USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -173:sc= 0.931 USER MOD Set 1.2: A 94 SER OG : rot 77:sc= 1.09 USER MOD Set 2.1: A 41 TYR OH : rot -10:sc= 1.28 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.45 K(o=3.9,f=-5.3!) USER MOD Set 2.3: A 85 SER OG : rot -68:sc= 1.22 USER MOD Single : A 1 THR N :NH3+ 136:sc= 0.0326 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 169:sc= 1.18 USER MOD Single : A 7 THR OG1 : rot -44:sc= 0.0594 USER MOD Single : A 10 THR OG1 : rot -110:sc= -0.203 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0455 K(o=-0.046,f=-0.8) USER MOD Single : A 43 SER OG : rot -160:sc= -0.0601 USER MOD Single : A 45 SER OG : rot 79:sc= 1.24 USER MOD Single : A 46 SER OG : rot -162:sc= 0.0485 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0.126 USER MOD Single : A 68 SER OG : rot -53:sc= 1.03 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.153 USER MOD Single : A 81 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.11) USER MOD Single : A 86 GLN : amide:sc= 0.765 K(o=0.77,f=-0.084) USER MOD Single : A 87 MET CE :methyl 170:sc= 0 (180deg=-0.129) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 70:sc= 0.955 USER MOD Single : A 98 THR OG1 : rot -150:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -15.946 -1.175 1.372 1.00 0.00 N ATOM 2 CA THR A 1 -14.793 -1.472 0.511 1.00 0.00 C ATOM 3 C THR A 1 -14.451 -2.959 0.587 1.00 0.00 C ATOM 4 O THR A 1 -14.534 -3.554 1.662 1.00 0.00 O ATOM 5 CB THR A 1 -13.591 -0.533 0.717 1.00 0.00 C ATOM 6 OG1 THR A 1 -12.797 -0.588 -0.447 1.00 0.00 O ATOM 7 CG2 THR A 1 -12.695 -0.871 1.907 1.00 0.00 C ATOM 0 H1 THR A 1 -15.763 -0.303 1.908 1.00 0.00 H new ATOM 0 H2 THR A 1 -16.795 -1.049 0.784 1.00 0.00 H new ATOM 0 H3 THR A 1 -16.097 -1.963 2.034 1.00 0.00 H new ATOM 0 HA THR A 1 -15.087 -1.257 -0.516 1.00 0.00 H new ATOM 0 HB THR A 1 -14.009 0.453 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 1 -12.128 0.127 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 1 -11.879 -0.151 1.964 1.00 0.00 H new ATOM 0 HG22 THR A 1 -13.280 -0.830 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 1 -12.286 -1.873 1.781 1.00 0.00 H new ATOM 16 N ALA A 2 -14.157 -3.576 -0.555 1.00 0.00 N ATOM 17 CA ALA A 2 -13.957 -5.008 -0.724 1.00 0.00 C ATOM 18 C ALA A 2 -12.741 -5.165 -1.648 1.00 0.00 C ATOM 19 O ALA A 2 -12.466 -4.272 -2.459 1.00 0.00 O ATOM 20 CB ALA A 2 -15.218 -5.648 -1.316 1.00 0.00 C ATOM 0 H ALA A 2 -14.047 -3.063 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.774 -5.513 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.059 -6.719 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.060 -5.481 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.433 -5.200 -2.286 1.00 0.00 H new ATOM 26 N PRO A 3 -12.013 -6.286 -1.538 1.00 0.00 N ATOM 27 CA PRO A 3 -10.764 -6.471 -2.246 1.00 0.00 C ATOM 28 C PRO A 3 -10.758 -6.589 -3.760 1.00 0.00 C ATOM 29 O PRO A 3 -11.726 -7.018 -4.390 1.00 0.00 O ATOM 30 CB PRO A 3 -10.097 -7.690 -1.615 1.00 0.00 C ATOM 31 CG PRO A 3 -11.284 -8.495 -1.097 1.00 0.00 C ATOM 32 CD PRO A 3 -12.231 -7.397 -0.626 1.00 0.00 C ATOM 0 HA PRO A 3 -10.232 -5.527 -2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.513 -8.253 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.418 -7.408 -0.811 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.730 -9.112 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.000 -9.164 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.268 -7.732 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.018 -7.109 0.403 1.00 0.00 H new ATOM 40 N ILE A 4 -9.584 -6.254 -4.301 1.00 0.00 N ATOM 41 CA ILE A 4 -9.170 -6.368 -5.686 1.00 0.00 C ATOM 42 C ILE A 4 -7.859 -7.163 -5.653 1.00 0.00 C ATOM 43 O ILE A 4 -6.932 -6.780 -4.935 1.00 0.00 O ATOM 44 CB ILE A 4 -8.947 -4.978 -6.345 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.983 -3.882 -5.994 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.926 -5.163 -7.872 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.646 -3.118 -4.705 1.00 0.00 C ATOM 0 H ILE A 4 -8.840 -5.863 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.939 -6.858 -6.282 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.002 -4.615 -5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.048 -3.175 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.966 -4.341 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.770 -4.198 -8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.116 -5.840 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.876 -5.583 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.412 -2.365 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.610 -3.815 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.677 -2.631 -4.814 1.00 0.00 H new ATOM 59 N ALA A 5 -7.739 -8.245 -6.419 1.00 0.00 N ATOM 60 CA ALA A 5 -6.469 -8.952 -6.524 1.00 0.00 C ATOM 61 C ALA A 5 -5.675 -8.187 -7.579 1.00 0.00 C ATOM 62 O ALA A 5 -6.177 -7.938 -8.678 1.00 0.00 O ATOM 63 CB ALA A 5 -6.681 -10.418 -6.914 1.00 0.00 C ATOM 0 H ALA A 5 -8.498 -8.646 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.937 -8.984 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.716 -10.919 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.291 -10.911 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.187 -10.469 -7.878 1.00 0.00 H new ATOM 69 N ILE A 6 -4.463 -7.772 -7.231 1.00 0.00 N ATOM 70 CA ILE A 6 -3.610 -6.919 -8.046 1.00 0.00 C ATOM 71 C ILE A 6 -2.431 -7.737 -8.568 1.00 0.00 C ATOM 72 O ILE A 6 -2.089 -8.769 -8.004 1.00 0.00 O ATOM 73 CB ILE A 6 -3.281 -5.635 -7.248 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.741 -5.776 -5.809 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.559 -4.788 -7.147 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.337 -6.357 -5.701 1.00 0.00 C ATOM 0 H ILE A 6 -4.033 -8.030 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.101 -6.560 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.461 -5.198 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.749 -4.794 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.424 -6.408 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.348 -3.877 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.903 -4.528 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.334 -5.358 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.047 -6.416 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.322 -7.355 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.636 -5.716 -6.235 1.00 0.00 H new ATOM 88 N THR A 7 -1.795 -7.314 -9.659 1.00 0.00 N ATOM 89 CA THR A 7 -0.742 -8.105 -10.303 1.00 0.00 C ATOM 90 C THR A 7 0.642 -7.888 -9.659 1.00 0.00 C ATOM 91 O THR A 7 1.667 -8.248 -10.239 1.00 0.00 O ATOM 92 CB THR A 7 -0.815 -7.882 -11.824 1.00 0.00 C ATOM 93 OG1 THR A 7 -0.145 -8.904 -12.540 1.00 0.00 O ATOM 94 CG2 THR A 7 -0.264 -6.527 -12.272 1.00 0.00 C ATOM 0 H THR A 7 -1.990 -6.425 -10.119 1.00 0.00 H new ATOM 0 HA THR A 7 -0.912 -9.168 -10.134 1.00 0.00 H new ATOM 0 HB THR A 7 -1.880 -7.905 -12.054 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.713 -9.098 -12.108 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.348 -6.440 -13.355 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.834 -5.728 -11.799 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.784 -6.446 -11.982 1.00 0.00 H new ATOM 102 N CYS A 8 0.697 -7.299 -8.461 1.00 0.00 N ATOM 103 CA CYS A 8 1.903 -7.066 -7.666 1.00 0.00 C ATOM 104 C CYS A 8 2.966 -6.186 -8.342 1.00 0.00 C ATOM 105 O CYS A 8 4.095 -6.104 -7.867 1.00 0.00 O ATOM 106 CB CYS A 8 2.487 -8.406 -7.227 1.00 0.00 C ATOM 107 SG CYS A 8 1.431 -9.450 -6.226 1.00 0.00 S ATOM 0 H CYS A 8 -0.143 -6.954 -7.997 1.00 0.00 H new ATOM 0 HA CYS A 8 1.591 -6.486 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.770 -8.964 -8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.403 -8.212 -6.669 1.00 0.00 H new ATOM 112 N PHE A 9 2.613 -5.498 -9.425 1.00 0.00 N ATOM 113 CA PHE A 9 3.454 -4.507 -10.102 1.00 0.00 C ATOM 114 C PHE A 9 2.695 -3.164 -10.097 1.00 0.00 C ATOM 115 O PHE A 9 3.130 -2.150 -10.639 1.00 0.00 O ATOM 116 CB PHE A 9 3.845 -4.995 -11.504 1.00 0.00 C ATOM 117 CG PHE A 9 5.083 -4.303 -12.046 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.356 -4.764 -11.661 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.983 -3.194 -12.907 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.515 -4.127 -12.136 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.142 -2.550 -13.376 1.00 0.00 C ATOM 122 CZ PHE A 9 7.410 -3.018 -12.993 1.00 0.00 C ATOM 0 H PHE A 9 1.704 -5.617 -9.872 1.00 0.00 H new ATOM 0 HA PHE A 9 4.400 -4.363 -9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.020 -6.070 -11.473 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.012 -4.827 -12.187 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.442 -5.612 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.010 -2.835 -13.209 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.489 -4.490 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.057 -1.695 -14.031 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.301 -2.527 -13.356 1.00 0.00 H new ATOM 132 N THR A 10 1.511 -3.176 -9.493 1.00 0.00 N ATOM 133 CA THR A 10 0.574 -2.115 -9.247 1.00 0.00 C ATOM 134 C THR A 10 1.241 -1.066 -8.350 1.00 0.00 C ATOM 135 O THR A 10 1.938 -1.412 -7.388 1.00 0.00 O ATOM 136 CB THR A 10 -0.608 -2.825 -8.554 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.822 -4.103 -9.158 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.900 -2.019 -8.608 1.00 0.00 C ATOM 0 H THR A 10 1.151 -4.054 -9.120 1.00 0.00 H new ATOM 0 HA THR A 10 0.242 -1.584 -10.139 1.00 0.00 H new ATOM 0 HB THR A 10 -0.340 -2.935 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.661 -4.089 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.694 -2.570 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.752 -1.060 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.180 -1.849 -9.648 1.00 0.00 H new ATOM 146 N ARG A 11 1.039 0.216 -8.650 1.00 0.00 N ATOM 147 CA ARG A 11 1.503 1.330 -7.825 1.00 0.00 C ATOM 148 C ARG A 11 0.310 1.938 -7.099 1.00 0.00 C ATOM 149 O ARG A 11 -0.835 1.658 -7.456 1.00 0.00 O ATOM 150 CB ARG A 11 2.218 2.361 -8.714 1.00 0.00 C ATOM 151 CG ARG A 11 3.453 1.745 -9.389 1.00 0.00 C ATOM 152 CD ARG A 11 4.248 2.780 -10.188 1.00 0.00 C ATOM 153 NE ARG A 11 3.677 3.004 -11.527 1.00 0.00 N ATOM 154 CZ ARG A 11 4.309 2.881 -12.702 1.00 0.00 C ATOM 155 NH1 ARG A 11 5.470 2.248 -12.808 1.00 0.00 N ATOM 156 NH2 ARG A 11 3.748 3.399 -13.786 1.00 0.00 N ATOM 0 H ARG A 11 0.540 0.515 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 11 2.217 0.985 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.530 2.730 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.518 3.219 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.097 1.301 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.139 0.939 -10.052 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.268 3.722 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.281 2.446 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 11 2.696 3.282 -11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.905 1.839 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.927 2.170 -13.716 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.851 3.880 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.213 3.316 -14.690 1.00 0.00 H new ATOM 170 N GLY A 12 0.558 2.805 -6.117 1.00 0.00 N ATOM 171 CA GLY A 12 -0.502 3.553 -5.440 1.00 0.00 C ATOM 172 C GLY A 12 -1.319 4.398 -6.424 1.00 0.00 C ATOM 173 O GLY A 12 -2.484 4.692 -6.159 1.00 0.00 O ATOM 0 H GLY A 12 1.495 3.008 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.163 2.858 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.062 4.201 -4.682 1.00 0.00 H new ATOM 177 N LEU A 13 -0.774 4.654 -7.621 1.00 0.00 N ATOM 178 CA LEU A 13 -1.417 5.446 -8.660 1.00 0.00 C ATOM 179 C LEU A 13 -2.627 4.678 -9.187 1.00 0.00 C ATOM 180 O LEU A 13 -3.587 5.292 -9.651 1.00 0.00 O ATOM 181 CB LEU A 13 -0.479 5.622 -9.879 1.00 0.00 C ATOM 182 CG LEU A 13 0.964 6.107 -9.646 1.00 0.00 C ATOM 183 CD1 LEU A 13 1.763 5.980 -10.945 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.040 7.560 -9.184 1.00 0.00 C ATOM 0 H LEU A 13 0.145 4.306 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.681 6.411 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.425 4.663 -10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.956 6.324 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 13 1.377 5.480 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.784 6.323 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.778 4.937 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.297 6.589 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.083 7.841 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.593 8.206 -9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.499 7.672 -8.245 1.00 0.00 H new ATOM 196 N ASP A 14 -2.576 3.346 -9.164 1.00 0.00 N ATOM 197 CA ASP A 14 -3.598 2.490 -9.740 1.00 0.00 C ATOM 198 C ASP A 14 -4.848 2.411 -8.877 1.00 0.00 C ATOM 199 O ASP A 14 -5.948 2.305 -9.424 1.00 0.00 O ATOM 200 CB ASP A 14 -3.047 1.079 -9.974 1.00 0.00 C ATOM 201 CG ASP A 14 -2.027 1.058 -11.104 1.00 0.00 C ATOM 202 OD1 ASP A 14 -2.410 1.382 -12.249 1.00 0.00 O ATOM 203 OD2 ASP A 14 -0.839 0.721 -10.874 1.00 0.00 O ATOM 0 H ASP A 14 -1.808 2.829 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.881 2.939 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.584 0.712 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.867 0.402 -10.211 1.00 0.00 H new ATOM 208 N ILE A 15 -4.725 2.439 -7.544 1.00 0.00 N ATOM 209 CA ILE A 15 -5.856 2.245 -6.637 1.00 0.00 C ATOM 210 C ILE A 15 -5.897 3.441 -5.675 1.00 0.00 C ATOM 211 O ILE A 15 -5.305 3.430 -4.597 1.00 0.00 O ATOM 212 CB ILE A 15 -5.774 0.827 -5.997 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.844 -0.255 -7.110 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.891 0.555 -4.976 1.00 0.00 C ATOM 215 CD1 ILE A 15 -6.079 -1.697 -6.636 1.00 0.00 C ATOM 0 H ILE A 15 -3.837 2.597 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.822 2.243 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.824 0.784 -5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.644 0.014 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.912 -0.227 -7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.775 -0.449 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.830 1.284 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.861 0.638 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.109 -2.363 -7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.268 -1.999 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.026 -1.754 -6.100 1.00 0.00 H new ATOM 227 N ARG A 16 -6.688 4.454 -6.047 1.00 0.00 N ATOM 228 CA ARG A 16 -6.874 5.711 -5.319 1.00 0.00 C ATOM 229 C ARG A 16 -8.287 5.866 -4.758 1.00 0.00 C ATOM 230 O ARG A 16 -8.810 6.983 -4.689 1.00 0.00 O ATOM 231 CB ARG A 16 -6.424 6.906 -6.185 1.00 0.00 C ATOM 232 CG ARG A 16 -4.900 7.117 -6.158 1.00 0.00 C ATOM 233 CD ARG A 16 -4.545 8.606 -6.283 1.00 0.00 C ATOM 234 NE ARG A 16 -5.081 9.410 -5.165 1.00 0.00 N ATOM 235 CZ ARG A 16 -5.154 10.743 -5.094 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.775 11.503 -6.114 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.618 11.298 -3.981 1.00 0.00 N ATOM 0 H ARG A 16 -7.241 4.416 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.230 5.689 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.747 6.746 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.919 7.811 -5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.491 6.719 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.438 6.560 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.461 8.716 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.936 8.992 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.433 8.892 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.422 11.071 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.837 12.519 -6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.910 10.709 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.682 12.313 -3.906 1.00 0.00 H new ATOM 251 N LYS A 17 -8.943 4.766 -4.382 1.00 0.00 N ATOM 252 CA LYS A 17 -10.235 4.875 -3.702 1.00 0.00 C ATOM 253 C LYS A 17 -9.898 5.356 -2.287 1.00 0.00 C ATOM 254 O LYS A 17 -8.716 5.386 -1.916 1.00 0.00 O ATOM 255 CB LYS A 17 -10.995 3.536 -3.681 1.00 0.00 C ATOM 256 CG LYS A 17 -11.234 2.961 -5.091 1.00 0.00 C ATOM 257 CD LYS A 17 -10.184 1.896 -5.437 1.00 0.00 C ATOM 258 CE LYS A 17 -10.094 1.542 -6.928 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.359 1.045 -7.499 1.00 0.00 N ATOM 0 H LYS A 17 -8.612 3.813 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.902 5.565 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.432 2.814 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.955 3.676 -3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.231 2.524 -5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.198 3.765 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.208 2.246 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.408 0.989 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.778 2.425 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.322 0.785 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.223 0.827 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.653 0.184 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.095 1.773 -7.399 1.00 0.00 H new ATOM 273 N GLU A 18 -10.884 5.750 -1.480 1.00 0.00 N ATOM 274 CA GLU A 18 -10.532 6.270 -0.162 1.00 0.00 C ATOM 275 C GLU A 18 -9.834 5.193 0.679 1.00 0.00 C ATOM 276 O GLU A 18 -8.847 5.488 1.359 1.00 0.00 O ATOM 277 CB GLU A 18 -11.716 6.913 0.562 1.00 0.00 C ATOM 278 CG GLU A 18 -11.202 7.537 1.869 1.00 0.00 C ATOM 279 CD GLU A 18 -12.122 8.601 2.440 1.00 0.00 C ATOM 280 OE1 GLU A 18 -12.487 9.542 1.697 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.389 8.546 3.659 1.00 0.00 O ATOM 0 H GLU A 18 -11.880 5.722 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.819 7.081 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.177 7.675 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.482 6.167 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.069 6.749 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.220 7.976 1.690 1.00 0.00 H new ATOM 288 N LYS A 19 -10.296 3.949 0.598 1.00 0.00 N ATOM 289 CA LYS A 19 -9.681 2.788 1.224 1.00 0.00 C ATOM 290 C LYS A 19 -10.027 1.584 0.359 1.00 0.00 C ATOM 291 O LYS A 19 -11.110 1.545 -0.232 1.00 0.00 O ATOM 292 CB LYS A 19 -10.116 2.660 2.699 1.00 0.00 C ATOM 293 CG LYS A 19 -11.589 2.999 2.996 1.00 0.00 C ATOM 294 CD LYS A 19 -11.881 3.021 4.506 1.00 0.00 C ATOM 295 CE LYS A 19 -13.019 4.017 4.764 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.487 4.017 6.162 1.00 0.00 N ATOM 0 H LYS A 19 -11.140 3.715 0.075 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.596 2.877 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.925 1.638 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.484 3.312 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.832 3.971 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.235 2.266 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.161 2.026 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.989 3.312 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.682 5.020 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.856 3.780 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.255 4.710 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.837 3.070 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.699 4.271 6.792 1.00 0.00 H new ATOM 310 N ALA A 20 -9.101 0.643 0.217 1.00 0.00 N ATOM 311 CA ALA A 20 -9.241 -0.505 -0.661 1.00 0.00 C ATOM 312 C ALA A 20 -8.437 -1.650 -0.078 1.00 0.00 C ATOM 313 O ALA A 20 -7.291 -1.467 0.328 1.00 0.00 O ATOM 314 CB ALA A 20 -8.725 -0.162 -2.064 1.00 0.00 C ATOM 0 H ALA A 20 -8.214 0.660 0.721 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.291 -0.787 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.835 -1.030 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.300 0.670 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.673 0.118 -2.006 1.00 0.00 H new ATOM 320 N ASP A 21 -9.006 -2.844 -0.111 1.00 0.00 N ATOM 321 CA ASP A 21 -8.325 -4.049 0.336 1.00 0.00 C ATOM 322 C ASP A 21 -7.697 -4.632 -0.931 1.00 0.00 C ATOM 323 O ASP A 21 -8.281 -4.518 -2.010 1.00 0.00 O ATOM 324 CB ASP A 21 -9.335 -5.004 1.004 1.00 0.00 C ATOM 325 CG ASP A 21 -10.048 -4.386 2.215 1.00 0.00 C ATOM 326 OD1 ASP A 21 -9.452 -3.526 2.898 1.00 0.00 O ATOM 327 OD2 ASP A 21 -11.242 -4.700 2.447 1.00 0.00 O ATOM 0 H ASP A 21 -9.955 -3.006 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.560 -3.864 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.080 -5.306 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.815 -5.908 1.320 1.00 0.00 H new ATOM 332 N VAL A 22 -6.491 -5.198 -0.874 1.00 0.00 N ATOM 333 CA VAL A 22 -5.887 -5.813 -2.062 1.00 0.00 C ATOM 334 C VAL A 22 -5.244 -7.168 -1.737 1.00 0.00 C ATOM 335 O VAL A 22 -4.974 -7.458 -0.568 1.00 0.00 O ATOM 336 CB VAL A 22 -4.945 -4.821 -2.787 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.592 -3.470 -3.137 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.661 -4.539 -1.997 1.00 0.00 C ATOM 0 H VAL A 22 -5.918 -5.245 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.680 -6.041 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.709 -5.339 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.862 -2.837 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.446 -3.635 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.927 -2.979 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.039 -3.838 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.917 -4.109 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.114 -5.470 -1.848 1.00 0.00 H new ATOM 348 N LEU A 23 -4.984 -7.999 -2.753 1.00 0.00 N ATOM 349 CA LEU A 23 -4.267 -9.273 -2.633 1.00 0.00 C ATOM 350 C LEU A 23 -3.090 -9.237 -3.589 1.00 0.00 C ATOM 351 O LEU A 23 -3.272 -8.835 -4.738 1.00 0.00 O ATOM 352 CB LEU A 23 -5.107 -10.505 -3.035 1.00 0.00 C ATOM 353 CG LEU A 23 -6.331 -10.893 -2.198 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.999 -10.912 -0.708 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.534 -9.994 -2.475 1.00 0.00 C ATOM 0 H LEU A 23 -5.275 -7.797 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.990 -9.375 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.448 -10.347 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.437 -11.365 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.609 -11.903 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.887 -11.191 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.207 -11.637 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.666 -9.922 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.375 -10.310 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.278 -8.961 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.809 -10.068 -3.527 1.00 0.00 H new ATOM 367 N CYS A 24 -1.928 -9.718 -3.146 1.00 0.00 N ATOM 368 CA CYS A 24 -0.742 -9.850 -3.970 1.00 0.00 C ATOM 369 C CYS A 24 -0.376 -11.335 -4.170 1.00 0.00 C ATOM 370 O CYS A 24 0.130 -11.955 -3.226 1.00 0.00 O ATOM 371 CB CYS A 24 0.406 -9.027 -3.373 1.00 0.00 C ATOM 372 SG CYS A 24 1.973 -9.178 -4.275 1.00 0.00 S ATOM 0 H CYS A 24 -1.790 -10.031 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.944 -9.448 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.112 -7.978 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.562 -9.338 -2.340 1.00 0.00 H new ATOM 377 N PRO A 25 -0.647 -11.929 -5.350 1.00 0.00 N ATOM 378 CA PRO A 25 -0.234 -13.282 -5.708 1.00 0.00 C ATOM 379 C PRO A 25 1.290 -13.397 -5.922 1.00 0.00 C ATOM 380 O PRO A 25 2.042 -12.423 -5.841 1.00 0.00 O ATOM 381 CB PRO A 25 -1.008 -13.616 -6.987 1.00 0.00 C ATOM 382 CG PRO A 25 -1.235 -12.261 -7.640 1.00 0.00 C ATOM 383 CD PRO A 25 -1.428 -11.353 -6.435 1.00 0.00 C ATOM 0 HA PRO A 25 -0.454 -13.983 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.439 -14.282 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.951 -14.116 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.384 -11.955 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.109 -12.264 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.094 -10.339 -6.657 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.482 -11.290 -6.163 1.00 0.00 H new ATOM 391 N GLY A 26 1.758 -14.604 -6.241 1.00 0.00 N ATOM 392 CA GLY A 26 3.162 -14.900 -6.453 1.00 0.00 C ATOM 393 C GLY A 26 3.924 -14.753 -5.147 1.00 0.00 C ATOM 394 O GLY A 26 3.407 -15.143 -4.097 1.00 0.00 O ATOM 0 H GLY A 26 1.153 -15.416 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.275 -15.913 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.576 -14.226 -7.203 1.00 0.00 H new ATOM 398 N GLY A 27 5.150 -14.240 -5.216 1.00 0.00 N ATOM 399 CA GLY A 27 5.959 -13.931 -4.042 1.00 0.00 C ATOM 400 C GLY A 27 6.359 -12.458 -3.958 1.00 0.00 C ATOM 401 O GLY A 27 6.590 -11.971 -2.856 1.00 0.00 O ATOM 0 H GLY A 27 5.614 -14.025 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.403 -14.202 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.859 -14.545 -4.057 1.00 0.00 H new ATOM 405 N CYS A 28 6.279 -11.723 -5.075 1.00 0.00 N ATOM 406 CA CYS A 28 6.720 -10.348 -5.286 1.00 0.00 C ATOM 407 C CYS A 28 8.094 -10.112 -4.608 1.00 0.00 C ATOM 408 O CYS A 28 8.159 -9.520 -3.530 1.00 0.00 O ATOM 409 CB CYS A 28 5.609 -9.389 -4.828 1.00 0.00 C ATOM 410 SG CYS A 28 5.726 -7.746 -5.574 1.00 0.00 S ATOM 0 H CYS A 28 5.868 -12.113 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 28 6.887 -10.148 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.640 -9.823 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.648 -9.291 -3.743 1.00 0.00 H new ATOM 415 N PRO A 29 9.194 -10.605 -5.219 1.00 0.00 N ATOM 416 CA PRO A 29 10.539 -10.587 -4.643 1.00 0.00 C ATOM 417 C PRO A 29 11.049 -9.174 -4.395 1.00 0.00 C ATOM 418 O PRO A 29 10.751 -8.263 -5.172 1.00 0.00 O ATOM 419 CB PRO A 29 11.422 -11.359 -5.626 1.00 0.00 C ATOM 420 CG PRO A 29 10.739 -11.110 -6.968 1.00 0.00 C ATOM 421 CD PRO A 29 9.258 -11.055 -6.605 1.00 0.00 C ATOM 0 HA PRO A 29 10.547 -11.051 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.448 -10.992 -5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.462 -12.421 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.076 -10.179 -7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.949 -11.908 -7.680 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.722 -10.370 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.793 -12.034 -6.718 1.00 0.00 H new ATOM 429 N LEU A 30 11.866 -8.989 -3.348 1.00 0.00 N ATOM 430 CA LEU A 30 12.290 -7.646 -2.968 1.00 0.00 C ATOM 431 C LEU A 30 13.607 -7.388 -3.705 1.00 0.00 C ATOM 432 O LEU A 30 14.663 -7.152 -3.110 1.00 0.00 O ATOM 433 CB LEU A 30 12.480 -7.582 -1.427 1.00 0.00 C ATOM 434 CG LEU A 30 11.480 -8.338 -0.525 1.00 0.00 C ATOM 435 CD1 LEU A 30 11.715 -7.952 0.938 1.00 0.00 C ATOM 436 CD2 LEU A 30 9.997 -8.159 -0.854 1.00 0.00 C ATOM 0 H LEU A 30 12.237 -9.739 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 30 11.553 -6.888 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.478 -7.957 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.461 -6.532 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 30 11.687 -9.391 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.009 -8.486 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.733 -8.216 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.571 -6.878 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.396 -8.738 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.732 -7.105 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.805 -8.507 -1.869 1.00 0.00 H new ATOM 448 N GLU A 31 13.522 -7.388 -5.030 1.00 0.00 N ATOM 449 CA GLU A 31 14.594 -7.043 -5.940 1.00 0.00 C ATOM 450 C GLU A 31 14.464 -5.593 -6.396 1.00 0.00 C ATOM 451 O GLU A 31 15.289 -4.725 -6.095 1.00 0.00 O ATOM 452 CB GLU A 31 14.643 -8.050 -7.102 1.00 0.00 C ATOM 453 CG GLU A 31 15.988 -7.949 -7.837 1.00 0.00 C ATOM 454 CD GLU A 31 16.046 -8.800 -9.107 1.00 0.00 C ATOM 455 OE1 GLU A 31 15.439 -9.890 -9.166 1.00 0.00 O ATOM 456 OE2 GLU A 31 16.712 -8.377 -10.083 1.00 0.00 O ATOM 0 H GLU A 31 12.662 -7.641 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 31 15.553 -7.113 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.504 -9.062 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.826 -7.855 -7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.175 -6.907 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.787 -8.258 -7.163 1.00 0.00 H new ATOM 463 N GLU A 32 13.362 -5.334 -7.102 1.00 0.00 N ATOM 464 CA GLU A 32 13.080 -4.081 -7.768 1.00 0.00 C ATOM 465 C GLU A 32 11.875 -3.365 -7.145 1.00 0.00 C ATOM 466 O GLU A 32 10.761 -3.465 -7.663 1.00 0.00 O ATOM 467 CB GLU A 32 12.802 -4.422 -9.246 1.00 0.00 C ATOM 468 CG GLU A 32 13.921 -5.166 -9.991 1.00 0.00 C ATOM 469 CD GLU A 32 13.306 -6.104 -11.027 1.00 0.00 C ATOM 470 OE1 GLU A 32 13.078 -5.667 -12.183 1.00 0.00 O ATOM 471 OE2 GLU A 32 12.943 -7.246 -10.660 1.00 0.00 O ATOM 0 H GLU A 32 12.620 -6.023 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 32 13.926 -3.401 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.897 -5.027 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.593 -3.494 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.584 -4.452 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.527 -5.734 -9.285 1.00 0.00 H new ATOM 478 N PHE A 33 12.095 -2.540 -6.120 1.00 0.00 N ATOM 479 CA PHE A 33 11.073 -1.689 -5.518 1.00 0.00 C ATOM 480 C PHE A 33 11.705 -0.367 -5.126 1.00 0.00 C ATOM 481 O PHE A 33 12.683 -0.344 -4.371 1.00 0.00 O ATOM 482 CB PHE A 33 10.440 -2.286 -4.250 1.00 0.00 C ATOM 483 CG PHE A 33 9.684 -3.586 -4.410 1.00 0.00 C ATOM 484 CD1 PHE A 33 8.813 -3.797 -5.499 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.873 -4.601 -3.458 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.249 -5.065 -5.709 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.254 -5.843 -3.641 1.00 0.00 C ATOM 488 CZ PHE A 33 8.501 -6.093 -4.789 1.00 0.00 C ATOM 0 H PHE A 33 13.009 -2.444 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 33 10.287 -1.578 -6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.231 -2.442 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 33 9.758 -1.546 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.580 -2.984 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.492 -4.424 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.626 -5.248 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.360 -6.612 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.110 -7.083 -4.970 1.00 0.00 H new ATOM 498 N SER A 34 11.125 0.720 -5.619 1.00 0.00 N ATOM 499 CA SER A 34 11.484 2.071 -5.261 1.00 0.00 C ATOM 500 C SER A 34 10.254 2.570 -4.514 1.00 0.00 C ATOM 501 O SER A 34 9.126 2.489 -5.017 1.00 0.00 O ATOM 502 CB SER A 34 11.789 2.876 -6.525 1.00 0.00 C ATOM 503 OG SER A 34 12.580 4.012 -6.238 1.00 0.00 O ATOM 0 H SER A 34 10.368 0.675 -6.301 1.00 0.00 H new ATOM 0 HA SER A 34 12.382 2.157 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.308 2.243 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.855 3.190 -6.992 1.00 0.00 H new ATOM 0 HG SER A 34 12.759 4.504 -7.067 1.00 0.00 H new ATOM 509 N VAL A 35 10.451 3.004 -3.276 1.00 0.00 N ATOM 510 CA VAL A 35 9.382 3.508 -2.437 1.00 0.00 C ATOM 511 C VAL A 35 9.685 4.988 -2.226 1.00 0.00 C ATOM 512 O VAL A 35 10.841 5.425 -2.290 1.00 0.00 O ATOM 513 CB VAL A 35 9.262 2.636 -1.171 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.083 3.045 -0.292 1.00 0.00 C ATOM 515 CG2 VAL A 35 9.051 1.159 -1.541 1.00 0.00 C ATOM 0 H VAL A 35 11.366 3.014 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 35 8.387 3.442 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 35 10.195 2.779 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.043 2.400 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.207 4.081 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.156 2.946 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.969 0.564 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.136 1.057 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.898 0.807 -2.130 1.00 0.00 H new ATOM 525 N TYR A 36 8.644 5.776 -1.988 1.00 0.00 N ATOM 526 CA TYR A 36 8.753 7.212 -1.903 1.00 0.00 C ATOM 527 C TYR A 36 8.087 7.641 -0.598 1.00 0.00 C ATOM 528 O TYR A 36 6.859 7.736 -0.525 1.00 0.00 O ATOM 529 CB TYR A 36 8.154 7.857 -3.158 1.00 0.00 C ATOM 530 CG TYR A 36 8.670 7.422 -4.524 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.377 6.136 -5.017 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.332 8.341 -5.364 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.795 5.735 -6.295 1.00 0.00 C ATOM 534 CE2 TYR A 36 9.741 7.954 -6.655 1.00 0.00 C ATOM 535 CZ TYR A 36 9.487 6.644 -7.122 1.00 0.00 C ATOM 536 OH TYR A 36 9.910 6.263 -8.362 1.00 0.00 O ATOM 0 H TYR A 36 7.696 5.426 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 36 9.789 7.549 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.079 7.679 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.300 8.934 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.820 5.446 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.526 9.345 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.588 4.734 -6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.251 8.662 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 36 10.368 7.013 -8.796 1.00 0.00 H new ATOM 546 N GLY A 37 8.913 7.853 0.428 1.00 0.00 N ATOM 547 CA GLY A 37 8.527 8.144 1.799 1.00 0.00 C ATOM 548 C GLY A 37 8.038 6.881 2.505 1.00 0.00 C ATOM 549 O GLY A 37 7.524 5.966 1.865 1.00 0.00 O ATOM 0 H GLY A 37 9.926 7.823 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.376 8.562 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.740 8.899 1.808 1.00 0.00 H new ATOM 553 N ASN A 38 8.227 6.800 3.822 1.00 0.00 N ATOM 554 CA ASN A 38 7.691 5.713 4.644 1.00 0.00 C ATOM 555 C ASN A 38 6.372 6.179 5.262 1.00 0.00 C ATOM 556 O ASN A 38 6.193 7.385 5.433 1.00 0.00 O ATOM 557 CB ASN A 38 8.661 5.319 5.757 1.00 0.00 C ATOM 558 CG ASN A 38 8.601 6.225 6.978 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.830 7.426 6.894 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.259 5.664 8.121 1.00 0.00 N ATOM 0 H ASN A 38 8.759 7.490 4.352 1.00 0.00 H new ATOM 0 HA ASN A 38 7.538 4.839 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.448 4.296 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.676 5.327 5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.179 6.232 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.074 4.662 8.162 1.00 0.00 H new ATOM 567 N ILE A 39 5.493 5.265 5.687 1.00 0.00 N ATOM 568 CA ILE A 39 4.141 5.545 6.194 1.00 0.00 C ATOM 569 C ILE A 39 3.323 6.274 5.137 1.00 0.00 C ATOM 570 O ILE A 39 2.419 5.656 4.583 1.00 0.00 O ATOM 571 CB ILE A 39 4.149 6.236 7.578 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.703 5.298 8.661 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.758 6.741 8.005 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.739 4.175 9.062 1.00 0.00 C ATOM 0 H ILE A 39 5.711 4.269 5.688 1.00 0.00 H new ATOM 0 HA ILE A 39 3.641 4.595 6.381 1.00 0.00 H new ATOM 0 HB ILE A 39 4.800 7.104 7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.633 4.855 8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.949 5.885 9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.828 7.216 8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.394 7.465 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.066 5.900 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.202 3.556 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.818 4.608 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.512 3.562 8.190 1.00 0.00 H new ATOM 586 N VAL A 40 3.561 7.566 4.917 1.00 0.00 N ATOM 587 CA VAL A 40 2.946 8.314 3.843 1.00 0.00 C ATOM 588 C VAL A 40 3.786 7.867 2.649 1.00 0.00 C ATOM 589 O VAL A 40 4.858 8.419 2.385 1.00 0.00 O ATOM 590 CB VAL A 40 3.041 9.831 4.106 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.552 10.664 2.912 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.276 10.235 5.369 1.00 0.00 C ATOM 0 H VAL A 40 4.195 8.121 5.491 1.00 0.00 H new ATOM 0 HA VAL A 40 1.879 8.136 3.708 1.00 0.00 H new ATOM 0 HB VAL A 40 4.100 10.044 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.639 11.725 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.159 10.436 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.510 10.424 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.366 11.311 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.224 9.971 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.692 9.711 6.230 1.00 0.00 H new ATOM 602 N TYR A 41 3.301 6.839 1.972 1.00 0.00 N ATOM 603 CA TYR A 41 3.842 6.318 0.745 1.00 0.00 C ATOM 604 C TYR A 41 3.208 7.192 -0.324 1.00 0.00 C ATOM 605 O TYR A 41 1.979 7.235 -0.448 1.00 0.00 O ATOM 606 CB TYR A 41 3.471 4.829 0.612 1.00 0.00 C ATOM 607 CG TYR A 41 4.109 3.956 1.684 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.495 3.756 1.666 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.355 3.410 2.738 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.145 3.064 2.702 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.994 2.736 3.799 1.00 0.00 C ATOM 612 CZ TYR A 41 5.399 2.576 3.795 1.00 0.00 C ATOM 613 OH TYR A 41 6.038 2.057 4.883 1.00 0.00 O ATOM 0 H TYR A 41 2.478 6.325 2.286 1.00 0.00 H new ATOM 0 HA TYR A 41 4.930 6.349 0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.387 4.725 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.778 4.471 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.075 4.141 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.279 3.508 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.213 2.906 2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.409 2.341 4.616 1.00 0.00 H new ATOM 0 HH TYR A 41 6.992 1.952 4.683 1.00 0.00 H new ATOM 623 N ALA A 42 4.006 7.983 -1.038 1.00 0.00 N ATOM 624 CA ALA A 42 3.456 8.734 -2.154 1.00 0.00 C ATOM 625 C ALA A 42 2.955 7.731 -3.193 1.00 0.00 C ATOM 626 O ALA A 42 3.538 6.655 -3.356 1.00 0.00 O ATOM 627 CB ALA A 42 4.500 9.662 -2.746 1.00 0.00 C ATOM 0 H ALA A 42 5.003 8.116 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 42 2.631 9.361 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.066 10.214 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.838 10.364 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.348 9.076 -3.101 1.00 0.00 H new ATOM 633 N SER A 43 1.915 8.120 -3.925 1.00 0.00 N ATOM 634 CA SER A 43 1.180 7.302 -4.881 1.00 0.00 C ATOM 635 C SER A 43 2.072 6.592 -5.914 1.00 0.00 C ATOM 636 O SER A 43 1.762 5.481 -6.333 1.00 0.00 O ATOM 637 CB SER A 43 0.146 8.231 -5.522 1.00 0.00 C ATOM 638 OG SER A 43 -0.903 7.543 -6.140 1.00 0.00 O ATOM 0 H SER A 43 1.543 9.068 -3.862 1.00 0.00 H new ATOM 0 HA SER A 43 0.698 6.469 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.262 8.893 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.642 8.863 -6.259 1.00 0.00 H new ATOM 0 HG SER A 43 -1.346 8.133 -6.785 1.00 0.00 H new ATOM 644 N VAL A 44 3.204 7.184 -6.296 1.00 0.00 N ATOM 645 CA VAL A 44 4.153 6.600 -7.242 1.00 0.00 C ATOM 646 C VAL A 44 4.807 5.299 -6.712 1.00 0.00 C ATOM 647 O VAL A 44 5.316 4.505 -7.501 1.00 0.00 O ATOM 648 CB VAL A 44 5.139 7.718 -7.667 1.00 0.00 C ATOM 649 CG1 VAL A 44 5.833 8.398 -6.475 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.170 7.257 -8.701 1.00 0.00 C ATOM 0 H VAL A 44 3.492 8.099 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 44 3.641 6.248 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 44 4.509 8.466 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.510 9.171 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.083 8.850 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.399 7.656 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.828 8.088 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.760 6.440 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.656 6.915 -9.599 1.00 0.00 H new ATOM 660 N SER A 45 4.769 5.034 -5.402 1.00 0.00 N ATOM 661 CA SER A 45 5.356 3.836 -4.808 1.00 0.00 C ATOM 662 C SER A 45 4.641 2.556 -5.258 1.00 0.00 C ATOM 663 O SER A 45 3.416 2.535 -5.410 1.00 0.00 O ATOM 664 CB SER A 45 5.272 3.919 -3.277 1.00 0.00 C ATOM 665 OG SER A 45 5.786 5.139 -2.774 1.00 0.00 O ATOM 0 H SER A 45 4.326 5.652 -4.722 1.00 0.00 H new ATOM 0 HA SER A 45 6.393 3.791 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.233 3.810 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.824 3.087 -2.840 1.00 0.00 H new ATOM 0 HG SER A 45 5.118 5.847 -2.888 1.00 0.00 H new ATOM 671 N SER A 46 5.408 1.473 -5.420 1.00 0.00 N ATOM 672 CA SER A 46 4.872 0.145 -5.703 1.00 0.00 C ATOM 673 C SER A 46 4.039 -0.269 -4.484 1.00 0.00 C ATOM 674 O SER A 46 4.451 -0.010 -3.349 1.00 0.00 O ATOM 675 CB SER A 46 6.045 -0.820 -5.936 1.00 0.00 C ATOM 676 OG SER A 46 5.628 -2.173 -5.988 1.00 0.00 O ATOM 0 H SER A 46 6.426 1.498 -5.357 1.00 0.00 H new ATOM 0 HA SER A 46 4.246 0.132 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.546 -0.561 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.776 -0.698 -5.137 1.00 0.00 H new ATOM 0 HG SER A 46 6.402 -2.759 -5.853 1.00 0.00 H new ATOM 682 N ILE A 47 2.901 -0.940 -4.690 1.00 0.00 N ATOM 683 CA ILE A 47 2.101 -1.463 -3.583 1.00 0.00 C ATOM 684 C ILE A 47 2.884 -2.588 -2.883 1.00 0.00 C ATOM 685 O ILE A 47 2.797 -2.696 -1.659 1.00 0.00 O ATOM 686 CB ILE A 47 0.681 -1.872 -4.052 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.058 -0.649 -4.651 1.00 0.00 C ATOM 688 CG2 ILE A 47 -0.158 -2.435 -2.887 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.503 -0.915 -5.098 1.00 0.00 C ATOM 0 H ILE A 47 2.515 -1.133 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 47 1.930 -0.682 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 47 0.799 -2.648 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.065 0.150 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.510 -0.285 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.147 -2.712 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.336 -3.315 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.256 -1.677 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.933 0.001 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.510 -1.689 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.093 -1.247 -4.244 1.00 0.00 H new ATOM 701 N CYS A 48 3.677 -3.400 -3.602 1.00 0.00 N ATOM 702 CA CYS A 48 4.541 -4.391 -2.954 1.00 0.00 C ATOM 703 C CYS A 48 5.574 -3.661 -2.116 1.00 0.00 C ATOM 704 O CYS A 48 5.690 -3.942 -0.926 1.00 0.00 O ATOM 705 CB CYS A 48 5.282 -5.293 -3.939 1.00 0.00 C ATOM 706 SG CYS A 48 4.302 -6.604 -4.681 1.00 0.00 S ATOM 0 H CYS A 48 3.735 -3.388 -4.620 1.00 0.00 H new ATOM 0 HA CYS A 48 3.893 -5.028 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.689 -4.672 -4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.129 -5.745 -3.423 1.00 0.00 H new ATOM 711 N GLY A 49 6.281 -2.713 -2.740 1.00 0.00 N ATOM 712 CA GLY A 49 7.276 -1.883 -2.090 1.00 0.00 C ATOM 713 C GLY A 49 6.740 -1.331 -0.775 1.00 0.00 C ATOM 714 O GLY A 49 7.299 -1.622 0.277 1.00 0.00 O ATOM 0 H GLY A 49 6.168 -2.504 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.178 -2.466 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.557 -1.061 -2.748 1.00 0.00 H new ATOM 718 N ALA A 50 5.642 -0.575 -0.826 1.00 0.00 N ATOM 719 CA ALA A 50 5.015 0.028 0.342 1.00 0.00 C ATOM 720 C ALA A 50 4.608 -1.023 1.380 1.00 0.00 C ATOM 721 O ALA A 50 4.860 -0.826 2.567 1.00 0.00 O ATOM 722 CB ALA A 50 3.801 0.850 -0.104 1.00 0.00 C ATOM 0 H ALA A 50 5.158 -0.363 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 50 5.742 0.681 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.328 1.303 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.124 1.633 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.086 0.199 -0.607 1.00 0.00 H new ATOM 728 N ALA A 51 3.957 -2.115 0.961 1.00 0.00 N ATOM 729 CA ALA A 51 3.437 -3.131 1.870 1.00 0.00 C ATOM 730 C ALA A 51 4.570 -3.794 2.638 1.00 0.00 C ATOM 731 O ALA A 51 4.543 -3.839 3.869 1.00 0.00 O ATOM 732 CB ALA A 51 2.608 -4.164 1.100 1.00 0.00 C ATOM 0 H ALA A 51 3.778 -2.315 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 51 2.782 -2.647 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.228 -4.915 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.772 -3.666 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.234 -4.647 0.350 1.00 0.00 H new ATOM 738 N VAL A 52 5.555 -4.326 1.922 1.00 0.00 N ATOM 739 CA VAL A 52 6.675 -5.003 2.543 1.00 0.00 C ATOM 740 C VAL A 52 7.495 -3.989 3.356 1.00 0.00 C ATOM 741 O VAL A 52 7.902 -4.321 4.462 1.00 0.00 O ATOM 742 CB VAL A 52 7.480 -5.776 1.482 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.635 -6.526 2.155 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.633 -6.790 0.689 1.00 0.00 C ATOM 0 H VAL A 52 5.595 -4.298 0.903 1.00 0.00 H new ATOM 0 HA VAL A 52 6.334 -5.757 3.253 1.00 0.00 H new ATOM 0 HB VAL A 52 7.848 -5.032 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.203 -7.072 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.289 -5.812 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.236 -7.228 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.263 -7.299 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.207 -7.523 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.829 -6.267 0.172 1.00 0.00 H new ATOM 754 N HIS A 53 7.665 -2.740 2.901 1.00 0.00 N ATOM 755 CA HIS A 53 8.336 -1.683 3.666 1.00 0.00 C ATOM 756 C HIS A 53 7.638 -1.464 5.013 1.00 0.00 C ATOM 757 O HIS A 53 8.278 -1.517 6.062 1.00 0.00 O ATOM 758 CB HIS A 53 8.395 -0.391 2.839 1.00 0.00 C ATOM 759 CG HIS A 53 9.245 0.685 3.453 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.844 1.605 4.424 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.552 0.894 3.136 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.953 2.323 4.687 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.986 1.929 3.924 1.00 0.00 N ATOM 0 H HIS A 53 7.338 -2.434 1.985 1.00 0.00 H new ATOM 0 HA HIS A 53 9.359 -1.992 3.878 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.781 -0.624 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.383 -0.009 2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.134 0.351 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.005 3.115 5.419 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.925 2.328 3.930 1.00 0.00 H new ATOM 771 N ARG A 54 6.312 -1.288 5.008 1.00 0.00 N ATOM 772 CA ARG A 54 5.468 -1.190 6.204 1.00 0.00 C ATOM 773 C ARG A 54 5.589 -2.443 7.091 1.00 0.00 C ATOM 774 O ARG A 54 5.255 -2.377 8.277 1.00 0.00 O ATOM 775 CB ARG A 54 4.017 -0.903 5.760 1.00 0.00 C ATOM 776 CG ARG A 54 3.019 -0.579 6.890 1.00 0.00 C ATOM 777 CD ARG A 54 3.053 0.907 7.275 1.00 0.00 C ATOM 778 NE ARG A 54 2.558 1.152 8.641 1.00 0.00 N ATOM 779 CZ ARG A 54 1.413 1.739 9.015 1.00 0.00 C ATOM 780 NH1 ARG A 54 0.443 1.978 8.145 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.238 2.113 10.278 1.00 0.00 N ATOM 0 H ARG A 54 5.779 -1.207 4.142 1.00 0.00 H new ATOM 0 HA ARG A 54 5.807 -0.365 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.030 -0.066 5.062 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.647 -1.770 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.012 -0.849 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.251 -1.186 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.075 1.276 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.450 1.475 6.567 1.00 0.00 H new ATOM 0 HE ARG A 54 3.164 0.835 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.559 1.714 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.420 2.426 8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.976 1.953 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.366 2.560 10.561 1.00 0.00 H new ATOM 795 N GLY A 55 5.989 -3.588 6.533 1.00 0.00 N ATOM 796 CA GLY A 55 6.162 -4.852 7.237 1.00 0.00 C ATOM 797 C GLY A 55 4.933 -5.748 7.128 1.00 0.00 C ATOM 798 O GLY A 55 4.818 -6.712 7.886 1.00 0.00 O ATOM 0 H GLY A 55 6.209 -3.658 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.028 -5.376 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.373 -4.654 8.288 1.00 0.00 H new ATOM 802 N VAL A 56 3.991 -5.421 6.242 1.00 0.00 N ATOM 803 CA VAL A 56 2.712 -6.105 6.097 1.00 0.00 C ATOM 804 C VAL A 56 2.962 -7.561 5.701 1.00 0.00 C ATOM 805 O VAL A 56 2.498 -8.487 6.358 1.00 0.00 O ATOM 806 CB VAL A 56 1.854 -5.339 5.064 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.547 -6.047 4.717 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.495 -3.934 5.572 1.00 0.00 C ATOM 0 H VAL A 56 4.104 -4.648 5.586 1.00 0.00 H new ATOM 0 HA VAL A 56 2.160 -6.119 7.037 1.00 0.00 H new ATOM 0 HB VAL A 56 2.474 -5.287 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.005 -5.455 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.765 -7.029 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.054 -6.164 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.891 -3.420 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.930 -4.016 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.409 -3.368 5.753 1.00 0.00 H new ATOM 818 N ILE A 57 3.738 -7.777 4.651 1.00 0.00 N ATOM 819 CA ILE A 57 3.996 -9.081 4.062 1.00 0.00 C ATOM 820 C ILE A 57 5.492 -9.187 3.797 1.00 0.00 C ATOM 821 O ILE A 57 6.204 -8.183 3.817 1.00 0.00 O ATOM 822 CB ILE A 57 3.147 -9.271 2.780 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.059 -7.973 1.947 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.736 -9.779 3.131 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.804 -8.229 0.459 1.00 0.00 C ATOM 0 H ILE A 57 4.223 -7.021 4.168 1.00 0.00 H new ATOM 0 HA ILE A 57 3.704 -9.883 4.740 1.00 0.00 H new ATOM 0 HB ILE A 57 3.650 -10.020 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.259 -7.347 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.987 -7.413 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.157 -9.905 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.812 -10.736 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.239 -9.056 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.753 -7.278 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.616 -8.829 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.861 -8.763 0.338 1.00 0.00 H new ATOM 837 N SER A 58 5.946 -10.411 3.581 1.00 0.00 N ATOM 838 CA SER A 58 7.293 -10.791 3.186 1.00 0.00 C ATOM 839 C SER A 58 7.263 -11.213 1.709 1.00 0.00 C ATOM 840 O SER A 58 6.192 -11.170 1.090 1.00 0.00 O ATOM 841 CB SER A 58 7.781 -11.875 4.150 1.00 0.00 C ATOM 842 OG SER A 58 7.737 -11.383 5.480 1.00 0.00 O ATOM 0 H SER A 58 5.339 -11.224 3.685 1.00 0.00 H new ATOM 0 HA SER A 58 8.006 -9.970 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.157 -12.764 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.798 -12.172 3.895 1.00 0.00 H new ATOM 0 HG SER A 58 8.048 -12.078 6.096 1.00 0.00 H new ATOM 848 N ASN A 59 8.416 -11.545 1.104 1.00 0.00 N ATOM 849 CA ASN A 59 8.480 -12.091 -0.262 1.00 0.00 C ATOM 850 C ASN A 59 7.867 -13.498 -0.263 1.00 0.00 C ATOM 851 O ASN A 59 8.554 -14.521 -0.257 1.00 0.00 O ATOM 852 CB ASN A 59 9.942 -12.125 -0.735 1.00 0.00 C ATOM 853 CG ASN A 59 10.194 -12.905 -2.028 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.327 -13.146 -2.864 1.00 0.00 O ATOM 855 ND2 ASN A 59 11.437 -13.295 -2.235 1.00 0.00 N ATOM 0 H ASN A 59 9.329 -11.443 1.548 1.00 0.00 H new ATOM 0 HA ASN A 59 7.916 -11.461 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.285 -11.100 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.553 -12.559 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.678 -13.797 -3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.157 -13.095 -1.541 1.00 0.00 H new ATOM 862 N SER A 60 6.549 -13.525 -0.149 1.00 0.00 N ATOM 863 CA SER A 60 5.599 -14.615 -0.225 1.00 0.00 C ATOM 864 C SER A 60 4.286 -14.080 -0.838 1.00 0.00 C ATOM 865 O SER A 60 3.412 -14.870 -1.194 1.00 0.00 O ATOM 866 CB SER A 60 5.427 -15.213 1.184 1.00 0.00 C ATOM 867 OG SER A 60 4.917 -16.533 1.157 1.00 0.00 O ATOM 0 H SER A 60 6.054 -12.650 0.025 1.00 0.00 H new ATOM 0 HA SER A 60 5.945 -15.421 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.389 -15.210 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.755 -14.580 1.764 1.00 0.00 H new ATOM 0 HG SER A 60 4.828 -16.868 2.074 1.00 0.00 H new ATOM 873 N GLY A 61 4.103 -12.751 -0.938 1.00 0.00 N ATOM 874 CA GLY A 61 2.840 -12.169 -1.370 1.00 0.00 C ATOM 875 C GLY A 61 1.882 -12.187 -0.174 1.00 0.00 C ATOM 876 O GLY A 61 2.309 -12.471 0.949 1.00 0.00 O ATOM 0 H GLY A 61 4.825 -12.064 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.991 -11.149 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.423 -12.736 -2.202 1.00 0.00 H new ATOM 880 N GLY A 62 0.616 -11.819 -0.371 1.00 0.00 N ATOM 881 CA GLY A 62 -0.404 -11.920 0.669 1.00 0.00 C ATOM 882 C GLY A 62 -1.451 -10.806 0.608 1.00 0.00 C ATOM 883 O GLY A 62 -1.413 -9.975 -0.304 1.00 0.00 O ATOM 0 H GLY A 62 0.271 -11.444 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.905 -12.884 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.081 -11.899 1.645 1.00 0.00 H new ATOM 887 N PRO A 63 -2.414 -10.808 1.547 1.00 0.00 N ATOM 888 CA PRO A 63 -3.449 -9.793 1.673 1.00 0.00 C ATOM 889 C PRO A 63 -2.895 -8.522 2.317 1.00 0.00 C ATOM 890 O PRO A 63 -2.072 -8.579 3.235 1.00 0.00 O ATOM 891 CB PRO A 63 -4.531 -10.431 2.548 1.00 0.00 C ATOM 892 CG PRO A 63 -3.776 -11.437 3.414 1.00 0.00 C ATOM 893 CD PRO A 63 -2.583 -11.840 2.555 1.00 0.00 C ATOM 0 HA PRO A 63 -3.842 -9.490 0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.040 -9.685 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.293 -10.921 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.457 -10.992 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.398 -12.297 3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.684 -11.934 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.755 -12.810 2.088 1.00 0.00 H new ATOM 901 N VAL A 64 -3.377 -7.371 1.859 1.00 0.00 N ATOM 902 CA VAL A 64 -2.935 -6.040 2.251 1.00 0.00 C ATOM 903 C VAL A 64 -4.179 -5.131 2.279 1.00 0.00 C ATOM 904 O VAL A 64 -5.205 -5.456 1.674 1.00 0.00 O ATOM 905 CB VAL A 64 -1.867 -5.582 1.224 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.282 -4.207 1.507 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.693 -6.567 1.056 1.00 0.00 C ATOM 0 H VAL A 64 -4.126 -7.342 1.168 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.478 -6.009 3.240 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.440 -5.544 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.544 -3.962 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.079 -3.463 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.804 -4.210 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.009 -6.174 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.185 -6.694 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.072 -7.531 0.716 1.00 0.00 H new ATOM 917 N ARG A 65 -4.094 -3.972 2.933 1.00 0.00 N ATOM 918 CA ARG A 65 -5.139 -2.951 2.975 1.00 0.00 C ATOM 919 C ARG A 65 -4.533 -1.577 2.743 1.00 0.00 C ATOM 920 O ARG A 65 -3.684 -1.137 3.518 1.00 0.00 O ATOM 921 CB ARG A 65 -5.889 -3.034 4.309 1.00 0.00 C ATOM 922 CG ARG A 65 -6.980 -1.955 4.401 1.00 0.00 C ATOM 923 CD ARG A 65 -7.931 -2.229 5.567 1.00 0.00 C ATOM 924 NE ARG A 65 -7.229 -2.166 6.857 1.00 0.00 N ATOM 925 CZ ARG A 65 -7.074 -3.164 7.727 1.00 0.00 C ATOM 926 NH1 ARG A 65 -7.623 -4.343 7.498 1.00 0.00 N ATOM 927 NH2 ARG A 65 -6.381 -2.984 8.846 1.00 0.00 N ATOM 0 H ARG A 65 -3.265 -3.710 3.467 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.861 -3.126 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.340 -4.021 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.185 -2.915 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.517 -0.976 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.543 -1.923 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.742 -1.501 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.385 -3.213 5.445 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.819 -1.268 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.170 -4.495 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.500 -5.102 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.962 -2.076 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.268 -3.754 9.505 1.00 0.00 H new ATOM 941 N VAL A 66 -4.923 -0.922 1.657 1.00 0.00 N ATOM 942 CA VAL A 66 -4.506 0.426 1.285 1.00 0.00 C ATOM 943 C VAL A 66 -5.491 1.446 1.880 1.00 0.00 C ATOM 944 O VAL A 66 -6.708 1.282 1.777 1.00 0.00 O ATOM 945 CB VAL A 66 -4.463 0.536 -0.260 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.861 1.875 -0.717 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.641 -0.592 -0.917 1.00 0.00 C ATOM 0 H VAL A 66 -5.567 -1.333 0.981 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.511 0.636 1.678 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.503 0.456 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.848 1.915 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.465 2.696 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.843 1.964 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.646 -0.463 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.615 -0.554 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.080 -1.557 -0.664 1.00 0.00 H new ATOM 957 N TYR A 67 -4.969 2.538 2.441 1.00 0.00 N ATOM 958 CA TYR A 67 -5.719 3.681 2.944 1.00 0.00 C ATOM 959 C TYR A 67 -5.182 4.926 2.251 1.00 0.00 C ATOM 960 O TYR A 67 -3.988 5.212 2.358 1.00 0.00 O ATOM 961 CB TYR A 67 -5.506 3.863 4.455 1.00 0.00 C ATOM 962 CG TYR A 67 -6.032 2.800 5.395 1.00 0.00 C ATOM 963 CD1 TYR A 67 -7.231 2.114 5.124 1.00 0.00 C ATOM 964 CD2 TYR A 67 -5.361 2.585 6.615 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.790 1.264 6.089 1.00 0.00 C ATOM 966 CE2 TYR A 67 -5.898 1.715 7.575 1.00 0.00 C ATOM 967 CZ TYR A 67 -7.129 1.077 7.321 1.00 0.00 C ATOM 968 OH TYR A 67 -7.718 0.316 8.279 1.00 0.00 O ATOM 0 H TYR A 67 -3.962 2.651 2.561 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.780 3.521 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.434 3.957 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.960 4.812 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.722 2.243 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.428 3.093 6.812 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.722 0.755 5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.373 1.535 8.501 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.140 0.280 9.070 1.00 0.00 H new ATOM 978 N SER A 68 -6.016 5.662 1.517 1.00 0.00 N ATOM 979 CA SER A 68 -5.573 6.933 0.956 1.00 0.00 C ATOM 980 C SER A 68 -5.273 7.889 2.115 1.00 0.00 C ATOM 981 O SER A 68 -5.797 7.728 3.222 1.00 0.00 O ATOM 982 CB SER A 68 -6.634 7.526 0.028 1.00 0.00 C ATOM 983 OG SER A 68 -7.796 7.856 0.762 1.00 0.00 O ATOM 0 H SER A 68 -6.980 5.406 1.302 1.00 0.00 H new ATOM 0 HA SER A 68 -4.675 6.776 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.241 8.416 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.882 6.811 -0.757 1.00 0.00 H new ATOM 0 HG SER A 68 -8.089 7.077 1.279 1.00 0.00 H new ATOM 989 N LEU A 69 -4.478 8.917 1.854 1.00 0.00 N ATOM 990 CA LEU A 69 -4.052 9.908 2.831 1.00 0.00 C ATOM 991 C LEU A 69 -4.201 11.266 2.129 1.00 0.00 C ATOM 992 O LEU A 69 -4.182 11.294 0.892 1.00 0.00 O ATOM 993 CB LEU A 69 -2.610 9.509 3.219 1.00 0.00 C ATOM 994 CG LEU A 69 -2.079 10.039 4.560 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.184 8.973 5.205 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.300 11.354 4.407 1.00 0.00 C ATOM 0 H LEU A 69 -4.099 9.090 0.923 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.625 9.966 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.553 8.421 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.940 9.850 2.430 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.938 10.251 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.804 9.344 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.763 8.065 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.347 8.751 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.947 11.684 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.447 11.197 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.952 12.116 3.981 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.375 12.397 2.836 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.423 13.709 2.193 1.00 0.00 C ATOM 1010 C PRO A 70 -3.100 14.042 1.493 1.00 0.00 C ATOM 1011 O PRO A 70 -2.114 13.303 1.582 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.791 14.707 3.300 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.415 13.993 4.595 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.642 12.520 4.259 1.00 0.00 C ATOM 0 HA PRO A 70 -5.165 13.743 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.244 15.643 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.852 14.954 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.380 14.187 4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.038 14.317 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.978 11.879 4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.662 12.217 4.494 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.084 15.115 0.701 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.860 15.605 0.091 1.00 0.00 C ATOM 1024 C GLY A 71 -0.853 15.879 1.201 1.00 0.00 C ATOM 1025 O GLY A 71 -1.231 16.403 2.252 1.00 0.00 O ATOM 0 H GLY A 71 -3.914 15.660 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.463 14.870 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.056 16.514 -0.478 1.00 0.00 H new ATOM 1029 N ARG A 72 0.414 15.532 0.995 1.00 0.00 N ATOM 1030 CA ARG A 72 1.460 15.777 1.976 1.00 0.00 C ATOM 1031 C ARG A 72 2.722 16.278 1.305 1.00 0.00 C ATOM 1032 O ARG A 72 2.866 16.235 0.086 1.00 0.00 O ATOM 1033 CB ARG A 72 1.680 14.539 2.874 1.00 0.00 C ATOM 1034 CG ARG A 72 0.654 14.458 4.015 1.00 0.00 C ATOM 1035 CD ARG A 72 1.220 13.658 5.201 1.00 0.00 C ATOM 1036 NE ARG A 72 0.841 14.254 6.495 1.00 0.00 N ATOM 1037 CZ ARG A 72 1.626 14.993 7.289 1.00 0.00 C ATOM 1038 NH1 ARG A 72 2.934 15.102 7.068 1.00 0.00 N ATOM 1039 NH2 ARG A 72 1.086 15.618 8.323 1.00 0.00 N ATOM 0 H ARG A 72 0.742 15.074 0.144 1.00 0.00 H new ATOM 0 HA ARG A 72 1.139 16.575 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.617 13.636 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.685 14.571 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.387 15.463 4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.260 13.986 3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.856 12.632 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.307 13.615 5.125 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.112 14.087 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.360 14.616 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.510 15.671 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.086 15.533 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.670 16.185 8.938 1.00 0.00 H new ATOM 1053 N GLU A 73 3.600 16.799 2.144 1.00 0.00 N ATOM 1054 CA GLU A 73 4.942 17.281 1.890 1.00 0.00 C ATOM 1055 C GLU A 73 5.760 16.892 3.126 1.00 0.00 C ATOM 1056 O GLU A 73 5.190 16.345 4.079 1.00 0.00 O ATOM 1057 CB GLU A 73 4.925 18.799 1.637 1.00 0.00 C ATOM 1058 CG GLU A 73 4.427 19.623 2.838 1.00 0.00 C ATOM 1059 CD GLU A 73 4.461 21.133 2.594 1.00 0.00 C ATOM 1060 OE1 GLU A 73 4.654 21.583 1.443 1.00 0.00 O ATOM 1061 OE2 GLU A 73 4.267 21.895 3.573 1.00 0.00 O ATOM 0 H GLU A 73 3.360 16.905 3.130 1.00 0.00 H new ATOM 0 HA GLU A 73 5.384 16.843 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.932 19.126 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.289 19.007 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.406 19.324 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.039 19.389 3.709 1.00 0.00 H new ATOM 1068 N ASN A 74 7.054 17.221 3.162 1.00 0.00 N ATOM 1069 CA ASN A 74 7.921 16.912 4.302 1.00 0.00 C ATOM 1070 C ASN A 74 7.957 15.414 4.583 1.00 0.00 C ATOM 1071 O ASN A 74 7.565 14.928 5.648 1.00 0.00 O ATOM 1072 CB ASN A 74 7.631 17.782 5.537 1.00 0.00 C ATOM 1073 CG ASN A 74 8.303 19.130 5.398 1.00 0.00 C ATOM 1074 OD1 ASN A 74 7.727 20.077 4.872 1.00 0.00 O ATOM 1075 ND2 ASN A 74 9.544 19.251 5.837 1.00 0.00 N ATOM 0 H ASN A 74 7.530 17.708 2.403 1.00 0.00 H new ATOM 0 HA ASN A 74 8.937 17.189 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.555 17.914 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.989 17.280 6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.035 20.140 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.011 18.455 6.272 1.00 0.00 H new ATOM 1082 N TYR A 75 8.334 14.658 3.559 1.00 0.00 N ATOM 1083 CA TYR A 75 8.571 13.225 3.642 1.00 0.00 C ATOM 1084 C TYR A 75 9.983 13.032 4.218 1.00 0.00 C ATOM 1085 O TYR A 75 10.750 13.991 4.317 1.00 0.00 O ATOM 1086 CB TYR A 75 8.492 12.629 2.233 1.00 0.00 C ATOM 1087 CG TYR A 75 7.163 12.791 1.526 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.855 14.002 0.876 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.264 11.712 1.456 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.631 14.151 0.208 1.00 0.00 C ATOM 1091 CE2 TYR A 75 5.048 11.849 0.769 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.714 13.082 0.175 1.00 0.00 C ATOM 1093 OH TYR A 75 3.531 13.248 -0.462 1.00 0.00 O ATOM 0 H TYR A 75 8.487 15.036 2.624 1.00 0.00 H new ATOM 0 HA TYR A 75 7.832 12.732 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.267 13.088 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.723 11.566 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.563 14.817 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.510 10.775 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.392 15.084 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.370 11.011 0.696 1.00 0.00 H new ATOM 0 HH TYR A 75 2.962 12.466 -0.305 1.00 0.00 H new ATOM 1103 N SER A 76 10.361 11.805 4.548 1.00 0.00 N ATOM 1104 CA SER A 76 11.691 11.409 4.985 1.00 0.00 C ATOM 1105 C SER A 76 12.175 10.309 4.030 1.00 0.00 C ATOM 1106 O SER A 76 11.463 9.917 3.099 1.00 0.00 O ATOM 1107 CB SER A 76 11.631 10.900 6.434 1.00 0.00 C ATOM 1108 OG SER A 76 11.103 11.865 7.333 1.00 0.00 O ATOM 0 H SER A 76 9.713 11.018 4.516 1.00 0.00 H new ATOM 0 HA SER A 76 12.383 12.251 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.018 9.999 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.633 10.618 6.757 1.00 0.00 H new ATOM 0 HG SER A 76 11.084 11.492 8.239 1.00 0.00 H new ATOM 1114 N SER A 77 13.390 9.820 4.252 1.00 0.00 N ATOM 1115 CA SER A 77 13.961 8.690 3.540 1.00 0.00 C ATOM 1116 C SER A 77 14.268 7.671 4.630 1.00 0.00 C ATOM 1117 O SER A 77 14.932 8.015 5.618 1.00 0.00 O ATOM 1118 CB SER A 77 15.182 9.129 2.718 1.00 0.00 C ATOM 1119 OG SER A 77 14.874 10.305 1.973 1.00 0.00 O ATOM 0 H SER A 77 14.020 10.212 4.952 1.00 0.00 H new ATOM 0 HA SER A 77 13.293 8.253 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.027 9.319 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.482 8.329 2.041 1.00 0.00 H new ATOM 0 HG SER A 77 15.659 10.578 1.454 1.00 0.00 H new ATOM 1125 N VAL A 78 13.725 6.462 4.503 1.00 0.00 N ATOM 1126 CA VAL A 78 13.810 5.431 5.528 1.00 0.00 C ATOM 1127 C VAL A 78 13.924 4.058 4.867 1.00 0.00 C ATOM 1128 O VAL A 78 13.270 3.780 3.856 1.00 0.00 O ATOM 1129 CB VAL A 78 12.563 5.504 6.452 1.00 0.00 C ATOM 1130 CG1 VAL A 78 12.727 4.675 7.733 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.155 6.929 6.877 1.00 0.00 C ATOM 0 H VAL A 78 13.208 6.170 3.674 1.00 0.00 H new ATOM 0 HA VAL A 78 14.698 5.593 6.139 1.00 0.00 H new ATOM 0 HB VAL A 78 11.775 5.092 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.826 4.763 8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 78 12.888 3.629 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.583 5.044 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.276 6.879 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.976 7.396 7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.924 7.521 5.991 1.00 0.00 H new ATOM 1141 N ASP A 79 14.639 3.161 5.528 1.00 0.00 N ATOM 1142 CA ASP A 79 14.828 1.758 5.201 1.00 0.00 C ATOM 1143 C ASP A 79 13.959 0.914 6.128 1.00 0.00 C ATOM 1144 O ASP A 79 13.847 1.210 7.322 1.00 0.00 O ATOM 1145 CB ASP A 79 16.299 1.405 5.435 1.00 0.00 C ATOM 1146 CG ASP A 79 16.524 -0.101 5.391 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.476 -0.730 4.315 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.771 -0.678 6.474 1.00 0.00 O ATOM 0 H ASP A 79 15.143 3.418 6.377 1.00 0.00 H new ATOM 0 HA ASP A 79 14.553 1.567 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.916 1.889 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.619 1.794 6.402 1.00 0.00 H new ATOM 1153 N ALA A 80 13.307 -0.112 5.585 1.00 0.00 N ATOM 1154 CA ALA A 80 12.537 -1.079 6.350 1.00 0.00 C ATOM 1155 C ALA A 80 12.390 -2.350 5.524 1.00 0.00 C ATOM 1156 O ALA A 80 12.092 -2.276 4.332 1.00 0.00 O ATOM 1157 CB ALA A 80 11.147 -0.521 6.654 1.00 0.00 C ATOM 0 H ALA A 80 13.302 -0.294 4.581 1.00 0.00 H new ATOM 0 HA ALA A 80 13.051 -1.290 7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.578 -1.253 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.242 0.398 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.628 -0.309 5.719 1.00 0.00 H new ATOM 1163 N ASN A 81 12.531 -3.515 6.159 1.00 0.00 N ATOM 1164 CA ASN A 81 12.412 -4.837 5.532 1.00 0.00 C ATOM 1165 C ASN A 81 13.308 -4.952 4.285 1.00 0.00 C ATOM 1166 O ASN A 81 12.958 -5.620 3.311 1.00 0.00 O ATOM 1167 CB ASN A 81 10.934 -5.192 5.257 1.00 0.00 C ATOM 1168 CG ASN A 81 10.085 -5.210 6.524 1.00 0.00 C ATOM 1169 OD1 ASN A 81 10.003 -6.217 7.225 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.489 -4.093 6.912 1.00 0.00 N ATOM 0 H ASN A 81 12.738 -3.568 7.156 1.00 0.00 H new ATOM 0 HA ASN A 81 12.780 -5.584 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.516 -4.470 4.555 1.00 0.00 H new ATOM 0 HB3 ASN A 81 10.883 -6.169 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.966 -4.072 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.553 -3.254 6.335 1.00 0.00 H new ATOM 1177 N GLY A 82 14.469 -4.288 4.294 1.00 0.00 N ATOM 1178 CA GLY A 82 15.430 -4.257 3.195 1.00 0.00 C ATOM 1179 C GLY A 82 14.996 -3.394 2.012 1.00 0.00 C ATOM 1180 O GLY A 82 15.700 -3.360 1.000 1.00 0.00 O ATOM 0 H GLY A 82 14.773 -3.739 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.384 -3.887 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.599 -5.275 2.845 1.00 0.00 H new ATOM 1184 N ILE A 83 13.870 -2.688 2.096 1.00 0.00 N ATOM 1185 CA ILE A 83 13.365 -1.826 1.038 1.00 0.00 C ATOM 1186 C ILE A 83 13.658 -0.394 1.467 1.00 0.00 C ATOM 1187 O ILE A 83 13.540 -0.046 2.644 1.00 0.00 O ATOM 1188 CB ILE A 83 11.870 -2.116 0.781 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.701 -3.579 0.310 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.288 -1.161 -0.279 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.240 -4.011 0.243 1.00 0.00 C ATOM 0 H ILE A 83 13.272 -2.702 2.922 1.00 0.00 H new ATOM 0 HA ILE A 83 13.852 -2.008 0.080 1.00 0.00 H new ATOM 0 HB ILE A 83 11.327 -1.960 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.155 -3.694 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.240 -4.240 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.234 -1.391 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.387 -0.132 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.831 -1.284 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.182 -5.046 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.789 -3.925 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.703 -3.371 -0.457 1.00 0.00 H new ATOM 1203 N GLN A 84 14.022 0.441 0.499 1.00 0.00 N ATOM 1204 CA GLN A 84 14.392 1.821 0.726 1.00 0.00 C ATOM 1205 C GLN A 84 13.238 2.708 0.282 1.00 0.00 C ATOM 1206 O GLN A 84 12.603 2.430 -0.740 1.00 0.00 O ATOM 1207 CB GLN A 84 15.667 2.098 -0.080 1.00 0.00 C ATOM 1208 CG GLN A 84 16.290 3.462 0.227 1.00 0.00 C ATOM 1209 CD GLN A 84 16.620 3.647 1.703 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.076 4.525 2.364 1.00 0.00 O ATOM 1211 NE2 GLN A 84 17.506 2.833 2.242 1.00 0.00 N ATOM 0 H GLN A 84 14.067 0.165 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 84 14.589 2.027 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.398 1.317 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.436 2.042 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.200 3.580 -0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.603 4.248 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.946 2.110 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.751 2.927 3.228 1.00 0.00 H new ATOM 1220 N SER A 85 12.988 3.783 1.024 1.00 0.00 N ATOM 1221 CA SER A 85 12.011 4.798 0.683 1.00 0.00 C ATOM 1222 C SER A 85 12.704 6.154 0.728 1.00 0.00 C ATOM 1223 O SER A 85 13.583 6.346 1.566 1.00 0.00 O ATOM 1224 CB SER A 85 10.793 4.705 1.613 1.00 0.00 C ATOM 1225 OG SER A 85 11.101 5.050 2.948 1.00 0.00 O ATOM 0 H SER A 85 13.475 3.972 1.900 1.00 0.00 H new ATOM 0 HA SER A 85 11.623 4.648 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.007 5.364 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.397 3.690 1.586 1.00 0.00 H new ATOM 0 HG SER A 85 11.687 4.367 3.336 1.00 0.00 H new ATOM 1231 N GLN A 86 12.324 7.093 -0.142 1.00 0.00 N ATOM 1232 CA GLN A 86 12.936 8.420 -0.186 1.00 0.00 C ATOM 1233 C GLN A 86 11.926 9.546 -0.325 1.00 0.00 C ATOM 1234 O GLN A 86 10.902 9.378 -0.989 1.00 0.00 O ATOM 1235 CB GLN A 86 14.004 8.505 -1.279 1.00 0.00 C ATOM 1236 CG GLN A 86 13.688 7.780 -2.597 1.00 0.00 C ATOM 1237 CD GLN A 86 14.423 6.447 -2.664 1.00 0.00 C ATOM 1238 OE1 GLN A 86 15.652 6.431 -2.642 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.724 5.327 -2.724 1.00 0.00 N ATOM 0 H GLN A 86 11.586 6.954 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 86 13.417 8.558 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.183 9.557 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.934 8.101 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.614 7.614 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.979 8.405 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.705 5.362 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.204 4.427 -2.753 1.00 0.00 H new ATOM 1248 N MET A 87 12.248 10.694 0.273 1.00 0.00 N ATOM 1249 CA MET A 87 11.404 11.880 0.296 1.00 0.00 C ATOM 1250 C MET A 87 11.057 12.383 -1.111 1.00 0.00 C ATOM 1251 O MET A 87 11.745 12.058 -2.080 1.00 0.00 O ATOM 1252 CB MET A 87 12.045 12.963 1.189 1.00 0.00 C ATOM 1253 CG MET A 87 13.461 13.422 0.805 1.00 0.00 C ATOM 1254 SD MET A 87 13.646 14.379 -0.727 1.00 0.00 S ATOM 1255 CE MET A 87 12.720 15.884 -0.315 1.00 0.00 C ATOM 0 H MET A 87 13.130 10.824 0.768 1.00 0.00 H new ATOM 0 HA MET A 87 10.445 11.612 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.392 13.836 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.074 12.588 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.854 14.022 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.092 12.537 0.727 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.890 16.638 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.656 15.654 -0.262 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.057 16.266 0.649 1.00 0.00 H new ATOM 1265 N LEU A 88 9.990 13.180 -1.226 1.00 0.00 N ATOM 1266 CA LEU A 88 9.477 13.742 -2.476 1.00 0.00 C ATOM 1267 C LEU A 88 9.197 15.223 -2.277 1.00 0.00 C ATOM 1268 O LEU A 88 9.245 15.721 -1.149 1.00 0.00 O ATOM 1269 CB LEU A 88 8.153 13.134 -2.938 1.00 0.00 C ATOM 1270 CG LEU A 88 8.067 11.610 -2.928 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.508 11.139 -1.591 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.111 11.217 -4.045 1.00 0.00 C ATOM 0 H LEU A 88 9.438 13.462 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 88 10.243 13.532 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.357 13.525 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.953 13.481 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 88 9.049 11.159 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.447 10.051 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.164 11.470 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.513 11.559 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.016 10.132 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.133 11.661 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.498 11.576 -4.998 1.00 0.00 H new ATOM 1284 N SER A 89 8.756 15.882 -3.345 1.00 0.00 N ATOM 1285 CA SER A 89 8.323 17.260 -3.343 1.00 0.00 C ATOM 1286 C SER A 89 6.793 17.409 -3.408 1.00 0.00 C ATOM 1287 O SER A 89 6.197 17.513 -4.484 1.00 0.00 O ATOM 1288 CB SER A 89 9.080 18.030 -4.434 1.00 0.00 C ATOM 1289 OG SER A 89 9.065 17.376 -5.695 1.00 0.00 O ATOM 0 H SER A 89 8.691 15.447 -4.265 1.00 0.00 H new ATOM 0 HA SER A 89 8.579 17.712 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.640 19.022 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.114 18.172 -4.118 1.00 0.00 H new ATOM 0 HG SER A 89 9.560 17.913 -6.348 1.00 0.00 H new ATOM 1295 N ARG A 90 6.133 17.372 -2.242 1.00 0.00 N ATOM 1296 CA ARG A 90 4.697 17.650 -2.120 1.00 0.00 C ATOM 1297 C ARG A 90 3.779 16.745 -2.950 1.00 0.00 C ATOM 1298 O ARG A 90 3.135 17.234 -3.880 1.00 0.00 O ATOM 1299 CB ARG A 90 4.462 19.161 -2.335 1.00 0.00 C ATOM 1300 CG ARG A 90 3.037 19.662 -2.003 1.00 0.00 C ATOM 1301 CD ARG A 90 2.472 20.585 -3.095 1.00 0.00 C ATOM 1302 NE ARG A 90 2.409 19.889 -4.389 1.00 0.00 N ATOM 1303 CZ ARG A 90 1.887 20.307 -5.543 1.00 0.00 C ATOM 1304 NH1 ARG A 90 1.259 21.474 -5.643 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.003 19.533 -6.611 1.00 0.00 N ATOM 0 H ARG A 90 6.583 17.148 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 90 4.395 17.386 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.175 19.713 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.681 19.402 -3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.374 18.806 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.054 20.196 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.476 20.924 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.097 21.473 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 90 2.822 18.957 -4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.167 22.075 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.869 21.768 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.484 18.636 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.611 19.833 -7.504 1.00 0.00 H new ATOM 1319 N TRP A 91 3.748 15.433 -2.713 1.00 0.00 N ATOM 1320 CA TRP A 91 2.952 14.555 -3.562 1.00 0.00 C ATOM 1321 C TRP A 91 1.514 14.603 -3.058 1.00 0.00 C ATOM 1322 O TRP A 91 1.124 13.992 -2.053 1.00 0.00 O ATOM 1323 CB TRP A 91 3.483 13.115 -3.586 1.00 0.00 C ATOM 1324 CG TRP A 91 3.592 12.541 -4.961 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.719 11.720 -5.589 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.661 12.771 -5.911 1.00 0.00 C ATOM 1327 NE1 TRP A 91 3.216 11.369 -6.828 1.00 0.00 N ATOM 1328 CE2 TRP A 91 4.429 11.975 -7.067 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.815 13.573 -5.890 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 5.320 11.957 -8.147 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.740 13.525 -6.942 1.00 0.00 C ATOM 1332 CH2 TRP A 91 6.491 12.733 -8.076 1.00 0.00 C ATOM 0 H TRP A 91 4.252 14.966 -1.959 1.00 0.00 H new ATOM 0 HA TRP A 91 3.011 14.905 -4.593 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.464 13.090 -3.112 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.825 12.484 -2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.775 11.389 -5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 91 2.746 10.742 -7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.991 14.234 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 5.111 11.357 -9.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.651 14.101 -6.881 1.00 0.00 H new ATOM 0 HH2 TRP A 91 7.198 12.720 -8.892 1.00 0.00 H new ATOM 1343 N SER A 92 0.686 15.323 -3.807 1.00 0.00 N ATOM 1344 CA SER A 92 -0.722 15.541 -3.507 1.00 0.00 C ATOM 1345 C SER A 92 -1.565 14.312 -3.901 1.00 0.00 C ATOM 1346 O SER A 92 -2.711 14.430 -4.333 1.00 0.00 O ATOM 1347 CB SER A 92 -1.160 16.803 -4.251 1.00 0.00 C ATOM 1348 OG SER A 92 -0.238 17.861 -4.060 1.00 0.00 O ATOM 0 H SER A 92 0.987 15.785 -4.666 1.00 0.00 H new ATOM 0 HA SER A 92 -0.873 15.678 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.252 16.586 -5.315 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.146 17.110 -3.901 1.00 0.00 H new ATOM 0 HG SER A 92 -0.544 18.654 -4.549 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.977 13.126 -3.763 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.530 11.805 -3.931 1.00 0.00 C ATOM 1356 C ALA A 93 -0.629 10.937 -3.057 1.00 0.00 C ATOM 1357 O ALA A 93 0.502 10.631 -3.435 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.500 11.385 -5.404 1.00 0.00 C ATOM 0 H ALA A 93 0.008 13.074 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.579 11.728 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.922 10.385 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.086 12.089 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.470 11.382 -5.761 1.00 0.00 H new ATOM 1364 N SER A 94 -1.055 10.627 -1.842 1.00 0.00 N ATOM 1365 CA SER A 94 -0.319 9.770 -0.928 1.00 0.00 C ATOM 1366 C SER A 94 -1.287 8.788 -0.279 1.00 0.00 C ATOM 1367 O SER A 94 -2.507 8.974 -0.326 1.00 0.00 O ATOM 1368 CB SER A 94 0.422 10.622 0.106 1.00 0.00 C ATOM 1369 OG SER A 94 1.391 11.471 -0.494 1.00 0.00 O ATOM 0 H SER A 94 -1.936 10.970 -1.458 1.00 0.00 H new ATOM 0 HA SER A 94 0.434 9.196 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.297 11.227 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.911 9.969 0.829 1.00 0.00 H new ATOM 0 HG SER A 94 0.943 12.239 -0.906 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.741 7.740 0.326 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.484 6.691 0.991 1.00 0.00 C ATOM 1377 C PHE A 95 -0.620 6.089 2.090 1.00 0.00 C ATOM 1378 O PHE A 95 0.548 6.440 2.234 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.870 5.618 -0.057 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.730 4.774 -0.620 1.00 0.00 C ATOM 1381 CD1 PHE A 95 0.027 5.232 -1.716 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.452 3.503 -0.076 1.00 0.00 C ATOM 1383 CE1 PHE A 95 1.053 4.433 -2.257 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.560 2.697 -0.631 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.310 3.158 -1.726 1.00 0.00 C ATOM 0 H PHE A 95 0.268 7.598 0.365 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.393 7.088 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.600 4.947 0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.368 6.117 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.181 6.202 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.019 3.146 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.644 4.802 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.760 1.721 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.080 2.535 -2.157 1.00 0.00 H new ATOM 1395 N THR A 96 -1.202 5.215 2.894 1.00 0.00 N ATOM 1396 CA THR A 96 -0.513 4.435 3.895 1.00 0.00 C ATOM 1397 C THR A 96 -1.138 3.052 3.757 1.00 0.00 C ATOM 1398 O THR A 96 -2.330 2.919 3.470 1.00 0.00 O ATOM 1399 CB THR A 96 -0.536 5.049 5.307 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.462 4.401 6.060 1.00 0.00 O ATOM 1401 CG2 THR A 96 -1.884 4.964 6.023 1.00 0.00 C ATOM 0 H THR A 96 -2.204 5.026 2.862 1.00 0.00 H new ATOM 0 HA THR A 96 0.565 4.398 3.736 1.00 0.00 H new ATOM 0 HB THR A 96 -0.351 6.118 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.346 4.673 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.802 5.422 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.639 5.491 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.173 3.919 6.131 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.316 2.015 3.800 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.779 0.648 3.658 1.00 0.00 C ATOM 1411 C VAL A 97 -0.724 -0.036 5.024 1.00 0.00 C ATOM 1412 O VAL A 97 0.026 0.413 5.892 1.00 0.00 O ATOM 1413 CB VAL A 97 0.003 0.017 2.502 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.441 -0.348 2.854 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.707 -1.206 1.956 1.00 0.00 C ATOM 0 H VAL A 97 0.691 2.100 3.935 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.826 0.547 3.372 1.00 0.00 H new ATOM 0 HB VAL A 97 0.047 0.792 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.928 -0.789 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.981 0.550 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.444 -1.066 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.125 -1.629 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.813 -1.948 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.694 -0.921 1.591 1.00 0.00 H new ATOM 1425 N THR A 98 -1.495 -1.102 5.213 1.00 0.00 N ATOM 1426 CA THR A 98 -1.660 -1.840 6.457 1.00 0.00 C ATOM 1427 C THR A 98 -1.951 -3.318 6.152 1.00 0.00 C ATOM 1428 O THR A 98 -2.098 -3.705 4.986 1.00 0.00 O ATOM 1429 CB THR A 98 -2.816 -1.216 7.280 1.00 0.00 C ATOM 1430 OG1 THR A 98 -3.956 -0.901 6.495 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.400 0.070 7.997 1.00 0.00 C ATOM 0 H THR A 98 -2.054 -1.496 4.456 1.00 0.00 H new ATOM 0 HA THR A 98 -0.741 -1.782 7.041 1.00 0.00 H new ATOM 0 HB THR A 98 -3.068 -1.992 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.422 -0.134 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.247 0.464 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.580 -0.144 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.076 0.808 7.263 1.00 0.00 H new ATOM 1439 N LEU A 99 -1.976 -4.136 7.206 1.00 0.00 N ATOM 1440 CA LEU A 99 -2.370 -5.544 7.184 1.00 0.00 C ATOM 1441 C LEU A 99 -3.889 -5.604 7.031 1.00 0.00 C ATOM 1442 O LEU A 99 -4.558 -4.585 7.186 1.00 0.00 O ATOM 1443 CB LEU A 99 -1.933 -6.216 8.494 1.00 0.00 C ATOM 1444 CG LEU A 99 -0.445 -6.608 8.479 1.00 0.00 C ATOM 1445 CD1 LEU A 99 0.155 -6.622 9.884 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.254 -7.993 7.852 1.00 0.00 C ATOM 0 H LEU A 99 -1.710 -3.820 8.139 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.895 -6.069 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.120 -5.539 9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.539 -7.106 8.664 1.00 0.00 H new ATOM 0 HG LEU A 99 0.070 -5.854 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.206 -6.904 9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.068 -5.630 10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.381 -7.343 10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.805 -8.249 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.807 -8.734 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.625 -7.983 6.827 1.00 0.00 H new ATOM 1458 N GLU A 100 -4.439 -6.783 6.747 1.00 0.00 N ATOM 1459 CA GLU A 100 -5.877 -6.990 6.630 1.00 0.00 C ATOM 1460 C GLU A 100 -6.403 -7.487 7.968 1.00 0.00 C ATOM 1461 O GLU A 100 -6.968 -6.686 8.741 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.221 -7.890 5.432 1.00 0.00 C ATOM 1463 CG GLU A 100 -7.696 -8.333 5.345 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.786 -7.250 5.188 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -8.631 -6.079 5.603 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -9.882 -7.628 4.707 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.181 -8.662 8.315 1.00 0.00 O ATOM 0 H GLU A 100 -3.891 -7.629 6.590 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.385 -6.051 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -5.963 -7.361 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.593 -8.780 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.786 -9.018 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.924 -8.904 6.245 1.00 0.00 H new TER 1474 GLU A 100