941 -8.984 1.00 0.00 O ATOM 0 H GLY A 63 -12.071 1.179 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.278 1.751 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.912 3.370 -8.978 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.245 2.645 -7.218 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.864 3.122 -6.934 1.00 0.00 C ATOM 1096 C ALA A 64 -6.905 2.630 -8.019 1.00 0.00 C ATOM 1097 O ALA A 64 -6.928 1.479 -8.406 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.500 2.519 -5.577 1.00 0.00 C ATOM 0 H ALA A 64 -9.612 1.953 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.798 4.210 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.492 2.828 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.206 2.867 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.542 1.432 -5.639 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.063 3.493 -8.519 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.109 3.069 -9.582 1.00 0.00 C ATOM 1106 C GLN A 65 -3.711 2.850 -8.987 1.00 0.00 C ATOM 1107 O GLN A 65 -3.047 3.797 -8.614 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.090 4.225 -10.582 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.165 3.669 -12.005 1.00 0.00 C ATOM 1110 CD GLN A 65 -3.779 3.187 -12.436 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.366 2.098 -12.090 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.037 3.959 -13.182 1.00 0.00 N ATOM 0 H GLN A 65 -5.995 4.471 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.405 2.130 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.930 4.894 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.181 4.813 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.878 2.846 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.524 4.438 -12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.383 4.873 -13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.111 3.648 -13.474 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.305 1.603 -8.913 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.974 1.275 -8.361 1.00 0.00 C ATOM 1123 C PRO A 66 -0.902 1.396 -9.448 1.00 0.00 C ATOM 1124 O PRO A 66 -1.012 0.807 -10.505 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.124 -0.174 -7.917 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.222 -0.749 -8.764 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.035 0.396 -9.322 1.00 0.00 C ATOM 0 HA PRO A 66 -1.669 1.939 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.193 -0.724 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.374 -0.235 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.804 -1.348 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.854 -1.410 -8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.118 0.331 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.050 0.393 -8.924 1.00 0.00 H new ATOM 1135 N THR A 67 0.137 2.147 -9.201 1.00 0.00 N ATOM 1136 CA THR A 67 1.208 2.287 -10.231 1.00 0.00 C ATOM 1137 C THR A 67 1.821 0.915 -10.536 1.00 0.00 C ATOM 1138 O THR A 67 1.503 -0.070 -9.901 1.00 0.00 O ATOM 1139 CB THR A 67 2.248 3.231 -9.616 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.388 3.291 -10.464 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.667 2.726 -8.234 1.00 0.00 C ATOM 0 H THR A 67 0.291 2.667 -8.337 1.00 0.00 H new ATOM 0 HA THR A 67 0.827 2.681 -11.173 1.00 0.00 H new ATOM 0 HB THR A 67 1.811 4.224 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.054 3.895 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.406 3.404 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.794 2.683 -7.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.100 1.730 -8.326 1.00 0.00 H new ATOM 1149 N ASP A 68 2.683 0.841 -11.512 1.00 0.00 N ATOM 1150 CA ASP A 68 3.300 -0.471 -11.870 1.00 0.00 C ATOM 1151 C ASP A 68 4.038 -1.079 -10.672 1.00 0.00 C ATOM 1152 O ASP A 68 4.176 -2.280 -10.562 1.00 0.00 O ATOM 1153 CB ASP A 68 4.282 -0.149 -12.997 1.00 0.00 C ATOM 1154 CG ASP A 68 4.986 -1.430 -13.445 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.318 -2.447 -13.542 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.181 -1.373 -13.687 1.00 0.00 O ATOM 0 H ASP A 68 2.988 1.632 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 68 2.550 -1.202 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.752 0.300 -13.837 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.016 0.581 -12.656 1.00 0.00 H new ATOM 1161 N THR A 69 4.517 -0.262 -9.781 1.00 0.00 N ATOM 1162 CA THR A 69 5.253 -0.794 -8.597 1.00 0.00 C ATOM 1163 C THR A 69 4.277 -1.222 -7.499 1.00 0.00 C ATOM 1164 O THR A 69 4.334 -2.327 -6.997 1.00 0.00 O ATOM 1165 CB THR A 69 6.086 0.375 -8.110 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.551 1.126 -9.222 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.276 -0.133 -7.292 1.00 0.00 C ATOM 0 H THR A 69 4.432 0.754 -9.818 1.00 0.00 H new ATOM 0 HA THR A 69 5.853 -1.668 -8.850 1.00 0.00 H new ATOM 0 HB THR A 69 5.469 1.013 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.088 1.882 -8.905 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.868 0.714 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.913 -0.696 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.895 -0.779 -7.914 1.00 0.00 H new ATOM 1175 N ALA A 70 3.382 -0.351 -7.125 1.00 0.00 N ATOM 1176 CA ALA A 70 2.403 -0.695 -6.067 1.00 0.00 C ATOM 1177 C ALA A 70 1.454 -1.748 -6.606 1.00 0.00 C ATOM 1178 O ALA A 70 0.913 -2.551 -5.871 1.00 0.00 O ATOM 1179 CB ALA A 70 1.658 0.606 -5.766 1.00 0.00 C ATOM 0 H ALA A 70 3.289 0.588 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 70 2.870 -1.096 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.914 0.428 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.367 1.360 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.161 0.958 -6.670 1.00 0.00 H new ATOM 1185 N ARG A 71 1.275 -1.773 -7.896 1.00 0.00 N ATOM 1186 CA ARG A 71 0.398 -2.798 -8.478 1.00 0.00 C ATOM 1187 C ARG A 71 1.096 -4.131 -8.290 1.00 0.00 C ATOM 1188 O ARG A 71 0.489 -5.132 -7.967 1.00 0.00 O ATOM 1189 CB ARG A 71 0.274 -2.443 -9.961 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.608 -3.479 -10.662 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.895 -3.019 -12.093 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.369 -3.168 -12.258 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.909 -4.349 -12.456 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.170 -5.429 -12.503 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.200 -4.447 -12.605 1.00 0.00 N ATOM 0 H ARG A 71 1.700 -1.127 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.591 -2.849 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.157 -1.448 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.261 -2.417 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.110 -4.449 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.542 -3.607 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.583 -1.986 -12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.353 -3.626 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.966 -2.342 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.159 -5.361 -12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.605 -6.338 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.783 -3.611 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.628 -5.360 -12.759 1.00 0.00 H new ATOM 1209 N ARG A 72 2.392 -4.132 -8.452 1.00 0.00 N ATOM 1210 CA ARG A 72 3.155 -5.382 -8.255 1.00 0.00 C ATOM 1211 C ARG A 72 3.080 -5.779 -6.783 1.00 0.00 C ATOM 1212 O ARG A 72 2.842 -6.921 -6.442 1.00 0.00 O ATOM 1213 CB ARG A 72 4.592 -5.042 -8.653 1.00 0.00 C ATOM 1214 CG ARG A 72 4.936 -5.727 -9.977 1.00 0.00 C ATOM 1215 CD ARG A 72 6.017 -4.920 -10.701 1.00 0.00 C ATOM 1216 NE ARG A 72 6.688 -5.897 -11.607 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.547 -6.772 -11.137 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.822 -6.826 -9.858 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.133 -7.602 -11.956 1.00 0.00 N ATOM 0 H ARG A 72 2.949 -3.318 -8.712 1.00 0.00 H new ATOM 0 HA ARG A 72 2.769 -6.215 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.707 -3.962 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.282 -5.367 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.287 -6.743 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.046 -5.805 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.582 -4.094 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.725 -4.486 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 72 6.477 -5.885 -12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.367 -6.182 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.492 -7.512 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.923 -7.568 -12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.801 -8.285 -11.599 1.00 0.00 H new ATOM 1233 N LEU A 73 3.272 -4.831 -5.905 1.00 0.00 N ATOM 1234 CA LEU A 73 3.203 -5.128 -4.456 1.00 0.00 C ATOM 1235 C LEU A 73 1.787 -5.526 -4.080 1.00 0.00 C ATOM 1236 O LEU A 73 1.572 -6.263 -3.141 1.00 0.00 O ATOM 1237 CB LEU A 73 3.615 -3.833 -3.761 1.00 0.00 C ATOM 1238 CG LEU A 73 5.039 -3.479 -4.178 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.358 -2.044 -3.756 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.015 -4.440 -3.499 1.00 0.00 C ATOM 0 H LEU A 73 3.475 -3.859 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 73 3.851 -5.955 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.932 -3.027 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.558 -3.951 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 73 5.133 -3.564 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.376 -1.794 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.660 -1.359 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.266 -1.954 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.035 -4.191 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.918 -4.352 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.789 -5.462 -3.802 1.00 0.00 H new ATOM 1252 N LEU A 74 0.816 -5.080 -4.826 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.570 -5.489 -4.518 1.00 0.00 C ATOM 1254 C LEU A 74 -0.727 -6.938 -4.967 1.00 0.00 C ATOM 1255 O LEU A 74 -1.513 -7.693 -4.434 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.465 -4.548 -5.321 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.686 -3.268 -4.514 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.403 -2.232 -5.380 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.539 -3.581 -3.283 1.00 0.00 C ATOM 0 H LEU A 74 0.925 -4.457 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.826 -5.430 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.002 -4.314 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.420 -5.028 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.722 -2.870 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.559 -1.321 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.795 -2.007 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.367 -2.629 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.696 -2.669 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.502 -3.981 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.027 -4.317 -2.663 1.00 0.00 H new ATOM 1271 N ARG A 75 0.063 -7.337 -5.930 1.00 0.00 N ATOM 1272 CA ARG A 75 0.016 -8.734 -6.408 1.00 0.00 C ATOM 1273 C ARG A 75 0.893 -9.585 -5.499 1.00 0.00 C ATOM 1274 O ARG A 75 0.660 -10.762 -5.307 1.00 0.00 O ATOM 1275 CB ARG A 75 0.597 -8.691 -7.820 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.292 -9.496 -8.765 1.00 0.00 C ATOM 1277 CD ARG A 75 0.498 -10.679 -9.331 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.532 -11.578 -9.928 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.201 -12.753 -10.410 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.039 -13.171 -10.374 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.124 -13.515 -10.934 1.00 0.00 N ATOM 0 H ARG A 75 0.742 -6.742 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.989 -9.156 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.669 -7.659 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.608 -9.098 -7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.173 -9.855 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.646 -8.861 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.218 -10.351 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.061 -11.188 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.506 -11.276 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.765 -12.581 -9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.280 -14.087 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.092 -13.195 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.877 -14.430 -11.311 1.00 0.00 H new ATOM 1295 N GLN A 76 1.911 -8.988 -4.938 1.00 0.00 N ATOM 1296 CA GLN A 76 2.814 -9.739 -4.046 1.00 0.00 C ATOM 1297 C GLN A 76 2.246 -9.781 -2.641 1.00 0.00 C ATOM 1298 O GLN A 76 2.350 -10.766 -1.937 1.00 0.00 O ATOM 1299 CB GLN A 76 4.110 -8.952 -4.102 1.00 0.00 C ATOM 1300 CG GLN A 76 5.289 -9.872 -3.802 1.00 0.00 C ATOM 1301 CD GLN A 76 5.880 -10.372 -5.120 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.125 -11.551 -5.281 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.122 -9.517 -6.077 1.00 0.00 N ATOM 0 H GLN A 76 2.150 -8.005 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 76 2.952 -10.779 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.230 -8.502 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.082 -8.136 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.047 -9.338 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.963 -10.715 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.916 -8.527 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.517 -9.839 -6.961 1.00 0.00 H new ATOM 1312 N ALA A 77 1.623 -8.723 -2.243 1.00 0.00 N ATOM 1313 CA ALA A 77 1.009 -8.685 -0.895 1.00 0.00 C ATOM 1314 C ALA A 77 -0.173 -9.663 -0.835 1.00 0.00 C ATOM 1315 O ALA A 77 -0.725 -9.917 0.218 1.00 0.00 O ATOM 1316 CB ALA A 77 0.528 -7.245 -0.721 1.00 0.00 C ATOM 0 H ALA A 77 1.509 -7.873 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 77 1.706 -8.976 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.059 -7.134 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.378 -6.566 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.196 -7.007 -1.500 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.570 -10.212 -1.958 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.712 -11.166 -1.965 1.00 0.00 C ATOM 1324 C GLY A 78 -3.024 -10.385 -2.006 1.00 0.00 C ATOM 1325 O GLY A 78 -3.865 -10.530 -1.143 1.00 0.00 O ATOM 0 H GLY A 78 -0.148 -10.037 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.642 -11.828 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.679 -11.797 -1.077 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.207 -9.551 -2.996 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.463 -8.761 -3.072 1.00 0.00 C ATOM 1331 C VAL A 79 -5.346 -9.240 -4.227 1.00 0.00 C ATOM 1332 O VAL A 79 -6.476 -9.640 -4.031 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.034 -7.316 -3.308 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.257 -6.403 -3.204 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.996 -6.894 -2.261 1.00 0.00 C ATOM 0 H VAL A 79 -2.541 -9.386 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.048 -8.870 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.591 -7.234 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.955 -5.369 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.992 -6.693 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.697 -6.496 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.698 -5.861 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.429 -6.979 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.122 -7.542 -2.333 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.848 -9.189 -5.433 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.673 -9.626 -6.600 1.00 0.00 C ATOM 1347 C PHE A 80 -6.257 -11.020 -6.352 1.00 0.00 C ATOM 1348 O PHE A 80 -7.264 -11.389 -6.922 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.713 -9.662 -7.798 1.00 0.00 C ATOM 1350 CG PHE A 80 -3.993 -8.333 -7.983 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -4.384 -7.182 -7.275 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -2.919 -8.261 -8.878 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -3.701 -5.975 -7.467 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -2.238 -7.054 -9.067 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.629 -5.913 -8.363 1.00 0.00 C ATOM 0 H PHE A 80 -3.908 -8.865 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.511 -8.951 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.980 -10.456 -7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.270 -9.903 -8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.212 -7.229 -6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.615 -9.141 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.002 -5.092 -6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.409 -7.004 -9.758 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.103 -4.981 -8.511 1.00 0.00 H new ATOM 1365 N ARG A 81 -5.631 -11.798 -5.514 1.00 0.00 N ATOM 1366 CA ARG A 81 -6.151 -13.168 -5.242 1.00 0.00 C ATOM 1367 C ARG A 81 -6.676 -13.271 -3.808 1.00 0.00 C ATOM 1368 O ARG A 81 -5.917 -13.348 -2.862 1.00 0.00 O ATOM 1369 CB ARG A 81 -4.948 -14.090 -5.436 1.00 0.00 C ATOM 1370 CG ARG A 81 -5.023 -14.744 -6.816 1.00 0.00 C ATOM 1371 CD ARG A 81 -4.214 -16.043 -6.812 1.00 0.00 C ATOM 1372 NE ARG A 81 -4.825 -16.874 -5.733 1.00 0.00 N ATOM 1373 CZ ARG A 81 -4.162 -17.871 -5.194 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -2.948 -18.166 -5.589 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -4.720 -18.578 -4.250 1.00 0.00 N ATOM 0 H ARG A 81 -4.783 -11.546 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.981 -13.428 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.022 -13.522 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.934 -14.855 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.061 -14.951 -7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.634 -14.064 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.270 -16.546 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.160 -15.851 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.770 -16.665 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.504 -17.618 -6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.447 -18.944 -5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.664 -18.355 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.212 -19.354 -3.826 1.00 0.00 H new ATOM 1389 N GLN A 82 -7.970 -13.284 -3.639 1.00 0.00 N ATOM 1390 CA GLN A 82 -8.539 -13.394 -2.266 1.00 0.00 C ATOM 1391 C GLN A 82 -8.826 -14.862 -1.940 1.00 0.00 C ATOM 1392 O GLN A 82 -9.629 -15.505 -2.587 1.00 0.00 O ATOM 1393 CB GLN A 82 -9.839 -12.592 -2.307 1.00 0.00 C ATOM 1394 CG GLN A 82 -9.728 -11.392 -1.365 1.00 0.00 C ATOM 1395 CD GLN A 82 -11.077 -11.151 -0.687 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -11.363 -11.722 0.347 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -11.926 -10.321 -1.230 1.00 0.00 N ATOM 0 H GLN A 82 -8.657 -13.223 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.857 -13.020 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.037 -12.253 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.677 -13.223 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.959 -11.575 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.425 -10.505 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.686 -9.841 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.829 -10.152 -0.786 1.00 0.00 H new ATOM 1406 N GLU A 83 -8.175 -15.399 -0.945 1.00 0.00 N ATOM 1407 CA GLU A 83 -8.414 -16.827 -0.586 1.00 0.00 C ATOM 1408 C GLU A 83 -9.021 -16.930 0.818 1.00 0.00 C ATOM 1409 O GLU A 83 -9.682 -16.025 1.287 1.00 0.00 O ATOM 1410 CB GLU A 83 -7.034 -17.491 -0.637 1.00 0.00 C ATOM 1411 CG GLU A 83 -6.138 -16.930 0.473 1.00 0.00 C ATOM 1412 CD GLU A 83 -4.718 -17.474 0.308 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -4.013 -16.982 -0.557 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -4.360 -18.372 1.052 1.00 0.00 O ATOM 0 H GLU A 83 -7.490 -14.913 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.117 -17.310 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.137 -18.570 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.574 -17.317 -1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.128 -15.841 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.534 -17.208 1.450 1.00 0.00 H new ATOM 1421 N ALA A 84 -8.803 -18.028 1.489 1.00 0.00 N ATOM 1422 CA ALA A 84 -9.370 -18.191 2.858 1.00 0.00 C ATOM 1423 C ALA A 84 -8.244 -18.245 3.897 1.00 0.00 C ATOM 1424 O ALA A 84 -7.078 -18.293 3.561 1.00 0.00 O ATOM 1425 CB ALA A 84 -10.126 -19.519 2.818 1.00 0.00 C ATOM 0 H ALA A 84 -8.257 -18.819 1.148 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.018 -17.360 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.574 -19.712 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.909 -19.469 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.434 -20.324 2.571 1.00 0.00 H new ATOM 1431 N ARG A 85 -8.587 -18.238 5.156 1.00 0.00 N ATOM 1432 CA ARG A 85 -7.539 -18.290 6.215 1.00 0.00 C ATOM 1433 C ARG A 85 -7.984 -19.214 7.352 1.00 0.00 C ATOM 1434 O ARG A 85 -7.575 -19.061 8.486 1.00 0.00 O ATOM 1435 CB ARG A 85 -7.404 -16.849 6.710 1.00 0.00 C ATOM 1436 CG ARG A 85 -8.758 -16.356 7.222 1.00 0.00 C ATOM 1437 CD ARG A 85 -9.519 -15.670 6.083 1.00 0.00 C ATOM 1438 NE ARG A 85 -10.034 -14.401 6.673 1.00 0.00 N ATOM 1439 CZ ARG A 85 -11.018 -13.744 6.102 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -11.571 -14.186 5.000 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -11.450 -12.636 6.639 1.00 0.00 N ATOM 0 H ARG A 85 -9.547 -18.199 5.497 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.592 -18.681 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.661 -16.795 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.053 -16.207 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.339 -17.193 7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.614 -15.660 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.865 -15.473 5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.334 -16.296 5.720 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.617 -14.039 7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.238 -15.051 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.334 -13.665 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.024 -12.285 7.497 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.214 -12.121 6.201 1.00 0.00 H new ATOM 1455 N GLU A 86 -8.821 -20.170 7.056 1.00 0.00 N ATOM 1456 CA GLU A 86 -9.299 -21.106 8.115 1.00 0.00 C ATOM 1457 C GLU A 86 -8.116 -21.828 8.767 1.00 0.00 C ATOM 1458 O GLU A 86 -7.920 -21.761 9.964 1.00 0.00 O ATOM 1459 CB GLU A 86 -10.201 -22.100 7.383 1.00 0.00 C ATOM 1460 CG GLU A 86 -11.048 -22.868 8.399 1.00 0.00 C ATOM 1461 CD GLU A 86 -10.558 -24.316 8.482 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -9.388 -24.510 8.768 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -11.363 -25.205 8.259 1.00 0.00 O ATOM 0 H GLU A 86 -9.196 -20.344 6.124 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.827 -20.587 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.847 -21.572 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.596 -22.794 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.980 -22.393 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.097 -22.844 8.105 1.00 0.00 H new ATOM 1470 N GLY A 87 -7.327 -22.521 7.990 1.00 0.00 N ATOM 1471 CA GLY A 87 -6.161 -23.245 8.573 1.00 0.00 C ATOM 1472 C GLY A 87 -5.508 -24.120 7.500 1.00 0.00 C ATOM 1473 O GLY A 87 -5.162 -25.260 7.742 1.00 0.00 O ATOM 0 H GLY A 87 -7.439 -22.617 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.436 -22.531 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.486 -23.862 9.411 1.00 0.00 H new ATOM 1477 N ALA A 88 -5.335 -23.597 6.317 1.00 0.00 N ATOM 1478 CA ALA A 88 -4.703 -24.401 5.231 1.00 0.00 C ATOM 1479 C ALA A 88 -3.179 -24.373 5.371 1.00 0.00 C ATOM 1480 O ALA A 88 -2.699 -23.702 6.270 1.00 0.00 O ATOM 1481 CB ALA A 88 -5.134 -23.718 3.933 1.00 0.00 C ATOM 1482 OXT ALA A 88 -2.519 -25.024 4.578 1.00 0.00 O ATOM 0 H ALA A 88 -5.604 -22.649 6.055 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.005 -25.448 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.709 -24.251 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.222 -23.728 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.779 -22.687 3.929 1.00 0.00 H new TER 1488 ALA A 88