USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 62 LYS NZ :NH3+ -135:sc= -1.06 (180deg=-2.19!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 LYS NZ :NH3+ -115:sc= -0.13 (180deg=-0.98) USER MOD Set 2.2: A 24 GLN : amide:sc= -1.86! X(o=-2!,f=-1.7) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 3.2: A 15 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.54) USER MOD Single : A 1 LEU N :NH3+ 169:sc= -0.0816 (180deg=-0.243) USER MOD Single : A 3 SER OG : rot 113:sc= -0.251 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.836 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0.173 (180deg=0.0467) USER MOD Single : A 10 LYS NZ :NH3+ -139:sc= -0.259 (180deg=-1.17) USER MOD Single : A 13 SER OG : rot -83:sc= 0.348 USER MOD Single : A 17 SER OG : rot 54:sc= 1.07 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.21) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.55 X(o=-3.5,f=-3.4) USER MOD Single : A 30 THR OG1 : rot 19:sc= 0.969 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0.418 (180deg=-0.0444) USER MOD Single : A 52 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.6) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 64 ASN : amide:sc= -6.79! C(o=-6.8!,f=-9.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 67 GLN : amide:sc= 0.194 X(o=0.19,f=-0.017) USER MOD Single : A 72 TYR OH : rot 180:sc=-0.00322 USER MOD Single : A 76 ASN : amide:sc= 1.18 K(o=1.2,f=-0.028) USER MOD Single : A 77 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.15) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0151 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.704 5.224 -4.001 1.00 0.00 N ATOM 2 CA LEU A 1 -3.257 6.498 -4.553 1.00 0.00 C ATOM 3 C LEU A 1 -1.921 6.915 -3.947 1.00 0.00 C ATOM 4 O LEU A 1 -0.890 6.902 -4.621 1.00 0.00 O ATOM 5 CB LEU A 1 -4.306 7.582 -4.299 1.00 0.00 C ATOM 6 CG LEU A 1 -5.145 8.000 -5.507 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.574 8.304 -5.085 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.523 9.205 -6.197 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.690 5.051 -4.282 1.00 0.00 H new ATOM 0 H2 LEU A 1 -3.101 4.458 -4.364 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.639 5.253 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 1 -3.124 6.374 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.980 7.231 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -3.800 8.466 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.166 7.172 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.156 8.600 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -7.018 7.415 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.574 9.115 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -5.133 9.489 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.471 10.039 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -3.518 8.952 -6.535 1.00 0.00 H new ATOM 20 N LYS A 2 -1.945 7.283 -2.671 1.00 0.00 N ATOM 21 CA LYS A 2 -0.736 7.701 -1.971 1.00 0.00 C ATOM 22 C LYS A 2 -0.092 6.523 -1.246 1.00 0.00 C ATOM 23 O LYS A 2 0.959 6.029 -1.655 1.00 0.00 O ATOM 24 CB LYS A 2 -1.059 8.814 -0.972 1.00 0.00 C ATOM 25 CG LYS A 2 -1.503 10.110 -1.628 1.00 0.00 C ATOM 26 CD LYS A 2 -3.009 10.293 -1.537 1.00 0.00 C ATOM 27 CE LYS A 2 -3.443 11.635 -2.106 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.901 11.666 -2.404 1.00 0.00 N ATOM 0 H LYS A 2 -2.790 7.300 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.030 8.079 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.844 8.470 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.178 9.009 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.004 10.952 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.198 10.113 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.508 9.489 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.323 10.219 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.201 12.426 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.882 11.842 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.044 11.767 -3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.341 10.781 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.339 12.471 -1.912 1.00 0.00 H new ATOM 42 N SER A 3 -0.730 6.077 -0.169 1.00 0.00 N ATOM 43 CA SER A 3 -0.219 4.958 0.614 1.00 0.00 C ATOM 44 C SER A 3 -1.211 4.556 1.700 1.00 0.00 C ATOM 45 O SER A 3 -1.867 3.517 1.606 1.00 0.00 O ATOM 46 CB SER A 3 1.126 5.323 1.246 1.00 0.00 C ATOM 47 OG SER A 3 1.053 6.571 1.915 1.00 0.00 O ATOM 0 H SER A 3 -1.602 6.473 0.182 1.00 0.00 H new ATOM 0 HA SER A 3 -0.080 4.111 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.423 4.546 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.895 5.365 0.474 1.00 0.00 H new ATOM 0 HG SER A 3 1.153 6.431 2.880 1.00 0.00 H new ATOM 53 N THR A 4 -1.318 5.387 2.733 1.00 0.00 N ATOM 54 CA THR A 4 -2.229 5.119 3.838 1.00 0.00 C ATOM 55 C THR A 4 -3.651 4.897 3.337 1.00 0.00 C ATOM 56 O THR A 4 -4.448 4.214 3.981 1.00 0.00 O ATOM 57 CB THR A 4 -2.230 6.274 4.858 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.886 5.863 6.062 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.927 7.499 4.286 1.00 0.00 C ATOM 0 H THR A 4 -0.784 6.251 2.827 1.00 0.00 H new ATOM 0 HA THR A 4 -1.874 4.212 4.327 1.00 0.00 H new ATOM 0 HB THR A 4 -1.195 6.535 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.881 6.602 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.916 8.302 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.407 7.826 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.958 7.248 4.038 1.00 0.00 H new ATOM 67 N PHE A 5 -3.965 5.478 2.184 1.00 0.00 N ATOM 68 CA PHE A 5 -5.293 5.344 1.596 1.00 0.00 C ATOM 69 C PHE A 5 -5.717 3.879 1.541 1.00 0.00 C ATOM 70 O PHE A 5 -6.898 3.558 1.680 1.00 0.00 O ATOM 71 CB PHE A 5 -5.315 5.947 0.190 1.00 0.00 C ATOM 72 CG PHE A 5 -6.574 5.646 -0.571 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.811 5.733 0.047 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.520 5.276 -1.906 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.971 5.456 -0.652 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.677 4.998 -2.609 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.904 5.089 -1.982 1.00 0.00 C ATOM 0 H PHE A 5 -3.318 6.046 1.638 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.999 5.885 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.195 7.028 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.461 5.569 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.870 6.020 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.563 5.204 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.929 5.526 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.622 4.710 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.809 4.874 -2.530 1.00 0.00 H new ATOM 87 N ASP A 6 -4.747 2.996 1.336 1.00 0.00 N ATOM 88 CA ASP A 6 -5.018 1.565 1.262 1.00 0.00 C ATOM 89 C ASP A 6 -5.703 1.075 2.534 1.00 0.00 C ATOM 90 O ASP A 6 -6.845 0.616 2.499 1.00 0.00 O ATOM 91 CB ASP A 6 -3.720 0.789 1.035 1.00 0.00 C ATOM 92 CG ASP A 6 -3.617 0.231 -0.371 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.530 1.035 -1.323 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.624 -1.009 -0.520 1.00 0.00 O ATOM 0 H ASP A 6 -3.765 3.246 1.218 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.688 1.390 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.870 1.444 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.659 -0.029 1.753 1.00 0.00 H new ATOM 99 N ASP A 7 -4.997 1.175 3.655 1.00 0.00 N ATOM 100 CA ASP A 7 -5.536 0.743 4.939 1.00 0.00 C ATOM 101 C ASP A 7 -6.719 1.612 5.353 1.00 0.00 C ATOM 102 O ASP A 7 -7.624 1.155 6.052 1.00 0.00 O ATOM 103 CB ASP A 7 -4.451 0.792 6.015 1.00 0.00 C ATOM 104 CG ASP A 7 -3.403 -0.289 5.831 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.237 -0.766 4.688 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.749 -0.657 6.829 1.00 0.00 O ATOM 0 H ASP A 7 -4.050 1.551 3.700 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.883 -0.284 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.968 1.769 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.912 0.684 6.997 1.00 0.00 H new ATOM 111 N ILE A 8 -6.705 2.868 4.917 1.00 0.00 N ATOM 112 CA ILE A 8 -7.776 3.801 5.242 1.00 0.00 C ATOM 113 C ILE A 8 -9.070 3.422 4.530 1.00 0.00 C ATOM 114 O ILE A 8 -10.161 3.559 5.084 1.00 0.00 O ATOM 115 CB ILE A 8 -7.399 5.245 4.864 1.00 0.00 C ATOM 116 CG1 ILE A 8 -7.169 6.082 6.124 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.485 5.867 3.999 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.709 6.242 6.485 1.00 0.00 C ATOM 0 H ILE A 8 -5.964 3.262 4.338 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.927 3.744 6.320 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.472 5.224 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.610 7.069 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.693 5.618 6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.204 6.888 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.604 5.281 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.426 5.878 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.622 6.846 7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.268 5.261 6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.184 6.734 5.667 1.00 0.00 H new ATOM 130 N LYS A 9 -8.942 2.944 3.297 1.00 0.00 N ATOM 131 CA LYS A 9 -10.100 2.541 2.507 1.00 0.00 C ATOM 132 C LYS A 9 -10.597 1.164 2.934 1.00 0.00 C ATOM 133 O LYS A 9 -11.751 0.807 2.693 1.00 0.00 O ATOM 134 CB LYS A 9 -9.748 2.530 1.018 1.00 0.00 C ATOM 135 CG LYS A 9 -9.265 1.180 0.518 1.00 0.00 C ATOM 136 CD LYS A 9 -8.283 1.330 -0.632 1.00 0.00 C ATOM 137 CE LYS A 9 -8.867 0.811 -1.936 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.303 1.519 -3.119 1.00 0.00 N ATOM 0 H LYS A 9 -8.047 2.826 2.822 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.897 3.264 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.625 2.828 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.975 3.275 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.790 0.637 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.118 0.585 0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.012 2.380 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.366 0.788 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.668 -0.257 -2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.950 0.933 -1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.978 1.468 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.128 2.515 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.408 1.069 -3.399 1.00 0.00 H new ATOM 152 N LYS A 10 -9.721 0.394 3.570 1.00 0.00 N ATOM 153 CA LYS A 10 -10.071 -0.943 4.033 1.00 0.00 C ATOM 154 C LYS A 10 -10.814 -0.881 5.363 1.00 0.00 C ATOM 155 O LYS A 10 -11.666 -1.723 5.649 1.00 0.00 O ATOM 156 CB LYS A 10 -8.811 -1.800 4.180 1.00 0.00 C ATOM 157 CG LYS A 10 -8.360 -1.978 5.619 1.00 0.00 C ATOM 158 CD LYS A 10 -6.985 -2.619 5.698 1.00 0.00 C ATOM 159 CE LYS A 10 -7.065 -4.130 5.540 1.00 0.00 C ATOM 160 NZ LYS A 10 -7.633 -4.785 6.751 1.00 0.00 N ATOM 0 H LYS A 10 -8.762 0.674 3.777 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.728 -1.397 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.996 -2.781 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.003 -1.343 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.340 -1.009 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.082 -2.596 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.344 -2.204 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.523 -2.376 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.680 -4.372 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.069 -4.528 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.103 -5.656 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.561 -4.138 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.632 -5.020 6.582 1.00 0.00 H new ATOM 174 N ILE A 11 -10.487 0.121 6.172 1.00 0.00 N ATOM 175 CA ILE A 11 -11.126 0.294 7.471 1.00 0.00 C ATOM 176 C ILE A 11 -12.501 0.935 7.326 1.00 0.00 C ATOM 177 O ILE A 11 -13.450 0.555 8.012 1.00 0.00 O ATOM 178 CB ILE A 11 -10.265 1.158 8.412 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.932 2.495 7.748 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.992 0.418 8.794 1.00 0.00 C ATOM 181 CD1 ILE A 11 -9.049 3.386 8.594 1.00 0.00 C ATOM 0 H ILE A 11 -9.783 0.825 5.951 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.235 -0.700 7.904 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.833 1.356 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.437 2.305 6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.860 3.022 7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.394 1.041 9.459 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.250 -0.511 9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.418 0.193 7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.854 4.316 8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.551 3.606 9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.106 2.878 8.795 1.00 0.00 H new ATOM 193 N ILE A 12 -12.602 1.909 6.428 1.00 0.00 N ATOM 194 CA ILE A 12 -13.863 2.602 6.191 1.00 0.00 C ATOM 195 C ILE A 12 -14.830 1.727 5.401 1.00 0.00 C ATOM 196 O ILE A 12 -16.044 1.794 5.596 1.00 0.00 O ATOM 197 CB ILE A 12 -13.645 3.923 5.429 1.00 0.00 C ATOM 198 CG1 ILE A 12 -13.067 3.646 4.040 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.725 4.843 6.218 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.775 4.901 3.246 1.00 0.00 C ATOM 0 H ILE A 12 -11.826 2.236 5.852 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.291 2.822 7.169 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.608 4.420 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.147 3.071 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.768 3.027 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.580 5.772 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.173 5.062 7.187 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.762 4.355 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.368 4.629 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.696 5.467 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.051 5.512 3.785 1.00 0.00 H new ATOM 212 N SER A 13 -14.284 0.904 4.511 1.00 0.00 N ATOM 213 CA SER A 13 -15.099 0.016 3.690 1.00 0.00 C ATOM 214 C SER A 13 -15.598 -1.172 4.506 1.00 0.00 C ATOM 215 O SER A 13 -16.721 -1.641 4.320 1.00 0.00 O ATOM 216 CB SER A 13 -14.297 -0.479 2.485 1.00 0.00 C ATOM 217 OG SER A 13 -13.230 -1.318 2.893 1.00 0.00 O ATOM 0 H SER A 13 -13.281 0.834 4.340 1.00 0.00 H new ATOM 0 HA SER A 13 -15.962 0.580 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.953 -1.024 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.903 0.373 1.932 1.00 0.00 H new ATOM 0 HG SER A 13 -12.467 -0.767 3.166 1.00 0.00 H new ATOM 223 N LYS A 14 -14.755 -1.656 5.412 1.00 0.00 N ATOM 224 CA LYS A 14 -15.108 -2.789 6.259 1.00 0.00 C ATOM 225 C LYS A 14 -16.000 -2.347 7.415 1.00 0.00 C ATOM 226 O LYS A 14 -16.763 -3.143 7.960 1.00 0.00 O ATOM 227 CB LYS A 14 -13.844 -3.458 6.803 1.00 0.00 C ATOM 228 CG LYS A 14 -14.121 -4.513 7.860 1.00 0.00 C ATOM 229 CD LYS A 14 -13.895 -3.971 9.262 1.00 0.00 C ATOM 230 CE LYS A 14 -12.596 -4.492 9.857 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.640 -4.518 11.346 1.00 0.00 N ATOM 0 H LYS A 14 -13.821 -1.281 5.579 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.659 -3.507 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.302 -3.917 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.192 -2.694 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.149 -4.863 7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.475 -5.375 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.872 -2.882 9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.730 -4.255 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.402 -5.497 9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.768 -3.863 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.902 -5.157 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.477 -3.559 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.572 -4.856 11.660 1.00 0.00 H new ATOM 245 N GLN A 15 -15.898 -1.073 7.781 1.00 0.00 N ATOM 246 CA GLN A 15 -16.697 -0.526 8.871 1.00 0.00 C ATOM 247 C GLN A 15 -18.026 0.014 8.355 1.00 0.00 C ATOM 248 O GLN A 15 -19.085 -0.268 8.919 1.00 0.00 O ATOM 249 CB GLN A 15 -15.927 0.582 9.590 1.00 0.00 C ATOM 250 CG GLN A 15 -14.849 0.065 10.529 1.00 0.00 C ATOM 251 CD GLN A 15 -15.400 -0.864 11.593 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.496 -0.652 12.112 1.00 0.00 O ATOM 253 NE2 GLN A 15 -14.640 -1.901 11.926 1.00 0.00 N ATOM 0 H GLN A 15 -15.271 -0.401 7.339 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.903 -1.332 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.468 1.234 8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.630 1.191 10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.090 -0.461 9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.355 0.910 11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.738 -2.039 11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.958 -2.559 12.637 1.00 0.00 H new ATOM 262 N LEU A 16 -17.965 0.792 7.280 1.00 0.00 N ATOM 263 CA LEU A 16 -19.164 1.374 6.687 1.00 0.00 C ATOM 264 C LEU A 16 -19.542 0.647 5.400 1.00 0.00 C ATOM 265 O LEU A 16 -20.481 -0.149 5.377 1.00 0.00 O ATOM 266 CB LEU A 16 -18.947 2.861 6.401 1.00 0.00 C ATOM 267 CG LEU A 16 -18.754 3.758 7.625 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.313 3.703 8.105 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.159 5.189 7.305 1.00 0.00 C ATOM 0 H LEU A 16 -17.098 1.034 6.801 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.982 1.264 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.072 2.963 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.803 3.231 5.836 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.395 3.391 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.195 4.347 8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.058 2.678 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.651 4.044 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -19.015 5.814 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.544 5.567 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.208 5.213 7.010 1.00 0.00 H new ATOM 281 N SER A 17 -18.803 0.926 4.330 1.00 0.00 N ATOM 282 CA SER A 17 -19.062 0.300 3.039 1.00 0.00 C ATOM 283 C SER A 17 -18.046 0.762 1.998 1.00 0.00 C ATOM 284 O SER A 17 -17.208 -0.017 1.544 1.00 0.00 O ATOM 285 CB SER A 17 -20.479 0.627 2.564 1.00 0.00 C ATOM 286 OG SER A 17 -21.377 -0.424 2.878 1.00 0.00 O ATOM 0 H SER A 17 -18.021 1.581 4.332 1.00 0.00 H new ATOM 0 HA SER A 17 -18.967 -0.779 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.818 1.551 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.475 0.797 1.487 1.00 0.00 H new ATOM 0 HG SER A 17 -21.320 -0.628 3.835 1.00 0.00 H new ATOM 292 N VAL A 18 -18.127 2.035 1.626 1.00 0.00 N ATOM 293 CA VAL A 18 -17.215 2.603 0.640 1.00 0.00 C ATOM 294 C VAL A 18 -17.364 4.118 0.562 1.00 0.00 C ATOM 295 O VAL A 18 -18.393 4.627 0.119 1.00 0.00 O ATOM 296 CB VAL A 18 -17.454 2.001 -0.758 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.470 0.874 -1.029 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.888 1.511 -0.888 1.00 0.00 C ATOM 0 H VAL A 18 -18.815 2.693 1.992 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.204 2.357 0.965 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.291 2.780 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.654 0.461 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.452 1.260 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.598 0.092 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.040 1.089 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.081 0.746 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.573 2.346 -0.740 1.00 0.00 H new ATOM 308 N GLU A 19 -16.330 4.832 0.993 1.00 0.00 N ATOM 309 CA GLU A 19 -16.347 6.290 0.972 1.00 0.00 C ATOM 310 C GLU A 19 -15.005 6.843 0.499 1.00 0.00 C ATOM 311 O GLU A 19 -14.540 7.873 0.987 1.00 0.00 O ATOM 312 CB GLU A 19 -16.676 6.839 2.362 1.00 0.00 C ATOM 313 CG GLU A 19 -15.672 6.436 3.429 1.00 0.00 C ATOM 314 CD GLU A 19 -16.267 6.445 4.823 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.491 6.233 4.948 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.508 6.664 5.790 1.00 0.00 O ATOM 0 H GLU A 19 -15.470 4.425 1.361 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.119 6.609 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.723 7.927 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.666 6.490 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.292 5.439 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.821 7.116 3.397 1.00 0.00 H new ATOM 323 N GLU A 20 -14.389 6.150 -0.454 1.00 0.00 N ATOM 324 CA GLU A 20 -13.100 6.571 -0.991 1.00 0.00 C ATOM 325 C GLU A 20 -13.261 7.784 -1.903 1.00 0.00 C ATOM 326 O GLU A 20 -12.309 8.529 -2.137 1.00 0.00 O ATOM 327 CB GLU A 20 -12.445 5.424 -1.762 1.00 0.00 C ATOM 328 CG GLU A 20 -13.347 4.805 -2.816 1.00 0.00 C ATOM 329 CD GLU A 20 -12.586 4.370 -4.053 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.600 3.617 -3.910 1.00 0.00 O ATOM 331 OE2 GLU A 20 -12.977 4.782 -5.165 1.00 0.00 O ATOM 0 H GLU A 20 -14.761 5.296 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.460 6.849 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.538 5.792 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.141 4.651 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.861 3.944 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.114 5.525 -3.101 1.00 0.00 H new ATOM 338 N ASP A 21 -14.472 7.975 -2.415 1.00 0.00 N ATOM 339 CA ASP A 21 -14.759 9.097 -3.301 1.00 0.00 C ATOM 340 C ASP A 21 -15.271 10.297 -2.510 1.00 0.00 C ATOM 341 O ASP A 21 -16.238 10.948 -2.905 1.00 0.00 O ATOM 342 CB ASP A 21 -15.788 8.691 -4.357 1.00 0.00 C ATOM 343 CG ASP A 21 -15.163 7.930 -5.511 1.00 0.00 C ATOM 344 OD1 ASP A 21 -14.365 8.535 -6.257 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.473 6.731 -5.667 1.00 0.00 O ATOM 0 H ASP A 21 -15.271 7.367 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.832 9.381 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.557 8.074 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.283 9.583 -4.740 1.00 0.00 H new ATOM 350 N LYS A 22 -14.616 10.584 -1.390 1.00 0.00 N ATOM 351 CA LYS A 22 -15.004 11.705 -0.543 1.00 0.00 C ATOM 352 C LYS A 22 -14.088 11.810 0.673 1.00 0.00 C ATOM 353 O LYS A 22 -13.808 12.907 1.158 1.00 0.00 O ATOM 354 CB LYS A 22 -16.457 11.550 -0.089 1.00 0.00 C ATOM 355 CG LYS A 22 -16.883 10.105 0.102 1.00 0.00 C ATOM 356 CD LYS A 22 -17.867 9.961 1.251 1.00 0.00 C ATOM 357 CE LYS A 22 -19.130 10.774 1.008 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.299 10.214 1.741 1.00 0.00 N ATOM 0 H LYS A 22 -13.814 10.055 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.909 12.620 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.595 12.088 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.111 12.019 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.338 9.734 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.005 9.488 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.128 8.910 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.396 10.287 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.964 11.805 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.348 10.797 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.140 10.796 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.473 9.239 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.102 10.216 2.762 1.00 0.00 H new ATOM 372 N ILE A 23 -13.625 10.664 1.160 1.00 0.00 N ATOM 373 CA ILE A 23 -12.740 10.628 2.317 1.00 0.00 C ATOM 374 C ILE A 23 -11.465 11.423 2.059 1.00 0.00 C ATOM 375 O ILE A 23 -10.781 11.838 2.994 1.00 0.00 O ATOM 376 CB ILE A 23 -12.363 9.182 2.693 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.645 9.154 4.044 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.490 8.564 1.610 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.494 9.658 5.190 1.00 0.00 C ATOM 0 H ILE A 23 -13.848 9.748 0.771 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.286 11.080 3.145 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.277 8.593 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.330 8.133 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.741 9.759 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.232 7.543 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.034 8.555 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.578 9.151 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.921 9.610 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.788 10.690 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.386 9.038 5.282 1.00 0.00 H new ATOM 391 N GLN A 24 -11.153 11.633 0.784 1.00 0.00 N ATOM 392 CA GLN A 24 -9.960 12.380 0.403 1.00 0.00 C ATOM 393 C GLN A 24 -10.297 13.844 0.136 1.00 0.00 C ATOM 394 O GLN A 24 -10.675 14.211 -0.976 1.00 0.00 O ATOM 395 CB GLN A 24 -9.318 11.758 -0.838 1.00 0.00 C ATOM 396 CG GLN A 24 -7.942 11.167 -0.580 1.00 0.00 C ATOM 397 CD GLN A 24 -7.889 9.675 -0.841 1.00 0.00 C ATOM 398 OE1 GLN A 24 -6.964 9.179 -1.486 1.00 0.00 O ATOM 399 NE2 GLN A 24 -8.883 8.950 -0.342 1.00 0.00 N ATOM 0 H GLN A 24 -11.709 11.297 -0.002 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.253 12.334 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.973 10.977 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.238 12.518 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.211 11.669 -1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.655 11.362 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.629 9.403 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.901 7.941 -0.487 1.00 0.00 H new ATOM 408 N MET A 25 -10.157 14.674 1.164 1.00 0.00 N ATOM 409 CA MET A 25 -10.446 16.099 1.040 1.00 0.00 C ATOM 410 C MET A 25 -9.209 16.933 1.357 1.00 0.00 C ATOM 411 O MET A 25 -9.205 18.149 1.170 1.00 0.00 O ATOM 412 CB MET A 25 -11.593 16.492 1.973 1.00 0.00 C ATOM 413 CG MET A 25 -12.961 16.063 1.467 1.00 0.00 C ATOM 414 SD MET A 25 -13.927 17.442 0.823 1.00 0.00 S ATOM 415 CE MET A 25 -14.184 16.914 -0.869 1.00 0.00 C ATOM 0 H MET A 25 -9.846 14.386 2.091 1.00 0.00 H new ATOM 0 HA MET A 25 -10.742 16.296 0.010 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.422 16.048 2.954 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.587 17.574 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.836 15.315 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.511 15.587 2.278 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.769 17.665 -1.400 1.00 0.00 H new ATOM 0 HE2 MET A 25 -13.220 16.790 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.720 15.965 -0.877 1.00 0.00 H new ATOM 425 N ASN A 26 -8.161 16.272 1.837 1.00 0.00 N ATOM 426 CA ASN A 26 -6.919 16.954 2.180 1.00 0.00 C ATOM 427 C ASN A 26 -7.140 17.949 3.316 1.00 0.00 C ATOM 428 O ASN A 26 -6.311 18.826 3.557 1.00 0.00 O ATOM 429 CB ASN A 26 -6.355 17.678 0.956 1.00 0.00 C ATOM 430 CG ASN A 26 -6.531 16.878 -0.320 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.312 17.251 -1.196 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.804 15.773 -0.431 1.00 0.00 N ATOM 0 H ASN A 26 -8.147 15.265 1.997 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.202 16.203 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.850 18.643 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.295 17.879 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.880 15.195 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.169 15.502 0.320 1.00 0.00 H new ATOM 439 N SER A 27 -8.263 17.804 4.012 1.00 0.00 N ATOM 440 CA SER A 27 -8.596 18.691 5.120 1.00 0.00 C ATOM 441 C SER A 27 -8.563 17.938 6.447 1.00 0.00 C ATOM 442 O SER A 27 -7.592 18.024 7.198 1.00 0.00 O ATOM 443 CB SER A 27 -9.977 19.312 4.907 1.00 0.00 C ATOM 444 OG SER A 27 -9.976 20.191 3.795 1.00 0.00 O ATOM 0 H SER A 27 -8.958 17.080 3.828 1.00 0.00 H new ATOM 0 HA SER A 27 -7.850 19.485 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.713 18.524 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.277 19.855 5.803 1.00 0.00 H new ATOM 0 HG SER A 27 -10.871 20.573 3.679 1.00 0.00 H new ATOM 450 N ASN A 28 -9.632 17.200 6.728 1.00 0.00 N ATOM 451 CA ASN A 28 -9.727 16.432 7.964 1.00 0.00 C ATOM 452 C ASN A 28 -10.620 15.209 7.777 1.00 0.00 C ATOM 453 O ASN A 28 -11.263 15.049 6.739 1.00 0.00 O ATOM 454 CB ASN A 28 -10.274 17.309 9.093 1.00 0.00 C ATOM 455 CG ASN A 28 -9.885 18.766 8.933 1.00 0.00 C ATOM 456 OD1 ASN A 28 -8.848 19.201 9.434 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.718 19.527 8.233 1.00 0.00 N ATOM 0 H ASN A 28 -10.444 17.118 6.117 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.726 16.092 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.361 17.227 9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.903 16.939 10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.510 20.516 8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.566 19.123 7.836 1.00 0.00 H new ATOM 464 N PHE A 29 -10.654 14.348 8.789 1.00 0.00 N ATOM 465 CA PHE A 29 -11.467 13.139 8.736 1.00 0.00 C ATOM 466 C PHE A 29 -12.757 13.316 9.532 1.00 0.00 C ATOM 467 O PHE A 29 -13.851 13.056 9.030 1.00 0.00 O ATOM 468 CB PHE A 29 -10.679 11.945 9.279 1.00 0.00 C ATOM 469 CG PHE A 29 -10.132 11.049 8.205 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.206 11.527 7.291 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.542 9.729 8.109 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.702 10.705 6.301 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.041 8.902 7.121 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.119 9.391 6.217 1.00 0.00 C ATOM 0 H PHE A 29 -10.128 14.465 9.655 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.726 12.951 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.854 12.312 9.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.325 11.361 9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.875 12.553 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.262 9.341 8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.983 11.090 5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.370 7.875 7.056 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.724 8.747 5.445 1.00 0.00 H new ATOM 484 N THR A 30 -12.620 13.759 10.778 1.00 0.00 N ATOM 485 CA THR A 30 -13.772 13.969 11.645 1.00 0.00 C ATOM 486 C THR A 30 -14.152 15.444 11.708 1.00 0.00 C ATOM 487 O THR A 30 -14.990 15.847 12.515 1.00 0.00 O ATOM 488 CB THR A 30 -13.501 13.459 13.074 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.712 13.478 13.838 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.447 14.313 13.762 1.00 0.00 C ATOM 0 H THR A 30 -11.722 13.979 11.209 1.00 0.00 H new ATOM 0 HA THR A 30 -14.598 13.402 11.215 1.00 0.00 H new ATOM 0 HB THR A 30 -13.130 12.436 13.008 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.481 13.517 13.232 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.272 13.934 14.769 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.518 14.273 13.193 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.794 15.345 13.818 1.00 0.00 H new ATOM 498 N LYS A 31 -13.530 16.247 10.851 1.00 0.00 N ATOM 499 CA LYS A 31 -13.803 17.678 10.807 1.00 0.00 C ATOM 500 C LYS A 31 -14.319 18.092 9.433 1.00 0.00 C ATOM 501 O LYS A 31 -14.963 19.131 9.288 1.00 0.00 O ATOM 502 CB LYS A 31 -12.539 18.471 11.148 1.00 0.00 C ATOM 503 CG LYS A 31 -11.543 17.694 11.992 1.00 0.00 C ATOM 504 CD LYS A 31 -10.302 18.518 12.290 1.00 0.00 C ATOM 505 CE LYS A 31 -10.402 19.209 13.641 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.639 20.673 13.499 1.00 0.00 N ATOM 0 H LYS A 31 -12.833 15.930 10.177 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.573 17.897 11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.054 18.781 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.822 19.379 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.014 17.393 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.258 16.780 11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.423 17.873 12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.163 19.264 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.213 18.764 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.483 19.043 14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.701 21.108 14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.853 21.102 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.529 20.832 12.985 1.00 0.00 H new ATOM 520 N ASP A 32 -14.035 17.271 8.428 1.00 0.00 N ATOM 521 CA ASP A 32 -14.473 17.550 7.065 1.00 0.00 C ATOM 522 C ASP A 32 -15.821 16.894 6.782 1.00 0.00 C ATOM 523 O ASP A 32 -16.853 17.564 6.737 1.00 0.00 O ATOM 524 CB ASP A 32 -13.431 17.057 6.060 1.00 0.00 C ATOM 525 CG ASP A 32 -13.848 17.304 4.624 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.752 16.593 4.138 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.270 18.209 3.985 1.00 0.00 O ATOM 0 H ASP A 32 -13.503 16.407 8.531 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.585 18.629 6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.482 17.558 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.264 15.990 6.208 1.00 0.00 H new ATOM 532 N LEU A 33 -15.804 15.579 6.592 1.00 0.00 N ATOM 533 CA LEU A 33 -17.025 14.831 6.312 1.00 0.00 C ATOM 534 C LEU A 33 -17.836 14.617 7.586 1.00 0.00 C ATOM 535 O LEU A 33 -19.042 14.381 7.534 1.00 0.00 O ATOM 536 CB LEU A 33 -16.686 13.481 5.677 1.00 0.00 C ATOM 537 CG LEU A 33 -15.705 12.602 6.454 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.455 11.579 7.293 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.741 11.909 5.502 1.00 0.00 C ATOM 0 H LEU A 33 -14.959 15.009 6.627 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.626 15.413 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.613 12.923 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.273 13.662 4.685 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.128 13.239 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.741 10.962 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.105 12.094 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.058 10.946 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.050 11.288 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.302 11.284 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.179 12.658 4.944 1.00 0.00 H new ATOM 551 N GLY A 34 -17.164 14.702 8.731 1.00 0.00 N ATOM 552 CA GLY A 34 -17.839 14.517 10.002 1.00 0.00 C ATOM 553 C GLY A 34 -17.277 13.352 10.793 1.00 0.00 C ATOM 554 O GLY A 34 -16.721 13.538 11.875 1.00 0.00 O ATOM 0 H GLY A 34 -16.165 14.896 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.751 15.429 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.902 14.353 9.825 1.00 0.00 H new ATOM 558 N ALA A 35 -17.424 12.147 10.252 1.00 0.00 N ATOM 559 CA ALA A 35 -16.927 10.947 10.914 1.00 0.00 C ATOM 560 C ALA A 35 -17.521 10.805 12.311 1.00 0.00 C ATOM 561 O ALA A 35 -17.140 11.524 13.235 1.00 0.00 O ATOM 562 CB ALA A 35 -15.407 10.975 10.986 1.00 0.00 C ATOM 0 H ALA A 35 -17.883 11.976 9.357 1.00 0.00 H new ATOM 0 HA ALA A 35 -17.237 10.083 10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.050 10.073 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.996 11.021 9.978 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.086 11.851 11.549 1.00 0.00 H new ATOM 568 N ASP A 36 -18.457 9.873 12.458 1.00 0.00 N ATOM 569 CA ASP A 36 -19.104 9.636 13.744 1.00 0.00 C ATOM 570 C ASP A 36 -18.187 8.854 14.678 1.00 0.00 C ATOM 571 O ASP A 36 -17.608 7.827 14.330 1.00 0.00 O ATOM 572 CB ASP A 36 -20.418 8.878 13.545 1.00 0.00 C ATOM 573 CG ASP A 36 -21.382 9.617 12.639 1.00 0.00 C ATOM 574 OD1 ASP A 36 -21.241 10.850 12.503 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.278 8.962 12.066 1.00 0.00 O ATOM 0 H ASP A 36 -18.784 9.270 11.703 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.317 10.603 14.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.207 7.896 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.889 8.713 14.514 1.00 0.00 H new ATOM 580 N SER A 37 -18.040 9.352 15.919 1.00 0.00 N ATOM 581 CA SER A 37 -17.200 8.779 16.995 1.00 0.00 C ATOM 582 C SER A 37 -17.149 7.243 16.955 1.00 0.00 C ATOM 583 O SER A 37 -16.108 6.623 17.177 1.00 0.00 O ATOM 584 CB SER A 37 -17.766 9.296 18.328 1.00 0.00 C ATOM 585 OG SER A 37 -19.074 8.775 18.569 1.00 0.00 O ATOM 0 H SER A 37 -18.522 10.201 16.215 1.00 0.00 H new ATOM 0 HA SER A 37 -16.165 9.095 16.864 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.102 9.010 19.144 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.802 10.385 18.313 1.00 0.00 H new ATOM 590 N LEU A 38 -18.300 6.643 16.668 1.00 0.00 N ATOM 591 CA LEU A 38 -18.408 5.190 16.595 1.00 0.00 C ATOM 592 C LEU A 38 -17.609 4.643 15.417 1.00 0.00 C ATOM 593 O LEU A 38 -16.728 3.800 15.589 1.00 0.00 O ATOM 594 CB LEU A 38 -19.875 4.774 16.468 1.00 0.00 C ATOM 595 CG LEU A 38 -20.873 5.569 17.312 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.537 6.651 16.475 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.918 4.642 17.914 1.00 0.00 C ATOM 0 H LEU A 38 -19.171 7.140 16.482 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.996 4.773 17.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -20.167 4.858 15.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.958 3.721 16.738 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.330 6.050 18.126 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.244 7.206 17.092 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.777 7.332 16.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -22.067 6.192 15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.620 5.224 18.511 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.457 4.133 17.115 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.427 3.904 18.548 1.00 0.00 H new ATOM 609 N ASP A 39 -17.920 5.130 14.220 1.00 0.00 N ATOM 610 CA ASP A 39 -17.229 4.692 13.013 1.00 0.00 C ATOM 611 C ASP A 39 -15.785 5.182 13.006 1.00 0.00 C ATOM 612 O ASP A 39 -14.850 4.391 12.875 1.00 0.00 O ATOM 613 CB ASP A 39 -17.960 5.199 11.769 1.00 0.00 C ATOM 614 CG ASP A 39 -19.266 4.469 11.526 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.510 3.449 12.204 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.043 4.917 10.658 1.00 0.00 O ATOM 0 H ASP A 39 -18.646 5.828 14.060 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.223 3.602 13.002 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.158 6.265 11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.314 5.081 10.899 1.00 0.00 H new ATOM 621 N LEU A 40 -15.610 6.492 13.146 1.00 0.00 N ATOM 622 CA LEU A 40 -14.279 7.089 13.155 1.00 0.00 C ATOM 623 C LEU A 40 -13.328 6.288 14.040 1.00 0.00 C ATOM 624 O LEU A 40 -12.318 5.764 13.570 1.00 0.00 O ATOM 625 CB LEU A 40 -14.351 8.537 13.643 1.00 0.00 C ATOM 626 CG LEU A 40 -13.010 9.242 13.852 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.498 9.816 12.541 1.00 0.00 C ATOM 628 CD2 LEU A 40 -13.142 10.337 14.901 1.00 0.00 C ATOM 0 H LEU A 40 -16.373 7.160 13.255 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.895 7.075 12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.934 9.113 12.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.899 8.555 14.585 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.287 8.509 14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.543 10.314 12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.365 9.011 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.219 10.536 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.179 10.828 15.037 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.879 11.069 14.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.463 9.899 15.846 1.00 0.00 H new ATOM 640 N VAL A 41 -13.660 6.197 15.324 1.00 0.00 N ATOM 641 CA VAL A 41 -12.838 5.457 16.275 1.00 0.00 C ATOM 642 C VAL A 41 -12.727 3.989 15.880 1.00 0.00 C ATOM 643 O VAL A 41 -11.724 3.335 16.162 1.00 0.00 O ATOM 644 CB VAL A 41 -13.409 5.552 17.702 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.598 4.693 18.660 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.442 7.000 18.168 1.00 0.00 C ATOM 0 H VAL A 41 -14.492 6.626 15.730 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.847 5.910 16.257 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.432 5.175 17.691 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -13.016 4.773 19.663 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.632 3.653 18.334 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.564 5.036 18.670 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.848 7.048 19.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.431 7.407 18.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.071 7.584 17.496 1.00 0.00 H new ATOM 656 N GLU A 42 -13.764 3.478 15.224 1.00 0.00 N ATOM 657 CA GLU A 42 -13.782 2.086 14.790 1.00 0.00 C ATOM 658 C GLU A 42 -12.767 1.850 13.676 1.00 0.00 C ATOM 659 O GLU A 42 -11.737 1.207 13.885 1.00 0.00 O ATOM 660 CB GLU A 42 -15.182 1.696 14.310 1.00 0.00 C ATOM 661 CG GLU A 42 -16.024 1.017 15.377 1.00 0.00 C ATOM 662 CD GLU A 42 -15.997 -0.495 15.266 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.966 -1.098 15.632 1.00 0.00 O ATOM 664 OE2 GLU A 42 -17.006 -1.076 14.814 1.00 0.00 O ATOM 0 H GLU A 42 -14.602 4.007 14.982 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.511 1.463 15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.701 2.590 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.090 1.029 13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.662 1.312 16.362 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.054 1.365 15.298 1.00 0.00 H new ATOM 671 N LEU A 43 -13.064 2.375 12.492 1.00 0.00 N ATOM 672 CA LEU A 43 -12.178 2.222 11.343 1.00 0.00 C ATOM 673 C LEU A 43 -10.736 2.546 11.721 1.00 0.00 C ATOM 674 O LEU A 43 -9.798 1.921 11.224 1.00 0.00 O ATOM 675 CB LEU A 43 -12.633 3.128 10.199 1.00 0.00 C ATOM 676 CG LEU A 43 -12.549 4.633 10.459 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.380 5.241 9.701 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.853 5.315 10.071 1.00 0.00 C ATOM 0 H LEU A 43 -13.911 2.910 12.303 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.224 1.183 11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.032 2.898 9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.666 2.879 9.954 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.384 4.790 11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.336 6.312 9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.451 4.773 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.513 5.074 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.775 6.385 10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.049 5.150 9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.670 4.899 10.660 1.00 0.00 H new ATOM 690 N ILE A 44 -10.566 3.526 12.603 1.00 0.00 N ATOM 691 CA ILE A 44 -9.239 3.930 13.049 1.00 0.00 C ATOM 692 C ILE A 44 -8.569 2.823 13.856 1.00 0.00 C ATOM 693 O ILE A 44 -7.437 2.433 13.573 1.00 0.00 O ATOM 694 CB ILE A 44 -9.298 5.210 13.904 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.567 6.429 13.019 1.00 0.00 C ATOM 696 CG2 ILE A 44 -8.003 5.388 14.681 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.865 7.689 13.801 1.00 0.00 C ATOM 0 H ILE A 44 -11.331 4.054 13.022 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.652 4.128 12.152 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.117 5.115 14.617 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.700 6.603 12.381 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.408 6.212 12.361 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.060 6.297 15.280 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.851 4.530 15.336 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.168 5.465 13.984 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.046 8.512 13.110 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.750 7.533 14.419 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.015 7.931 14.439 1.00 0.00 H new ATOM 709 N MET A 45 -9.278 2.320 14.862 1.00 0.00 N ATOM 710 CA MET A 45 -8.753 1.255 15.709 1.00 0.00 C ATOM 711 C MET A 45 -8.289 0.070 14.867 1.00 0.00 C ATOM 712 O MET A 45 -7.412 -0.688 15.277 1.00 0.00 O ATOM 713 CB MET A 45 -9.816 0.800 16.710 1.00 0.00 C ATOM 714 CG MET A 45 -10.676 -0.347 16.204 1.00 0.00 C ATOM 715 SD MET A 45 -10.054 -1.960 16.717 1.00 0.00 S ATOM 716 CE MET A 45 -11.458 -3.003 16.328 1.00 0.00 C ATOM 0 H MET A 45 -10.217 2.633 15.110 1.00 0.00 H new ATOM 0 HA MET A 45 -7.895 1.648 16.255 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.326 0.495 17.635 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.459 1.645 16.954 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.695 -0.221 16.571 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.722 -0.309 15.116 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.228 -4.036 16.590 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.327 -2.670 16.896 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.675 -2.938 15.262 1.00 0.00 H new ATOM 726 N ALA A 46 -8.884 -0.082 13.689 1.00 0.00 N ATOM 727 CA ALA A 46 -8.531 -1.173 12.789 1.00 0.00 C ATOM 728 C ALA A 46 -7.249 -0.860 12.025 1.00 0.00 C ATOM 729 O ALA A 46 -6.417 -1.741 11.801 1.00 0.00 O ATOM 730 CB ALA A 46 -9.671 -1.450 11.821 1.00 0.00 C ATOM 0 H ALA A 46 -9.613 0.537 13.335 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.356 -2.065 13.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.393 -2.267 11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.565 -1.726 12.381 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.874 -0.555 11.232 1.00 0.00 H new ATOM 736 N LEU A 47 -7.096 0.397 11.625 1.00 0.00 N ATOM 737 CA LEU A 47 -5.915 0.826 10.884 1.00 0.00 C ATOM 738 C LEU A 47 -4.643 0.552 11.680 1.00 0.00 C ATOM 739 O LEU A 47 -3.665 0.030 11.146 1.00 0.00 O ATOM 740 CB LEU A 47 -6.011 2.316 10.550 1.00 0.00 C ATOM 741 CG LEU A 47 -5.544 2.722 9.152 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.626 4.231 8.979 1.00 0.00 C ATOM 743 CD2 LEU A 47 -4.126 2.232 8.900 1.00 0.00 C ATOM 0 H LEU A 47 -7.775 1.137 11.801 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.871 0.255 9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.048 2.629 10.670 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.424 2.871 11.282 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.204 2.256 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.290 4.501 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.657 4.557 9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.990 4.717 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.810 2.530 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.453 2.669 9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.097 1.145 8.981 1.00 0.00 H new ATOM 755 N GLU A 48 -4.665 0.907 12.961 1.00 0.00 N ATOM 756 CA GLU A 48 -3.514 0.698 13.831 1.00 0.00 C ATOM 757 C GLU A 48 -3.357 -0.780 14.180 1.00 0.00 C ATOM 758 O GLU A 48 -2.247 -1.311 14.188 1.00 0.00 O ATOM 759 CB GLU A 48 -3.657 1.523 15.111 1.00 0.00 C ATOM 760 CG GLU A 48 -2.750 1.060 16.239 1.00 0.00 C ATOM 761 CD GLU A 48 -3.481 0.216 17.266 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.552 0.651 17.738 1.00 0.00 O ATOM 763 OE2 GLU A 48 -2.981 -0.879 17.597 1.00 0.00 O ATOM 0 H GLU A 48 -5.467 1.340 13.419 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.622 1.024 13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.439 2.567 14.886 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.693 1.479 15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.924 0.484 15.823 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.316 1.930 16.732 1.00 0.00 H new ATOM 770 N GLU A 49 -4.476 -1.435 14.470 1.00 0.00 N ATOM 771 CA GLU A 49 -4.463 -2.850 14.822 1.00 0.00 C ATOM 772 C GLU A 49 -3.880 -3.687 13.687 1.00 0.00 C ATOM 773 O GLU A 49 -3.378 -4.790 13.907 1.00 0.00 O ATOM 774 CB GLU A 49 -5.878 -3.331 15.149 1.00 0.00 C ATOM 775 CG GLU A 49 -6.217 -3.261 16.629 1.00 0.00 C ATOM 776 CD GLU A 49 -7.481 -4.024 16.974 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.068 -4.645 16.063 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.884 -4.000 18.156 1.00 0.00 O ATOM 0 H GLU A 49 -5.403 -1.009 14.468 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.833 -2.973 15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.595 -2.729 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.991 -4.360 14.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.385 -3.662 17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.335 -2.218 16.922 1.00 0.00 H new ATOM 785 N LYS A 50 -3.950 -3.156 12.471 1.00 0.00 N ATOM 786 CA LYS A 50 -3.429 -3.851 11.300 1.00 0.00 C ATOM 787 C LYS A 50 -1.956 -3.521 11.081 1.00 0.00 C ATOM 788 O LYS A 50 -1.150 -4.403 10.782 1.00 0.00 O ATOM 789 CB LYS A 50 -4.237 -3.474 10.056 1.00 0.00 C ATOM 790 CG LYS A 50 -3.712 -4.101 8.776 1.00 0.00 C ATOM 791 CD LYS A 50 -4.377 -3.502 7.548 1.00 0.00 C ATOM 792 CE LYS A 50 -3.684 -3.945 6.268 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.257 -3.522 6.235 1.00 0.00 N ATOM 0 H LYS A 50 -4.363 -2.245 12.271 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.521 -4.923 11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.274 -3.778 10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.235 -2.389 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.634 -3.955 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.888 -5.177 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.425 -3.801 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.357 -2.414 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.743 -5.030 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.207 -3.526 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.906 -3.562 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.175 -2.549 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.692 -4.159 6.832 1.00 0.00 H new ATOM 807 N PHE A 51 -1.611 -2.247 11.234 1.00 0.00 N ATOM 808 CA PHE A 51 -0.234 -1.801 11.054 1.00 0.00 C ATOM 809 C PHE A 51 0.653 -2.301 12.191 1.00 0.00 C ATOM 810 O PHE A 51 1.878 -2.232 12.113 1.00 0.00 O ATOM 811 CB PHE A 51 -0.176 -0.274 10.980 1.00 0.00 C ATOM 812 CG PHE A 51 -0.190 0.259 9.576 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.718 -0.202 8.636 1.00 0.00 C ATOM 814 CD2 PHE A 51 -1.112 1.220 9.195 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.707 0.287 7.344 1.00 0.00 C ATOM 816 CE2 PHE A 51 -1.128 1.713 7.904 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.218 1.245 6.977 1.00 0.00 C ATOM 0 H PHE A 51 -2.266 -1.505 11.482 1.00 0.00 H new ATOM 0 HA PHE A 51 0.137 -2.218 10.118 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.023 0.141 11.526 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.727 0.072 11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.443 -0.952 8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.827 1.588 9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.421 -0.079 6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.851 2.463 7.621 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.229 1.627 5.967 1.00 0.00 H new ATOM 827 N ASN A 52 0.022 -2.803 13.248 1.00 0.00 N ATOM 828 CA ASN A 52 0.753 -3.313 14.402 1.00 0.00 C ATOM 829 C ASN A 52 1.498 -2.188 15.115 1.00 0.00 C ATOM 830 O ASN A 52 2.678 -2.319 15.440 1.00 0.00 O ATOM 831 CB ASN A 52 1.740 -4.398 13.968 1.00 0.00 C ATOM 832 CG ASN A 52 2.249 -5.219 15.138 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.485 -5.590 16.029 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.546 -5.505 15.141 1.00 0.00 N ATOM 0 H ASN A 52 -0.993 -2.867 13.329 1.00 0.00 H new ATOM 0 HA ASN A 52 0.031 -3.744 15.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.257 -5.058 13.248 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.585 -3.934 13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.946 -6.053 15.903 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.142 -5.177 14.381 1.00 0.00 H new ATOM 841 N VAL A 53 0.799 -1.084 15.357 1.00 0.00 N ATOM 842 CA VAL A 53 1.392 0.064 16.033 1.00 0.00 C ATOM 843 C VAL A 53 0.651 0.383 17.327 1.00 0.00 C ATOM 844 O VAL A 53 -0.291 -0.314 17.705 1.00 0.00 O ATOM 845 CB VAL A 53 1.388 1.312 15.130 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.776 1.567 14.564 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.368 1.156 14.012 1.00 0.00 C ATOM 0 H VAL A 53 -0.179 -0.960 15.095 1.00 0.00 H new ATOM 0 HA VAL A 53 2.423 -0.203 16.265 1.00 0.00 H new ATOM 0 HB VAL A 53 1.104 2.175 15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.753 2.453 13.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.479 1.725 15.382 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.093 0.706 13.975 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.378 2.046 13.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.619 0.283 13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.625 1.026 14.441 1.00 0.00 H new ATOM 857 N THR A 54 1.082 1.444 18.003 1.00 0.00 N ATOM 858 CA THR A 54 0.461 1.856 19.255 1.00 0.00 C ATOM 859 C THR A 54 0.154 3.349 19.251 1.00 0.00 C ATOM 860 O THR A 54 0.840 4.135 19.905 1.00 0.00 O ATOM 861 CB THR A 54 1.361 1.532 20.462 1.00 0.00 C ATOM 862 OG1 THR A 54 0.789 2.073 21.659 1.00 0.00 O ATOM 863 CG2 THR A 54 2.759 2.097 20.262 1.00 0.00 C ATOM 0 H THR A 54 1.859 2.033 17.704 1.00 0.00 H new ATOM 0 HA THR A 54 -0.470 1.296 19.345 1.00 0.00 H new ATOM 0 HB THR A 54 1.434 0.448 20.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.366 1.861 22.422 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.376 1.856 21.127 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.203 1.661 19.367 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.701 3.180 20.148 1.00 0.00 H new ATOM 871 N ILE A 55 -0.880 3.734 18.510 1.00 0.00 N ATOM 872 CA ILE A 55 -1.278 5.133 18.423 1.00 0.00 C ATOM 873 C ILE A 55 -2.609 5.371 19.128 1.00 0.00 C ATOM 874 O ILE A 55 -3.432 4.463 19.246 1.00 0.00 O ATOM 875 CB ILE A 55 -1.396 5.595 16.959 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.350 4.890 16.093 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.237 7.106 16.865 1.00 0.00 C ATOM 878 CD1 ILE A 55 -0.905 3.724 15.304 1.00 0.00 C ATOM 0 H ILE A 55 -1.457 3.096 17.961 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.499 5.714 18.917 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.386 5.330 16.589 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.084 5.612 15.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.459 4.534 16.732 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.323 7.417 15.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.015 7.591 17.454 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.259 7.394 17.250 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.108 3.272 14.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.314 2.982 15.990 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.694 4.077 14.640 1.00 0.00 H new ATOM 890 N SER A 56 -2.816 6.599 19.593 1.00 0.00 N ATOM 891 CA SER A 56 -4.047 6.956 20.288 1.00 0.00 C ATOM 892 C SER A 56 -4.172 8.470 20.428 1.00 0.00 C ATOM 893 O SER A 56 -5.204 9.053 20.096 1.00 0.00 O ATOM 894 CB SER A 56 -4.087 6.299 21.669 1.00 0.00 C ATOM 895 OG SER A 56 -5.130 6.840 22.461 1.00 0.00 O ATOM 0 H SER A 56 -2.147 7.363 19.501 1.00 0.00 H new ATOM 0 HA SER A 56 -4.888 6.593 19.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.229 5.224 21.560 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.131 6.444 22.172 1.00 0.00 H new ATOM 0 HG SER A 56 -5.135 6.403 23.338 1.00 0.00 H new ATOM 901 N ASP A 57 -3.112 9.101 20.923 1.00 0.00 N ATOM 902 CA ASP A 57 -3.101 10.548 21.107 1.00 0.00 C ATOM 903 C ASP A 57 -3.274 11.267 19.773 1.00 0.00 C ATOM 904 O ASP A 57 -3.875 12.339 19.709 1.00 0.00 O ATOM 905 CB ASP A 57 -1.796 10.988 21.773 1.00 0.00 C ATOM 906 CG ASP A 57 -1.927 12.326 22.475 1.00 0.00 C ATOM 907 OD1 ASP A 57 -2.602 13.221 21.924 1.00 0.00 O ATOM 908 OD2 ASP A 57 -1.355 12.478 23.574 1.00 0.00 O ATOM 0 H ASP A 57 -2.250 8.633 21.204 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.938 10.814 21.753 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.486 10.231 22.494 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.010 11.051 21.020 1.00 0.00 H new ATOM 913 N GLN A 58 -2.742 10.670 18.711 1.00 0.00 N ATOM 914 CA GLN A 58 -2.836 11.255 17.379 1.00 0.00 C ATOM 915 C GLN A 58 -3.632 10.352 16.443 1.00 0.00 C ATOM 916 O GLN A 58 -4.087 10.786 15.384 1.00 0.00 O ATOM 917 CB GLN A 58 -1.439 11.500 16.806 1.00 0.00 C ATOM 918 CG GLN A 58 -1.114 12.971 16.604 1.00 0.00 C ATOM 919 CD GLN A 58 0.004 13.451 17.509 1.00 0.00 C ATOM 920 OE1 GLN A 58 0.999 14.007 17.044 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.155 13.239 18.810 1.00 0.00 N ATOM 0 H GLN A 58 -2.242 9.782 18.747 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.357 12.208 17.465 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.699 11.061 17.475 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.351 10.983 15.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.832 13.137 15.564 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.008 13.566 16.791 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.996 12.774 19.152 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.564 13.541 19.468 1.00 0.00 H new ATOM 930 N ASP A 59 -3.795 9.095 16.839 1.00 0.00 N ATOM 931 CA ASP A 59 -4.537 8.130 16.036 1.00 0.00 C ATOM 932 C ASP A 59 -5.902 8.685 15.643 1.00 0.00 C ATOM 933 O ASP A 59 -6.486 8.273 14.641 1.00 0.00 O ATOM 934 CB ASP A 59 -4.707 6.818 16.804 1.00 0.00 C ATOM 935 CG ASP A 59 -5.084 5.662 15.899 1.00 0.00 C ATOM 936 OD1 ASP A 59 -4.996 5.823 14.664 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.469 4.597 16.425 1.00 0.00 O ATOM 0 H ASP A 59 -3.423 8.720 17.712 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.968 7.938 15.126 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.778 6.581 17.323 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.475 6.944 17.567 1.00 0.00 H new ATOM 942 N ALA A 60 -6.406 9.622 16.440 1.00 0.00 N ATOM 943 CA ALA A 60 -7.702 10.234 16.175 1.00 0.00 C ATOM 944 C ALA A 60 -7.539 11.627 15.576 1.00 0.00 C ATOM 945 O ALA A 60 -8.444 12.139 14.915 1.00 0.00 O ATOM 946 CB ALA A 60 -8.526 10.300 17.453 1.00 0.00 C ATOM 0 H ALA A 60 -5.936 9.974 17.274 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.227 9.614 15.449 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.491 10.759 17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.681 9.292 17.839 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.997 10.896 18.197 1.00 0.00 H new ATOM 952 N LEU A 61 -6.382 12.235 15.811 1.00 0.00 N ATOM 953 CA LEU A 61 -6.101 13.570 15.295 1.00 0.00 C ATOM 954 C LEU A 61 -4.769 13.597 14.552 1.00 0.00 C ATOM 955 O LEU A 61 -3.832 14.285 14.960 1.00 0.00 O ATOM 956 CB LEU A 61 -6.082 14.587 16.437 1.00 0.00 C ATOM 957 CG LEU A 61 -5.587 14.069 17.788 1.00 0.00 C ATOM 958 CD1 LEU A 61 -4.598 15.046 18.405 1.00 0.00 C ATOM 959 CD2 LEU A 61 -6.759 13.828 18.729 1.00 0.00 C ATOM 0 H LEU A 61 -5.623 11.825 16.355 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.893 13.836 14.594 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.453 15.426 16.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.092 14.976 16.567 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.076 13.120 17.626 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.257 14.660 19.366 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.744 15.168 17.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.084 16.011 18.553 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.388 13.460 19.685 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.299 14.762 18.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.431 13.089 18.292 1.00 0.00 H new ATOM 971 N LYS A 62 -4.691 12.846 13.459 1.00 0.00 N ATOM 972 CA LYS A 62 -3.475 12.786 12.656 1.00 0.00 C ATOM 973 C LYS A 62 -3.796 12.421 11.210 1.00 0.00 C ATOM 974 O LYS A 62 -3.327 13.074 10.277 1.00 0.00 O ATOM 975 CB LYS A 62 -2.500 11.765 13.247 1.00 0.00 C ATOM 976 CG LYS A 62 -1.275 11.523 12.381 1.00 0.00 C ATOM 977 CD LYS A 62 0.005 11.898 13.109 1.00 0.00 C ATOM 978 CE LYS A 62 0.472 10.779 14.027 1.00 0.00 C ATOM 979 NZ LYS A 62 1.810 10.258 13.630 1.00 0.00 N ATOM 0 H LYS A 62 -5.456 12.270 13.108 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.011 13.772 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.178 12.109 14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.022 10.820 13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.235 10.473 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.356 12.105 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.785 12.124 12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.159 12.804 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.514 11.145 15.053 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.254 9.967 14.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.797 9.218 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.038 10.584 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.530 10.608 14.294 1.00 0.00 H new ATOM 993 N ILE A 63 -4.597 11.377 11.032 1.00 0.00 N ATOM 994 CA ILE A 63 -4.982 10.928 9.699 1.00 0.00 C ATOM 995 C ILE A 63 -5.936 11.918 9.040 1.00 0.00 C ATOM 996 O ILE A 63 -6.192 11.843 7.839 1.00 0.00 O ATOM 997 CB ILE A 63 -5.648 9.541 9.743 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.647 8.484 10.214 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.206 9.178 8.375 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.499 8.419 11.718 1.00 0.00 C ATOM 0 H ILE A 63 -4.992 10.826 11.794 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.067 10.863 9.111 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.474 9.573 10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.962 7.508 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.674 8.694 9.770 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.674 8.195 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.948 9.919 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.397 9.160 7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.774 7.648 11.979 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.154 9.383 12.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.462 8.179 12.168 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.458 12.847 9.835 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.384 13.853 9.328 1.00 0.00 C ATOM 1014 C ASN A 64 -6.913 14.398 7.983 1.00 0.00 C ATOM 1015 O ASN A 64 -7.687 14.485 7.029 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.526 14.998 10.334 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.403 15.015 11.352 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.560 14.532 12.474 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.261 15.573 10.966 1.00 0.00 N ATOM 0 H ASN A 64 -6.256 12.924 10.832 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.355 13.379 9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.543 15.948 9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.481 14.907 10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.470 15.613 11.609 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.175 15.961 10.027 1.00 0.00 H new ATOM 1026 N THR A 65 -5.636 14.765 7.914 1.00 0.00 N ATOM 1027 CA THR A 65 -5.061 15.301 6.687 1.00 0.00 C ATOM 1028 C THR A 65 -4.327 14.219 5.904 1.00 0.00 C ATOM 1029 O THR A 65 -3.433 13.556 6.431 1.00 0.00 O ATOM 1030 CB THR A 65 -4.085 16.456 6.983 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.813 15.932 7.380 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.631 17.359 8.078 1.00 0.00 C ATOM 0 H THR A 65 -4.981 14.700 8.694 1.00 0.00 H new ATOM 0 HA THR A 65 -5.890 15.679 6.088 1.00 0.00 H new ATOM 0 HB THR A 65 -3.967 17.045 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.198 16.672 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.925 18.167 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.585 17.779 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.775 16.779 8.990 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.710 14.044 4.643 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.087 13.043 3.787 1.00 0.00 C ATOM 1042 C VAL A 66 -2.567 13.106 3.883 1.00 0.00 C ATOM 1043 O VAL A 66 -1.886 12.086 3.779 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.505 13.224 2.315 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.732 12.268 1.419 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.004 13.021 2.159 1.00 0.00 C ATOM 0 H VAL A 66 -5.449 14.583 4.192 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.430 12.070 4.138 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.266 14.243 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.041 12.410 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.664 12.467 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.937 11.241 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.282 13.152 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.270 12.014 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.535 13.750 2.770 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.042 14.310 4.084 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.601 14.506 4.195 1.00 0.00 C ATOM 1058 C GLN A 67 -0.065 13.888 5.482 1.00 0.00 C ATOM 1059 O GLN A 67 0.875 13.094 5.457 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.263 15.997 4.151 1.00 0.00 C ATOM 1061 CG GLN A 67 1.207 16.295 4.403 1.00 0.00 C ATOM 1062 CD GLN A 67 2.115 15.673 3.361 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.287 16.213 2.268 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.702 14.529 3.694 1.00 0.00 N ATOM 0 H GLN A 67 -2.592 15.164 4.173 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.126 14.008 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.544 16.396 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.864 16.520 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.358 17.374 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.485 15.924 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.531 14.116 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.323 14.063 3.033 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.669 14.259 6.606 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.253 13.740 7.904 1.00 0.00 C ATOM 1075 C ASP A 68 -0.555 12.249 8.017 1.00 0.00 C ATOM 1076 O ASP A 68 0.125 11.521 8.739 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.955 14.502 9.030 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.420 14.133 10.400 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.684 13.553 10.469 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.105 14.424 11.403 1.00 0.00 O ATOM 0 H ASP A 68 -1.448 14.917 6.644 1.00 0.00 H new ATOM 0 HA ASP A 68 0.824 13.881 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.832 15.573 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.025 14.295 8.993 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.580 11.803 7.298 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.972 10.399 7.316 1.00 0.00 C ATOM 1087 C ALA A 69 -0.861 9.512 6.764 1.00 0.00 C ATOM 1088 O ALA A 69 -0.306 8.679 7.481 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.253 10.198 6.521 1.00 0.00 C ATOM 0 H ALA A 69 -2.154 12.394 6.696 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.151 10.111 8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.534 9.145 6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.052 10.796 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.093 10.509 5.489 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.542 9.696 5.488 1.00 0.00 N ATOM 1096 CA ILE A 70 0.503 8.912 4.841 1.00 0.00 C ATOM 1097 C ILE A 70 1.836 9.068 5.567 1.00 0.00 C ATOM 1098 O ILE A 70 2.684 8.177 5.525 1.00 0.00 O ATOM 1099 CB ILE A 70 0.684 9.322 3.367 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.178 10.767 3.273 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.623 9.153 2.607 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.685 10.889 3.245 1.00 0.00 C ATOM 0 H ILE A 70 -0.992 10.381 4.881 1.00 0.00 H new ATOM 0 HA ILE A 70 0.187 7.870 4.884 1.00 0.00 H new ATOM 0 HB ILE A 70 1.433 8.672 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.768 11.225 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.792 11.331 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.480 9.447 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.937 8.110 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.391 9.781 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.964 11.941 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.102 10.461 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.077 10.354 2.380 1.00 0.00 H new ATOM 1114 N ASP A 71 2.011 10.204 6.233 1.00 0.00 N ATOM 1115 CA ASP A 71 3.239 10.475 6.971 1.00 0.00 C ATOM 1116 C ASP A 71 3.220 9.784 8.331 1.00 0.00 C ATOM 1117 O ASP A 71 4.269 9.513 8.915 1.00 0.00 O ATOM 1118 CB ASP A 71 3.427 11.982 7.153 1.00 0.00 C ATOM 1119 CG ASP A 71 4.791 12.332 7.716 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.026 12.062 8.912 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.623 12.874 6.959 1.00 0.00 O ATOM 0 H ASP A 71 1.318 10.952 6.277 1.00 0.00 H new ATOM 0 HA ASP A 71 4.075 10.079 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.295 12.480 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.653 12.364 7.819 1.00 0.00 H new ATOM 1126 N TYR A 72 2.021 9.504 8.829 1.00 0.00 N ATOM 1127 CA TYR A 72 1.865 8.848 10.122 1.00 0.00 C ATOM 1128 C TYR A 72 2.137 7.351 10.010 1.00 0.00 C ATOM 1129 O TYR A 72 2.661 6.733 10.937 1.00 0.00 O ATOM 1130 CB TYR A 72 0.456 9.082 10.669 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.259 7.810 11.065 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.106 7.111 12.208 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.301 7.307 10.294 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.544 5.948 12.573 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.958 6.146 10.652 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.576 5.469 11.792 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.227 4.312 12.152 1.00 0.00 O ATOM 0 H TYR A 72 1.143 9.721 8.357 1.00 0.00 H new ATOM 0 HA TYR A 72 2.591 9.280 10.810 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.517 9.740 11.536 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.136 9.602 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.912 7.483 12.823 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.602 7.833 9.400 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.246 5.417 13.465 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.767 5.770 10.043 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.928 4.114 11.497 1.00 0.00 H new ATOM 1147 N ILE A 73 1.777 6.775 8.868 1.00 0.00 N ATOM 1148 CA ILE A 73 1.983 5.351 8.633 1.00 0.00 C ATOM 1149 C ILE A 73 3.398 5.076 8.134 1.00 0.00 C ATOM 1150 O ILE A 73 3.964 4.016 8.399 1.00 0.00 O ATOM 1151 CB ILE A 73 0.973 4.798 7.610 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.276 5.345 6.214 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.448 5.148 8.026 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.130 4.421 5.374 1.00 0.00 C ATOM 0 H ILE A 73 1.341 7.272 8.091 1.00 0.00 H new ATOM 0 HA ILE A 73 1.833 4.848 9.588 1.00 0.00 H new ATOM 0 HB ILE A 73 1.065 3.712 7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.336 5.531 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.782 6.306 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.150 4.750 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.659 4.713 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.555 6.231 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.304 4.874 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.085 4.255 5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.617 3.468 5.246 1.00 0.00 H new ATOM 1166 N GLU A 74 3.963 6.039 7.413 1.00 0.00 N ATOM 1167 CA GLU A 74 5.313 5.900 6.878 1.00 0.00 C ATOM 1168 C GLU A 74 6.355 6.096 7.975 1.00 0.00 C ATOM 1169 O GLU A 74 7.413 5.467 7.962 1.00 0.00 O ATOM 1170 CB GLU A 74 5.546 6.909 5.752 1.00 0.00 C ATOM 1171 CG GLU A 74 4.891 6.516 4.438 1.00 0.00 C ATOM 1172 CD GLU A 74 5.903 6.202 3.353 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.491 7.152 2.796 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.106 5.005 3.062 1.00 0.00 O ATOM 0 H GLU A 74 3.508 6.923 7.186 1.00 0.00 H new ATOM 0 HA GLU A 74 5.416 4.891 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.164 7.882 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.618 7.023 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.255 5.646 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.244 7.326 4.102 1.00 0.00 H new ATOM 1181 N LYS A 75 6.049 6.973 8.924 1.00 0.00 N ATOM 1182 CA LYS A 75 6.957 7.254 10.030 1.00 0.00 C ATOM 1183 C LYS A 75 6.891 6.151 11.082 1.00 0.00 C ATOM 1184 O LYS A 75 7.909 5.761 11.651 1.00 0.00 O ATOM 1185 CB LYS A 75 6.616 8.602 10.668 1.00 0.00 C ATOM 1186 CG LYS A 75 5.311 8.594 11.447 1.00 0.00 C ATOM 1187 CD LYS A 75 4.864 10.003 11.799 1.00 0.00 C ATOM 1188 CE LYS A 75 5.867 10.696 12.708 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.301 11.928 13.322 1.00 0.00 N ATOM 0 H LYS A 75 5.178 7.503 8.950 1.00 0.00 H new ATOM 0 HA LYS A 75 7.971 7.293 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.426 8.894 11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.558 9.360 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.537 8.102 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.435 8.012 12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.737 10.584 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.892 9.965 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.179 10.009 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.759 10.952 12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.016 12.371 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.026 12.595 12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.465 11.681 13.889 1.00 0.00 H new ATOM 1203 N ASN A 76 5.685 5.651 11.333 1.00 0.00 N ATOM 1204 CA ASN A 76 5.487 4.591 12.316 1.00 0.00 C ATOM 1205 C ASN A 76 5.717 3.219 11.690 1.00 0.00 C ATOM 1206 O ASN A 76 6.768 2.609 11.877 1.00 0.00 O ATOM 1207 CB ASN A 76 4.075 4.668 12.901 1.00 0.00 C ATOM 1208 CG ASN A 76 3.945 5.747 13.958 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.472 5.616 15.062 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.239 6.821 13.623 1.00 0.00 N ATOM 0 H ASN A 76 4.831 5.962 10.870 1.00 0.00 H new ATOM 0 HA ASN A 76 6.213 4.731 13.117 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.363 4.861 12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.812 3.704 13.336 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.116 7.580 14.293 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.820 6.887 12.696 1.00 0.00 H new ATOM 1217 N ASN A 77 4.725 2.740 10.946 1.00 0.00 N ATOM 1218 CA ASN A 77 4.819 1.440 10.293 1.00 0.00 C ATOM 1219 C ASN A 77 5.236 0.360 11.287 1.00 0.00 C ATOM 1220 O ASN A 77 5.254 0.588 12.496 1.00 0.00 O ATOM 1221 CB ASN A 77 5.819 1.498 9.136 1.00 0.00 C ATOM 1222 CG ASN A 77 5.382 0.659 7.951 1.00 0.00 C ATOM 1223 OD1 ASN A 77 5.933 -0.413 7.698 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.388 1.144 7.217 1.00 0.00 N ATOM 0 H ASN A 77 3.847 3.233 10.781 1.00 0.00 H new ATOM 0 HA ASN A 77 3.834 1.187 9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.943 2.533 8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.793 1.152 9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.052 0.624 6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.961 2.037 7.463 1.00 0.00 H new ATOM 1231 N LYS A 78 5.570 -0.817 10.768 1.00 0.00 N ATOM 1232 CA LYS A 78 5.989 -1.932 11.608 1.00 0.00 C ATOM 1233 C LYS A 78 7.171 -2.668 10.986 1.00 0.00 C ATOM 1234 O LYS A 78 7.267 -3.892 11.074 1.00 0.00 O ATOM 1235 CB LYS A 78 4.825 -2.903 11.820 1.00 0.00 C ATOM 1236 CG LYS A 78 4.086 -3.255 10.541 1.00 0.00 C ATOM 1237 CD LYS A 78 3.311 -4.555 10.684 1.00 0.00 C ATOM 1238 CE LYS A 78 4.079 -5.729 10.096 1.00 0.00 C ATOM 1239 NZ LYS A 78 3.387 -7.024 10.345 1.00 0.00 N ATOM 0 H LYS A 78 5.558 -1.023 9.769 1.00 0.00 H new ATOM 0 HA LYS A 78 6.300 -1.531 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.205 -3.818 12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.121 -2.464 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.400 -2.448 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.798 -3.343 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.106 -4.744 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.347 -4.462 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.201 -5.583 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.079 -5.762 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.941 -7.799 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.293 -7.176 11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.442 -7.002 9.910 1.00 0.00 H new ATOM 1253 N GLN A 79 8.068 -1.914 10.358 1.00 0.00 N ATOM 1254 CA GLN A 79 9.244 -2.497 9.722 1.00 0.00 C ATOM 1255 C GLN A 79 8.842 -3.546 8.691 1.00 0.00 C ATOM 1256 O GLN A 79 8.987 -4.747 8.923 1.00 0.00 O ATOM 1257 CB GLN A 79 10.161 -3.123 10.774 1.00 0.00 C ATOM 1258 CG GLN A 79 10.402 -2.230 11.980 1.00 0.00 C ATOM 1259 CD GLN A 79 10.677 -0.790 11.595 1.00 0.00 C ATOM 1260 OE1 GLN A 79 10.125 0.139 12.185 1.00 0.00 O ATOM 1261 NE2 GLN A 79 11.535 -0.597 10.600 1.00 0.00 N ATOM 0 H GLN A 79 8.003 -0.899 10.276 1.00 0.00 H new ATOM 0 HA GLN A 79 9.782 -1.699 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.725 -4.064 11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.119 -3.363 10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.531 -2.267 12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.246 -2.617 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.969 -1.396 10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.760 0.351 10.297 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -20.127 9.535 19.518 1.00 0.00 P HETATM 1272 O25 PNS A 137 -21.060 8.377 20.142 1.00 0.00 O HETATM 1273 O26 PNS A 137 -19.499 10.383 20.554 1.00 0.00 O HETATM 1274 O27 PNS A 137 -21.070 10.348 18.495 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.828 11.719 18.166 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.660 12.227 16.970 1.00 0.00 C HETATM 1277 C30 PNS A 137 -23.147 11.924 17.231 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.193 11.459 15.715 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.380 13.742 16.823 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.834 14.463 17.974 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.000 14.432 15.581 1.00 0.00 C HETATM 1282 O35 PNS A 137 -22.997 13.976 15.013 1.00 0.00 O HETATM 1283 N36 PNS A 137 -21.445 15.563 15.123 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.285 16.265 15.706 1.00 0.00 C HETATM 1285 C38 PNS A 137 -20.216 17.677 15.116 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.191 18.553 15.867 1.00 0.00 C HETATM 1287 O40 PNS A 137 -19.457 18.922 17.011 1.00 0.00 O HETATM 1288 N41 PNS A 137 -18.041 18.885 15.266 1.00 0.00 N HETATM 1289 C42 PNS A 137 -17.602 18.524 13.901 1.00 0.00 C HETATM 1290 C43 PNS A 137 -16.194 19.061 13.646 1.00 0.00 C HETATM 1291 S44 PNS A 137 -16.081 20.890 13.703 1.00 0.00 S HETATM 0 H432 PNS A 137 -15.515 18.641 14.387 1.00 0.00 H new HETATM 0 H431 PNS A 137 -15.854 18.715 12.670 1.00 0.00 H new HETATM 0 H422 PNS A 137 -18.295 18.934 13.167 1.00 0.00 H new HETATM 0 H421 PNS A 137 -17.614 17.441 13.781 1.00 0.00 H new HETATM 0 H382 PNS A 137 -21.200 18.142 15.166 1.00 0.00 H new HETATM 0 H381 PNS A 137 -19.944 17.619 14.062 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.366 15.720 15.490 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.379 16.313 16.791 1.00 0.00 H new HETATM 0 H313 PNS A 137 -21.763 11.796 14.849 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.353 10.391 15.862 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.133 11.647 15.547 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.744 12.279 16.391 1.00 0.00 H new HETATM 0 H302 PNS A 137 -23.467 12.429 18.142 1.00 0.00 H new HETATM 0 H301 PNS A 137 -23.285 10.849 17.345 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.769 11.848 17.941 1.00 0.00 H new HETATM 0 H281 PNS A 137 -21.046 12.336 19.037 1.00 0.00 H new HETATM 0 H44 PNS A 137 -14.854 21.256 13.479 1.00 0.00 H new HETATM 0 H41 PNS A 137 -17.393 19.452 15.813 1.00 0.00 H new HETATM 0 H36 PNS A 137 -21.865 15.978 14.291 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.693 14.890 17.774 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.297 13.779 16.705 1.00 0.00 H new