USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 26 SER OG : rot -47:sc= -2.78! USER MOD Set 1.2: A 30 GLN : amide:sc= -2.91 K(o=-16,f=-26!) USER MOD Set 1.3: A 47 HIS : no HD1:sc= -9.25! C(o=-16!,f=-16!) USER MOD Set 1.4: A 48 THR OG1 : rot 180:sc= -0.714 USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0.846 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -117:sc= -0.687 (180deg=-4.31!) USER MOD Single : A 23 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 31 CYS SG : rot 145:sc= -4.22! USER MOD Single : A 34 ASN : amide:sc= -6.07! C(o=-6.1!,f=-8.2!) USER MOD Single : A 36 ASN : amide:sc= -6.28! C(o=-6.3!,f=-14!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0.108 (180deg=0.0721) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.322 K(o=-0.32,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.211 (180deg=-0.567) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0876 USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= -8.47! (180deg=-10.1!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -154:sc= -0.147 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -14.806 -6.868 -2.400 1.00 0.00 N ATOM 2 CA GLU A 16 -14.426 -5.915 -1.315 1.00 0.00 C ATOM 3 C GLU A 16 -12.955 -6.106 -0.935 1.00 0.00 C ATOM 4 O GLU A 16 -12.346 -7.108 -1.251 1.00 0.00 O ATOM 5 CB GLU A 16 -15.331 -6.272 -0.133 1.00 0.00 C ATOM 6 CG GLU A 16 -14.931 -7.640 0.421 1.00 0.00 C ATOM 7 CD GLU A 16 -15.846 -8.005 1.592 1.00 0.00 C ATOM 8 OE1 GLU A 16 -17.051 -7.950 1.415 1.00 0.00 O ATOM 9 OE2 GLU A 16 -15.325 -8.332 2.644 1.00 0.00 O ATOM 0 HA GLU A 16 -14.546 -4.876 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.246 -5.514 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -16.373 -6.287 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.004 -8.396 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.892 -7.621 0.750 1.00 0.00 H new ATOM 16 N GLU A 17 -12.381 -5.151 -0.256 1.00 0.00 N ATOM 17 CA GLU A 17 -10.951 -5.276 0.150 1.00 0.00 C ATOM 18 C GLU A 17 -10.066 -5.523 -1.074 1.00 0.00 C ATOM 19 O GLU A 17 -10.537 -5.909 -2.125 1.00 0.00 O ATOM 20 CB GLU A 17 -10.913 -6.482 1.088 1.00 0.00 C ATOM 21 CG GLU A 17 -11.406 -6.067 2.477 1.00 0.00 C ATOM 22 CD GLU A 17 -10.960 -7.106 3.508 1.00 0.00 C ATOM 23 OE1 GLU A 17 -11.263 -8.272 3.317 1.00 0.00 O ATOM 24 OE2 GLU A 17 -10.324 -6.717 4.475 1.00 0.00 O ATOM 0 H GLU A 17 -12.840 -4.288 0.036 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.579 -4.370 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.538 -7.283 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.898 -6.873 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.008 -5.086 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.493 -5.981 2.478 1.00 0.00 H new ATOM 31 N GLU A 18 -8.785 -5.309 -0.944 1.00 0.00 N ATOM 32 CA GLU A 18 -7.870 -5.538 -2.098 1.00 0.00 C ATOM 33 C GLU A 18 -8.308 -4.699 -3.302 1.00 0.00 C ATOM 34 O GLU A 18 -9.360 -4.914 -3.871 1.00 0.00 O ATOM 35 CB GLU A 18 -8.000 -7.028 -2.408 1.00 0.00 C ATOM 36 CG GLU A 18 -6.608 -7.660 -2.487 1.00 0.00 C ATOM 37 CD GLU A 18 -6.045 -7.837 -1.076 1.00 0.00 C ATOM 38 OE1 GLU A 18 -6.797 -8.245 -0.204 1.00 0.00 O ATOM 39 OE2 GLU A 18 -4.871 -7.563 -0.889 1.00 0.00 O ATOM 0 H GLU A 18 -8.333 -4.986 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.842 -5.252 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.590 -7.520 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.528 -7.169 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.664 -8.625 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.944 -7.029 -3.078 1.00 0.00 H new ATOM 46 N SER A 19 -7.507 -3.746 -3.698 1.00 0.00 N ATOM 47 CA SER A 19 -7.875 -2.896 -4.867 1.00 0.00 C ATOM 48 C SER A 19 -9.278 -2.310 -4.682 1.00 0.00 C ATOM 49 O SER A 19 -9.979 -2.636 -3.745 1.00 0.00 O ATOM 50 CB SER A 19 -7.846 -3.843 -6.067 1.00 0.00 C ATOM 51 OG SER A 19 -6.542 -4.396 -6.196 1.00 0.00 O ATOM 0 H SER A 19 -6.613 -3.519 -3.262 1.00 0.00 H new ATOM 0 HA SER A 19 -7.195 -2.053 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.580 -4.638 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.118 -3.306 -6.976 1.00 0.00 H new ATOM 0 HG SER A 19 -6.519 -5.005 -6.963 1.00 0.00 H new ATOM 57 N PHE A 20 -9.692 -1.448 -5.572 1.00 0.00 N ATOM 58 CA PHE A 20 -11.049 -0.840 -5.451 1.00 0.00 C ATOM 59 C PHE A 20 -11.235 -0.233 -4.057 1.00 0.00 C ATOM 60 O PHE A 20 -12.231 -0.461 -3.400 1.00 0.00 O ATOM 61 CB PHE A 20 -12.024 -2.000 -5.662 1.00 0.00 C ATOM 62 CG PHE A 20 -12.801 -1.785 -6.940 1.00 0.00 C ATOM 63 CD1 PHE A 20 -12.126 -1.682 -8.162 1.00 0.00 C ATOM 64 CD2 PHE A 20 -14.199 -1.689 -6.903 1.00 0.00 C ATOM 65 CE1 PHE A 20 -12.847 -1.482 -9.346 1.00 0.00 C ATOM 66 CE2 PHE A 20 -14.918 -1.490 -8.087 1.00 0.00 C ATOM 67 CZ PHE A 20 -14.243 -1.387 -9.310 1.00 0.00 C ATOM 0 H PHE A 20 -9.149 -1.138 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.206 -0.038 -6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.478 -2.942 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -12.708 -2.071 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.049 -1.757 -8.192 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.721 -1.769 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.325 -1.401 -10.288 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -15.995 -1.416 -8.058 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.799 -1.235 -10.223 1.00 0.00 H new ATOM 77 N GLY A 21 -10.284 0.537 -3.599 1.00 0.00 N ATOM 78 CA GLY A 21 -10.412 1.153 -2.248 1.00 0.00 C ATOM 79 C GLY A 21 -10.036 2.635 -2.316 1.00 0.00 C ATOM 80 O GLY A 21 -10.332 3.310 -3.282 1.00 0.00 O ATOM 0 H GLY A 21 -9.426 0.765 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.434 1.044 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.764 0.636 -1.540 1.00 0.00 H new ATOM 84 N PRO A 22 -9.398 3.089 -1.272 1.00 0.00 N ATOM 85 CA PRO A 22 -8.972 4.512 -1.187 1.00 0.00 C ATOM 86 C PRO A 22 -7.791 4.789 -2.124 1.00 0.00 C ATOM 87 O PRO A 22 -6.829 4.048 -2.164 1.00 0.00 O ATOM 88 CB PRO A 22 -8.546 4.665 0.269 1.00 0.00 C ATOM 89 CG PRO A 22 -8.166 3.287 0.706 1.00 0.00 C ATOM 90 CD PRO A 22 -9.016 2.327 -0.081 1.00 0.00 C ATOM 0 HA PRO A 22 -9.758 5.207 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.708 5.355 0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.358 5.063 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -7.107 3.103 0.524 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.332 3.162 1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.462 1.426 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -9.890 2.009 0.487 1.00 0.00 H new ATOM 98 N GLN A 23 -7.856 5.856 -2.876 1.00 0.00 N ATOM 99 CA GLN A 23 -6.739 6.184 -3.807 1.00 0.00 C ATOM 100 C GLN A 23 -5.646 7.011 -3.118 1.00 0.00 C ATOM 101 O GLN A 23 -4.481 6.779 -3.355 1.00 0.00 O ATOM 102 CB GLN A 23 -7.380 6.983 -4.941 1.00 0.00 C ATOM 103 CG GLN A 23 -8.316 6.073 -5.740 1.00 0.00 C ATOM 104 CD GLN A 23 -7.528 5.383 -6.855 1.00 0.00 C ATOM 105 OE1 GLN A 23 -6.744 6.011 -7.539 1.00 0.00 O ATOM 106 NE2 GLN A 23 -7.704 4.108 -7.069 1.00 0.00 N ATOM 0 H GLN A 23 -8.635 6.514 -2.885 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.248 5.278 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.936 7.828 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.609 7.392 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.765 5.328 -5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.133 6.657 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.362 3.581 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.184 3.639 -7.810 1.00 0.00 H new ATOM 115 N PRO A 24 -6.027 7.949 -2.285 1.00 0.00 N ATOM 116 CA PRO A 24 -5.004 8.774 -1.603 1.00 0.00 C ATOM 117 C PRO A 24 -4.255 7.921 -0.580 1.00 0.00 C ATOM 118 O PRO A 24 -4.239 8.204 0.601 1.00 0.00 O ATOM 119 CB PRO A 24 -5.809 9.889 -0.944 1.00 0.00 C ATOM 120 CG PRO A 24 -7.183 9.327 -0.780 1.00 0.00 C ATOM 121 CD PRO A 24 -7.392 8.326 -1.888 1.00 0.00 C ATOM 0 HA PRO A 24 -4.243 9.175 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.380 10.170 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.821 10.786 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.289 8.850 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.931 10.118 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.961 7.462 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.945 8.761 -2.721 1.00 0.00 H new ATOM 129 N ILE A 25 -3.633 6.871 -1.045 1.00 0.00 N ATOM 130 CA ILE A 25 -2.874 5.973 -0.138 1.00 0.00 C ATOM 131 C ILE A 25 -1.545 6.622 0.248 1.00 0.00 C ATOM 132 O ILE A 25 -0.854 6.173 1.139 1.00 0.00 O ATOM 133 CB ILE A 25 -2.639 4.711 -0.965 1.00 0.00 C ATOM 134 CG1 ILE A 25 -3.981 4.027 -1.244 1.00 0.00 C ATOM 135 CG2 ILE A 25 -1.730 3.757 -0.194 1.00 0.00 C ATOM 136 CD1 ILE A 25 -4.643 3.634 0.079 1.00 0.00 C ATOM 0 H ILE A 25 -3.621 6.597 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.403 5.763 0.792 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.164 4.979 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.633 4.698 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.828 3.143 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.563 2.856 -0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.775 4.244 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.202 3.488 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.598 3.148 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.993 2.947 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.811 4.527 0.681 1.00 0.00 H new ATOM 148 N SER A 26 -1.184 7.676 -0.425 1.00 0.00 N ATOM 149 CA SER A 26 0.104 8.359 -0.111 1.00 0.00 C ATOM 150 C SER A 26 0.224 8.646 1.391 1.00 0.00 C ATOM 151 O SER A 26 0.945 7.981 2.107 1.00 0.00 O ATOM 152 CB SER A 26 0.051 9.677 -0.883 1.00 0.00 C ATOM 153 OG SER A 26 0.956 9.620 -1.978 1.00 0.00 O ATOM 0 H SER A 26 -1.725 8.097 -1.181 1.00 0.00 H new ATOM 0 HA SER A 26 0.959 7.742 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.961 9.860 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.310 10.507 -0.226 1.00 0.00 H new ATOM 0 HG SER A 26 1.821 9.277 -1.670 1.00 0.00 H new ATOM 159 N ARG A 27 -0.466 9.652 1.855 1.00 0.00 N ATOM 160 CA ARG A 27 -0.401 10.038 3.298 1.00 0.00 C ATOM 161 C ARG A 27 -0.219 8.825 4.223 1.00 0.00 C ATOM 162 O ARG A 27 0.349 8.937 5.290 1.00 0.00 O ATOM 163 CB ARG A 27 -1.747 10.709 3.574 1.00 0.00 C ATOM 164 CG ARG A 27 -1.902 11.939 2.676 1.00 0.00 C ATOM 165 CD ARG A 27 -2.075 13.185 3.546 1.00 0.00 C ATOM 166 NE ARG A 27 -0.778 13.911 3.442 1.00 0.00 N ATOM 167 CZ ARG A 27 -0.619 15.059 4.043 1.00 0.00 C ATOM 168 NH1 ARG A 27 -1.592 15.573 4.747 1.00 0.00 N ATOM 169 NH2 ARG A 27 0.516 15.696 3.943 1.00 0.00 N ATOM 0 H ARG A 27 -1.083 10.233 1.288 1.00 0.00 H new ATOM 0 HA ARG A 27 0.455 10.685 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.560 10.006 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.811 11.001 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.027 12.048 2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.764 11.818 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.902 13.801 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.296 12.917 4.579 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.013 13.510 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.480 15.077 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.464 16.470 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.278 15.297 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.641 16.593 4.412 1.00 0.00 H new ATOM 183 N LEU A 28 -0.716 7.678 3.850 1.00 0.00 N ATOM 184 CA LEU A 28 -0.584 6.493 4.752 1.00 0.00 C ATOM 185 C LEU A 28 0.869 6.018 4.878 1.00 0.00 C ATOM 186 O LEU A 28 1.525 6.288 5.865 1.00 0.00 O ATOM 187 CB LEU A 28 -1.457 5.419 4.116 1.00 0.00 C ATOM 188 CG LEU A 28 -2.896 5.608 4.597 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.836 5.694 3.393 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.299 4.428 5.485 1.00 0.00 C ATOM 0 H LEU A 28 -1.203 7.508 2.970 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.894 6.734 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.410 5.488 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.095 4.428 4.388 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.966 6.532 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.860 5.829 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.550 6.540 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.768 4.774 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.325 4.564 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.226 3.502 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.633 4.377 6.346 1.00 0.00 H new ATOM 202 N GLU A 29 1.385 5.309 3.909 1.00 0.00 N ATOM 203 CA GLU A 29 2.799 4.833 4.031 1.00 0.00 C ATOM 204 C GLU A 29 3.759 5.978 3.712 1.00 0.00 C ATOM 205 O GLU A 29 4.875 6.017 4.191 1.00 0.00 O ATOM 206 CB GLU A 29 2.950 3.696 3.008 1.00 0.00 C ATOM 207 CG GLU A 29 3.056 4.253 1.584 1.00 0.00 C ATOM 208 CD GLU A 29 1.655 4.494 1.024 1.00 0.00 C ATOM 209 OE1 GLU A 29 0.899 3.540 0.950 1.00 0.00 O ATOM 210 OE2 GLU A 29 1.363 5.627 0.678 1.00 0.00 O ATOM 0 H GLU A 29 0.901 5.041 3.052 1.00 0.00 H new ATOM 0 HA GLU A 29 3.029 4.488 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.838 3.108 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.095 3.023 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.623 5.184 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.598 3.553 0.948 1.00 0.00 H new ATOM 217 N GLN A 30 3.334 6.908 2.900 1.00 0.00 N ATOM 218 CA GLN A 30 4.229 8.044 2.550 1.00 0.00 C ATOM 219 C GLN A 30 4.578 8.835 3.810 1.00 0.00 C ATOM 220 O GLN A 30 5.680 9.321 3.965 1.00 0.00 O ATOM 221 CB GLN A 30 3.430 8.912 1.578 1.00 0.00 C ATOM 222 CG GLN A 30 4.305 10.073 1.100 1.00 0.00 C ATOM 223 CD GLN A 30 3.910 10.455 -0.327 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.001 9.882 -0.891 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.562 11.408 -0.939 1.00 0.00 N ATOM 0 H GLN A 30 2.411 6.929 2.467 1.00 0.00 H new ATOM 0 HA GLN A 30 5.166 7.707 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.100 8.316 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.534 9.294 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.186 10.930 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.356 9.788 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.326 11.889 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.307 11.670 -1.891 1.00 0.00 H new ATOM 234 N CYS A 31 3.648 8.959 4.718 1.00 0.00 N ATOM 235 CA CYS A 31 3.935 9.710 5.970 1.00 0.00 C ATOM 236 C CYS A 31 4.729 8.823 6.926 1.00 0.00 C ATOM 237 O CYS A 31 5.231 9.271 7.938 1.00 0.00 O ATOM 238 CB CYS A 31 2.566 10.044 6.558 1.00 0.00 C ATOM 239 SG CYS A 31 1.749 11.280 5.520 1.00 0.00 S ATOM 0 H CYS A 31 2.706 8.574 4.646 1.00 0.00 H new ATOM 0 HA CYS A 31 4.526 10.609 5.794 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.955 9.143 6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.677 10.423 7.574 1.00 0.00 H new ATOM 0 HG CYS A 31 0.469 11.056 5.505 1.00 0.00 H new ATOM 245 N GLY A 32 4.856 7.563 6.604 1.00 0.00 N ATOM 246 CA GLY A 32 5.627 6.644 7.482 1.00 0.00 C ATOM 247 C GLY A 32 4.680 5.669 8.183 1.00 0.00 C ATOM 248 O GLY A 32 4.560 5.676 9.392 1.00 0.00 O ATOM 0 H GLY A 32 4.458 7.133 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.358 6.092 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.184 7.218 8.223 1.00 0.00 H new ATOM 252 N ILE A 33 4.022 4.809 7.448 1.00 0.00 N ATOM 253 CA ILE A 33 3.120 3.833 8.103 1.00 0.00 C ATOM 254 C ILE A 33 3.974 2.666 8.610 1.00 0.00 C ATOM 255 O ILE A 33 4.988 2.866 9.250 1.00 0.00 O ATOM 256 CB ILE A 33 2.092 3.415 7.018 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.864 2.796 7.696 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.689 2.409 6.021 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.331 2.852 6.743 1.00 0.00 C ATOM 0 H ILE A 33 4.074 4.745 6.431 1.00 0.00 H new ATOM 0 HA ILE A 33 2.584 4.229 8.965 1.00 0.00 H new ATOM 0 HB ILE A 33 1.809 4.308 6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.072 1.763 7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.634 3.334 8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.937 2.143 5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.548 2.857 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.006 1.513 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.203 2.412 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.544 3.890 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.099 2.294 5.836 1.00 0.00 H new ATOM 271 N ASN A 34 3.596 1.464 8.332 1.00 0.00 N ATOM 272 CA ASN A 34 4.403 0.301 8.794 1.00 0.00 C ATOM 273 C ASN A 34 5.639 0.144 7.899 1.00 0.00 C ATOM 274 O ASN A 34 6.157 1.110 7.375 1.00 0.00 O ATOM 275 CB ASN A 34 3.467 -0.903 8.662 1.00 0.00 C ATOM 276 CG ASN A 34 2.285 -0.732 9.617 1.00 0.00 C ATOM 277 OD1 ASN A 34 1.228 -0.280 9.222 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.420 -1.074 10.869 1.00 0.00 N ATOM 0 H ASN A 34 2.758 1.226 7.801 1.00 0.00 H new ATOM 0 HA ASN A 34 4.766 0.413 9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.110 -0.990 7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.005 -1.823 8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.639 -0.962 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.307 -1.453 11.201 1.00 0.00 H new ATOM 285 N ALA A 35 6.115 -1.058 7.712 1.00 0.00 N ATOM 286 CA ALA A 35 7.313 -1.257 6.843 1.00 0.00 C ATOM 287 C ALA A 35 7.069 -0.657 5.462 1.00 0.00 C ATOM 288 O ALA A 35 7.985 -0.461 4.688 1.00 0.00 O ATOM 289 CB ALA A 35 7.472 -2.771 6.719 1.00 0.00 C ATOM 0 H ALA A 35 5.728 -1.908 8.121 1.00 0.00 H new ATOM 0 HA ALA A 35 8.198 -0.778 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.335 -2.996 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.619 -3.204 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.575 -3.195 6.267 1.00 0.00 H new ATOM 295 N ASN A 36 5.837 -0.396 5.133 1.00 0.00 N ATOM 296 CA ASN A 36 5.534 0.155 3.786 1.00 0.00 C ATOM 297 C ASN A 36 6.414 1.353 3.457 1.00 0.00 C ATOM 298 O ASN A 36 7.232 1.283 2.564 1.00 0.00 O ATOM 299 CB ASN A 36 4.074 0.605 3.802 1.00 0.00 C ATOM 300 CG ASN A 36 3.181 -0.459 4.455 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.610 -1.196 5.319 1.00 0.00 O ATOM 302 ND2 ASN A 36 1.937 -0.564 4.074 1.00 0.00 N ATOM 0 H ASN A 36 5.028 -0.540 5.737 1.00 0.00 H new ATOM 0 HA ASN A 36 5.721 -0.610 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.985 1.545 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.736 0.794 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.330 -1.263 4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.572 0.053 3.348 1.00 0.00 H new ATOM 309 N ASP A 37 6.218 2.457 4.137 1.00 0.00 N ATOM 310 CA ASP A 37 7.011 3.688 3.839 1.00 0.00 C ATOM 311 C ASP A 37 8.362 3.325 3.224 1.00 0.00 C ATOM 312 O ASP A 37 8.551 3.390 2.023 1.00 0.00 O ATOM 313 CB ASP A 37 7.209 4.361 5.195 1.00 0.00 C ATOM 314 CG ASP A 37 8.276 5.450 5.073 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.225 6.198 4.109 1.00 0.00 O ATOM 316 OD2 ASP A 37 9.125 5.521 5.947 1.00 0.00 O ATOM 0 H ASP A 37 5.538 2.557 4.890 1.00 0.00 H new ATOM 0 HA ASP A 37 6.506 4.336 3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.270 4.794 5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.511 3.623 5.939 1.00 0.00 H new ATOM 321 N VAL A 38 9.283 2.912 4.036 1.00 0.00 N ATOM 322 CA VAL A 38 10.620 2.520 3.519 1.00 0.00 C ATOM 323 C VAL A 38 10.502 1.685 2.238 1.00 0.00 C ATOM 324 O VAL A 38 11.019 2.047 1.201 1.00 0.00 O ATOM 325 CB VAL A 38 11.234 1.668 4.631 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.698 1.373 4.296 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.159 2.425 5.959 1.00 0.00 C ATOM 0 H VAL A 38 9.169 2.827 5.046 1.00 0.00 H new ATOM 0 HA VAL A 38 11.220 3.395 3.269 1.00 0.00 H new ATOM 0 HB VAL A 38 10.682 0.732 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.137 0.766 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.753 0.832 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.248 2.310 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.597 1.816 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.710 3.362 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.117 2.637 6.199 1.00 0.00 H new ATOM 337 N LYS A 39 9.861 0.552 2.309 1.00 0.00 N ATOM 338 CA LYS A 39 9.773 -0.317 1.101 1.00 0.00 C ATOM 339 C LYS A 39 8.633 0.074 0.157 1.00 0.00 C ATOM 340 O LYS A 39 8.875 0.550 -0.931 1.00 0.00 O ATOM 341 CB LYS A 39 9.541 -1.723 1.652 1.00 0.00 C ATOM 342 CG LYS A 39 10.843 -2.261 2.249 1.00 0.00 C ATOM 343 CD LYS A 39 10.889 -1.947 3.745 1.00 0.00 C ATOM 344 CE LYS A 39 11.441 -3.155 4.504 1.00 0.00 C ATOM 345 NZ LYS A 39 12.158 -2.578 5.673 1.00 0.00 N ATOM 0 H LYS A 39 9.398 0.192 3.143 1.00 0.00 H new ATOM 0 HA LYS A 39 10.679 -0.228 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.761 -1.702 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.193 -2.383 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.910 -3.337 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.699 -1.811 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.516 -1.074 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.890 -1.702 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.639 -3.822 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.114 -3.741 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.566 -3.346 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.919 -1.953 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.491 -2.031 6.254 1.00 0.00 H new ATOM 359 N LYS A 40 7.405 -0.162 0.554 1.00 0.00 N ATOM 360 CA LYS A 40 6.233 0.135 -0.332 1.00 0.00 C ATOM 361 C LYS A 40 6.534 1.255 -1.313 1.00 0.00 C ATOM 362 O LYS A 40 6.475 1.074 -2.507 1.00 0.00 O ATOM 363 CB LYS A 40 5.103 0.570 0.589 1.00 0.00 C ATOM 364 CG LYS A 40 3.947 -0.417 0.468 1.00 0.00 C ATOM 365 CD LYS A 40 2.991 0.042 -0.635 1.00 0.00 C ATOM 366 CE LYS A 40 2.420 1.416 -0.283 1.00 0.00 C ATOM 367 NZ LYS A 40 1.312 1.629 -1.256 1.00 0.00 N ATOM 0 H LYS A 40 7.162 -0.552 1.464 1.00 0.00 H new ATOM 0 HA LYS A 40 5.979 -0.747 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.454 0.612 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.769 1.573 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.328 -1.413 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.416 -0.488 1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.517 0.089 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.182 -0.679 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.055 1.441 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.179 2.194 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.782 2.486 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.706 1.741 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.673 0.809 -1.239 1.00 0.00 H new ATOM 381 N LEU A 41 6.834 2.420 -0.823 1.00 0.00 N ATOM 382 CA LEU A 41 7.100 3.548 -1.755 1.00 0.00 C ATOM 383 C LEU A 41 8.502 3.471 -2.368 1.00 0.00 C ATOM 384 O LEU A 41 8.707 3.900 -3.487 1.00 0.00 O ATOM 385 CB LEU A 41 6.939 4.807 -0.908 1.00 0.00 C ATOM 386 CG LEU A 41 8.211 5.059 -0.099 1.00 0.00 C ATOM 387 CD1 LEU A 41 9.131 6.010 -0.867 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.834 5.681 1.243 1.00 0.00 C ATOM 0 H LEU A 41 6.907 2.641 0.170 1.00 0.00 H new ATOM 0 HA LEU A 41 6.416 3.530 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.731 5.663 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.087 4.697 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 41 8.732 4.116 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.037 6.187 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.395 5.565 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.617 6.956 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.737 5.864 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.314 6.624 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.181 5.000 1.789 1.00 0.00 H new ATOM 400 N GLU A 42 9.479 2.950 -1.673 1.00 0.00 N ATOM 401 CA GLU A 42 10.829 2.902 -2.293 1.00 0.00 C ATOM 402 C GLU A 42 10.883 1.821 -3.370 1.00 0.00 C ATOM 403 O GLU A 42 11.748 1.833 -4.223 1.00 0.00 O ATOM 404 CB GLU A 42 11.804 2.598 -1.159 1.00 0.00 C ATOM 405 CG GLU A 42 13.241 2.741 -1.668 1.00 0.00 C ATOM 406 CD GLU A 42 13.809 4.091 -1.225 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.182 4.732 -0.397 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.860 4.461 -1.722 1.00 0.00 O ATOM 0 H GLU A 42 9.403 2.567 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 42 11.081 3.843 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.633 3.279 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.639 1.588 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.858 1.930 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.262 2.665 -2.755 1.00 0.00 H new ATOM 415 N GLU A 43 9.961 0.899 -3.361 1.00 0.00 N ATOM 416 CA GLU A 43 9.984 -0.148 -4.421 1.00 0.00 C ATOM 417 C GLU A 43 9.690 0.513 -5.770 1.00 0.00 C ATOM 418 O GLU A 43 9.946 -0.043 -6.820 1.00 0.00 O ATOM 419 CB GLU A 43 8.878 -1.151 -4.068 1.00 0.00 C ATOM 420 CG GLU A 43 8.801 -1.368 -2.560 1.00 0.00 C ATOM 421 CD GLU A 43 8.647 -2.864 -2.269 1.00 0.00 C ATOM 422 OE1 GLU A 43 9.610 -3.586 -2.454 1.00 0.00 O ATOM 423 OE2 GLU A 43 7.565 -3.260 -1.868 1.00 0.00 O ATOM 0 H GLU A 43 9.206 0.824 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 43 10.950 -0.648 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.919 -0.786 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.070 -2.101 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.701 -0.983 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.957 -0.817 -2.145 1.00 0.00 H new ATOM 430 N ALA A 44 9.152 1.705 -5.736 1.00 0.00 N ATOM 431 CA ALA A 44 8.827 2.437 -6.993 1.00 0.00 C ATOM 432 C ALA A 44 8.127 3.751 -6.651 1.00 0.00 C ATOM 433 O ALA A 44 8.377 4.780 -7.246 1.00 0.00 O ATOM 434 CB ALA A 44 7.862 1.530 -7.751 1.00 0.00 C ATOM 0 H ALA A 44 8.922 2.207 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 44 9.719 2.667 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.578 2.005 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.347 0.576 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.971 1.360 -7.146 1.00 0.00 H new ATOM 440 N GLY A 45 7.243 3.713 -5.694 1.00 0.00 N ATOM 441 CA GLY A 45 6.505 4.943 -5.299 1.00 0.00 C ATOM 442 C GLY A 45 5.004 4.640 -5.260 1.00 0.00 C ATOM 443 O GLY A 45 4.183 5.481 -5.571 1.00 0.00 O ATOM 0 H GLY A 45 6.999 2.876 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.844 5.287 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.708 5.746 -6.007 1.00 0.00 H new ATOM 447 N PHE A 46 4.637 3.439 -4.888 1.00 0.00 N ATOM 448 CA PHE A 46 3.175 3.087 -4.840 1.00 0.00 C ATOM 449 C PHE A 46 2.470 3.831 -3.699 1.00 0.00 C ATOM 450 O PHE A 46 1.277 3.698 -3.509 1.00 0.00 O ATOM 451 CB PHE A 46 3.112 1.581 -4.576 1.00 0.00 C ATOM 452 CG PHE A 46 3.954 0.852 -5.585 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.300 0.635 -5.315 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.399 0.403 -6.787 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.100 -0.026 -6.232 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.203 -0.268 -7.717 1.00 0.00 C ATOM 457 CZ PHE A 46 5.558 -0.483 -7.437 1.00 0.00 C ATOM 0 H PHE A 46 5.275 2.691 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 46 2.680 3.366 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.466 1.364 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.080 1.235 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.724 0.984 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.354 0.573 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.145 -0.189 -6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.779 -0.618 -8.647 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.183 -1.000 -8.150 1.00 0.00 H new ATOM 467 N HIS A 47 3.189 4.596 -2.933 1.00 0.00 N ATOM 468 CA HIS A 47 2.546 5.323 -1.802 1.00 0.00 C ATOM 469 C HIS A 47 1.774 6.541 -2.311 1.00 0.00 C ATOM 470 O HIS A 47 2.226 7.665 -2.215 1.00 0.00 O ATOM 471 CB HIS A 47 3.698 5.747 -0.889 1.00 0.00 C ATOM 472 CG HIS A 47 4.530 6.803 -1.568 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.145 7.825 -0.862 1.00 0.00 N ATOM 474 CD2 HIS A 47 4.854 7.011 -2.886 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.801 8.594 -1.750 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.656 8.144 -2.998 1.00 0.00 N ATOM 0 H HIS A 47 4.192 4.751 -3.038 1.00 0.00 H new ATOM 0 HA HIS A 47 1.823 4.700 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.305 6.131 0.052 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.318 4.884 -0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.535 6.390 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.375 9.469 -1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.048 8.544 -3.850 1.00 0.00 H new ATOM 484 N THR A 48 0.605 6.327 -2.844 1.00 0.00 N ATOM 485 CA THR A 48 -0.198 7.483 -3.351 1.00 0.00 C ATOM 486 C THR A 48 -1.491 7.030 -4.041 1.00 0.00 C ATOM 487 O THR A 48 -2.483 7.730 -4.017 1.00 0.00 O ATOM 488 CB THR A 48 0.714 8.190 -4.356 1.00 0.00 C ATOM 489 OG1 THR A 48 -0.060 9.064 -5.163 1.00 0.00 O ATOM 490 CG2 THR A 48 1.409 7.155 -5.243 1.00 0.00 C ATOM 0 H THR A 48 0.170 5.411 -2.952 1.00 0.00 H new ATOM 0 HA THR A 48 -0.508 8.131 -2.531 1.00 0.00 H new ATOM 0 HB THR A 48 1.468 8.763 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.524 9.518 -5.806 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.057 7.664 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.006 6.487 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.659 6.576 -5.782 1.00 0.00 H new ATOM 498 N VAL A 49 -1.490 5.881 -4.657 1.00 0.00 N ATOM 499 CA VAL A 49 -2.719 5.393 -5.360 1.00 0.00 C ATOM 500 C VAL A 49 -2.507 3.960 -5.845 1.00 0.00 C ATOM 501 O VAL A 49 -3.380 3.120 -5.747 1.00 0.00 O ATOM 502 CB VAL A 49 -2.915 6.314 -6.577 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.777 7.518 -6.196 1.00 0.00 C ATOM 504 CG2 VAL A 49 -1.557 6.801 -7.098 1.00 0.00 C ATOM 0 H VAL A 49 -0.688 5.252 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.583 5.407 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.417 5.747 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.908 8.162 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.751 7.173 -5.850 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.287 8.079 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.710 7.452 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.043 7.354 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.952 5.944 -7.394 1.00 0.00 H new ATOM 514 N GLU A 50 -1.352 3.683 -6.385 1.00 0.00 N ATOM 515 CA GLU A 50 -1.070 2.312 -6.899 1.00 0.00 C ATOM 516 C GLU A 50 -1.574 1.248 -5.920 1.00 0.00 C ATOM 517 O GLU A 50 -1.873 0.135 -6.303 1.00 0.00 O ATOM 518 CB GLU A 50 0.450 2.241 -7.024 1.00 0.00 C ATOM 519 CG GLU A 50 0.953 3.406 -7.882 1.00 0.00 C ATOM 520 CD GLU A 50 2.265 3.009 -8.563 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.215 2.199 -9.476 1.00 0.00 O ATOM 522 OE2 GLU A 50 3.297 3.522 -8.164 1.00 0.00 O ATOM 0 H GLU A 50 -0.588 4.350 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.572 2.125 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.908 2.281 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.744 1.292 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.207 3.668 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.106 4.289 -7.262 1.00 0.00 H new ATOM 529 N ALA A 51 -1.662 1.574 -4.661 1.00 0.00 N ATOM 530 CA ALA A 51 -2.139 0.571 -3.666 1.00 0.00 C ATOM 531 C ALA A 51 -3.421 -0.108 -4.161 1.00 0.00 C ATOM 532 O ALA A 51 -3.734 -1.216 -3.773 1.00 0.00 O ATOM 533 CB ALA A 51 -2.411 1.373 -2.395 1.00 0.00 C ATOM 0 H ALA A 51 -1.425 2.489 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.410 -0.222 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.767 0.704 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.492 1.858 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.169 2.130 -2.598 1.00 0.00 H new ATOM 539 N VAL A 52 -4.166 0.544 -5.013 1.00 0.00 N ATOM 540 CA VAL A 52 -5.424 -0.078 -5.522 1.00 0.00 C ATOM 541 C VAL A 52 -5.570 0.163 -7.028 1.00 0.00 C ATOM 542 O VAL A 52 -5.253 1.221 -7.532 1.00 0.00 O ATOM 543 CB VAL A 52 -6.551 0.620 -4.758 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.417 0.335 -3.262 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.471 2.129 -4.996 1.00 0.00 C ATOM 0 H VAL A 52 -3.960 1.474 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.435 -1.158 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.511 0.244 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.222 0.834 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.477 -0.740 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.456 0.707 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.274 2.626 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.509 2.502 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.573 2.335 -6.061 1.00 0.00 H new ATOM 555 N ALA A 53 -6.052 -0.815 -7.747 1.00 0.00 N ATOM 556 CA ALA A 53 -6.229 -0.651 -9.219 1.00 0.00 C ATOM 557 C ALA A 53 -4.941 -0.129 -9.863 1.00 0.00 C ATOM 558 O ALA A 53 -4.815 1.043 -10.158 1.00 0.00 O ATOM 559 CB ALA A 53 -7.358 0.369 -9.371 1.00 0.00 C ATOM 0 H ALA A 53 -6.332 -1.723 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.462 -1.596 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.549 0.545 -10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.262 -0.015 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.069 1.306 -8.894 1.00 0.00 H new ATOM 565 N TYR A 54 -3.989 -0.990 -10.089 1.00 0.00 N ATOM 566 CA TYR A 54 -2.712 -0.547 -10.718 1.00 0.00 C ATOM 567 C TYR A 54 -1.783 -1.746 -10.917 1.00 0.00 C ATOM 568 O TYR A 54 -1.593 -2.224 -12.018 1.00 0.00 O ATOM 569 CB TYR A 54 -2.106 0.444 -9.724 1.00 0.00 C ATOM 570 CG TYR A 54 -1.941 1.789 -10.392 1.00 0.00 C ATOM 571 CD1 TYR A 54 -0.879 2.007 -11.277 1.00 0.00 C ATOM 572 CD2 TYR A 54 -2.852 2.818 -10.127 1.00 0.00 C ATOM 573 CE1 TYR A 54 -0.727 3.253 -11.897 1.00 0.00 C ATOM 574 CE2 TYR A 54 -2.701 4.066 -10.747 1.00 0.00 C ATOM 575 CZ TYR A 54 -1.638 4.282 -11.631 1.00 0.00 C ATOM 576 OH TYR A 54 -1.488 5.510 -12.243 1.00 0.00 O ATOM 0 H TYR A 54 -4.039 -1.984 -9.865 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.865 -0.097 -11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.749 0.537 -8.849 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.141 0.079 -9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.176 1.213 -11.482 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.672 2.650 -9.444 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.093 3.420 -12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.404 4.860 -10.543 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.205 6.111 -11.951 1.00 0.00 H new ATOM 586 N ALA A 55 -1.209 -2.242 -9.856 1.00 0.00 N ATOM 587 CA ALA A 55 -0.300 -3.417 -9.977 1.00 0.00 C ATOM 588 C ALA A 55 -0.640 -4.442 -8.897 1.00 0.00 C ATOM 589 O ALA A 55 -1.109 -4.089 -7.833 1.00 0.00 O ATOM 590 CB ALA A 55 1.111 -2.861 -9.760 1.00 0.00 C ATOM 0 H ALA A 55 -1.330 -1.884 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.392 -3.915 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.837 -3.671 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.327 -2.109 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.175 -2.407 -8.771 1.00 0.00 H new ATOM 596 N PRO A 56 -0.381 -5.681 -9.203 1.00 0.00 N ATOM 597 CA PRO A 56 -0.654 -6.766 -8.236 1.00 0.00 C ATOM 598 C PRO A 56 0.292 -6.631 -7.045 1.00 0.00 C ATOM 599 O PRO A 56 1.481 -6.856 -7.149 1.00 0.00 O ATOM 600 CB PRO A 56 -0.399 -8.040 -9.040 1.00 0.00 C ATOM 601 CG PRO A 56 0.523 -7.620 -10.139 1.00 0.00 C ATOM 602 CD PRO A 56 0.190 -6.184 -10.455 1.00 0.00 C ATOM 0 HA PRO A 56 -1.662 -6.754 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.052 -8.815 -8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.328 -8.449 -9.438 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.564 -7.717 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.391 -8.251 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.077 -5.621 -10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.520 -6.109 -11.279 1.00 0.00 H new ATOM 610 N LYS A 57 -0.237 -6.232 -5.920 1.00 0.00 N ATOM 611 CA LYS A 57 0.602 -6.040 -4.705 1.00 0.00 C ATOM 612 C LYS A 57 1.697 -7.104 -4.615 1.00 0.00 C ATOM 613 O LYS A 57 2.803 -6.823 -4.208 1.00 0.00 O ATOM 614 CB LYS A 57 -0.373 -6.174 -3.536 1.00 0.00 C ATOM 615 CG LYS A 57 -1.164 -4.873 -3.382 1.00 0.00 C ATOM 616 CD LYS A 57 -2.652 -5.195 -3.226 1.00 0.00 C ATOM 617 CE LYS A 57 -3.242 -5.570 -4.589 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.722 -5.543 -4.398 1.00 0.00 N ATOM 0 H LYS A 57 -1.228 -6.029 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 57 1.114 -5.078 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.053 -7.008 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.171 -6.392 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.808 -4.319 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.008 -4.235 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.785 -6.017 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.179 -4.335 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.932 -4.864 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.904 -6.557 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.110 -6.495 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.941 -5.234 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.148 -4.881 -5.078 1.00 0.00 H new ATOM 632 N LYS A 58 1.402 -8.319 -4.985 1.00 0.00 N ATOM 633 CA LYS A 58 2.437 -9.393 -4.907 1.00 0.00 C ATOM 634 C LYS A 58 3.614 -9.074 -5.832 1.00 0.00 C ATOM 635 O LYS A 58 4.738 -9.470 -5.590 1.00 0.00 O ATOM 636 CB LYS A 58 1.727 -10.665 -5.368 1.00 0.00 C ATOM 637 CG LYS A 58 1.104 -10.447 -6.749 1.00 0.00 C ATOM 638 CD LYS A 58 1.220 -11.735 -7.568 1.00 0.00 C ATOM 639 CE LYS A 58 -0.173 -12.325 -7.803 1.00 0.00 C ATOM 640 NZ LYS A 58 -0.212 -13.564 -6.980 1.00 0.00 N ATOM 0 H LYS A 58 0.492 -8.616 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 58 2.845 -9.493 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.435 -11.493 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.954 -10.940 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.057 -10.161 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.609 -9.629 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.703 -11.528 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.847 -12.456 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.953 -11.626 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.335 -12.547 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.138 -14.025 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.537 -14.213 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.063 -13.321 -5.980 1.00 0.00 H new ATOM 654 N GLU A 59 3.360 -8.353 -6.882 1.00 0.00 N ATOM 655 CA GLU A 59 4.456 -7.998 -7.830 1.00 0.00 C ATOM 656 C GLU A 59 5.246 -6.819 -7.277 1.00 0.00 C ATOM 657 O GLU A 59 6.460 -6.833 -7.237 1.00 0.00 O ATOM 658 CB GLU A 59 3.760 -7.611 -9.134 1.00 0.00 C ATOM 659 CG GLU A 59 4.778 -6.979 -10.086 1.00 0.00 C ATOM 660 CD GLU A 59 5.843 -8.014 -10.456 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.503 -9.183 -10.537 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.981 -7.620 -10.653 1.00 0.00 O ATOM 0 H GLU A 59 2.439 -7.991 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 59 5.155 -8.820 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.312 -8.491 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.950 -6.910 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.277 -6.620 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.245 -6.114 -9.614 1.00 0.00 H new ATOM 669 N LEU A 60 4.567 -5.802 -6.833 1.00 0.00 N ATOM 670 CA LEU A 60 5.287 -4.640 -6.264 1.00 0.00 C ATOM 671 C LEU A 60 6.142 -5.134 -5.091 1.00 0.00 C ATOM 672 O LEU A 60 7.351 -5.023 -5.094 1.00 0.00 O ATOM 673 CB LEU A 60 4.178 -3.663 -5.818 1.00 0.00 C ATOM 674 CG LEU A 60 4.407 -3.147 -4.386 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.806 -2.526 -4.256 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.357 -2.080 -4.063 1.00 0.00 C ATOM 0 H LEU A 60 3.550 -5.727 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 60 5.962 -4.145 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.140 -2.819 -6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.211 -4.163 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 60 4.324 -3.984 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.951 -2.166 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.561 -3.278 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.900 -1.692 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.514 -1.710 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.448 -1.254 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.361 -2.515 -4.140 1.00 0.00 H new ATOM 688 N ILE A 61 5.511 -5.678 -4.087 1.00 0.00 N ATOM 689 CA ILE A 61 6.265 -6.178 -2.908 1.00 0.00 C ATOM 690 C ILE A 61 7.421 -7.045 -3.369 1.00 0.00 C ATOM 691 O ILE A 61 8.457 -7.108 -2.737 1.00 0.00 O ATOM 692 CB ILE A 61 5.262 -7.007 -2.135 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.677 -8.072 -3.070 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.154 -6.090 -1.618 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.486 -9.365 -2.940 1.00 0.00 C ATOM 0 H ILE A 61 4.499 -5.797 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 61 6.684 -5.373 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 61 5.742 -7.497 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.633 -8.257 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.700 -7.718 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.426 -6.678 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.585 -5.331 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.660 -5.606 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.070 -10.123 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.524 -9.174 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.440 -9.721 -1.911 1.00 0.00 H new ATOM 707 N ASN A 62 7.261 -7.701 -4.481 1.00 0.00 N ATOM 708 CA ASN A 62 8.364 -8.543 -4.993 1.00 0.00 C ATOM 709 C ASN A 62 9.576 -7.659 -5.301 1.00 0.00 C ATOM 710 O ASN A 62 10.634 -8.148 -5.641 1.00 0.00 O ATOM 711 CB ASN A 62 7.823 -9.190 -6.267 1.00 0.00 C ATOM 712 CG ASN A 62 7.630 -10.690 -6.035 1.00 0.00 C ATOM 713 OD1 ASN A 62 7.699 -11.157 -4.916 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.386 -11.469 -7.053 1.00 0.00 N ATOM 0 H ASN A 62 6.417 -7.689 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 62 8.686 -9.297 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.876 -8.730 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.514 -9.025 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.253 -12.470 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.328 -11.077 -7.993 1.00 0.00 H new ATOM 721 N ILE A 63 9.443 -6.355 -5.173 1.00 0.00 N ATOM 722 CA ILE A 63 10.613 -5.481 -5.452 1.00 0.00 C ATOM 723 C ILE A 63 11.705 -5.770 -4.428 1.00 0.00 C ATOM 724 O ILE A 63 12.798 -6.191 -4.754 1.00 0.00 O ATOM 725 CB ILE A 63 10.075 -4.049 -5.330 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.573 -3.582 -6.703 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.180 -3.105 -4.849 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.291 -2.762 -6.534 1.00 0.00 C ATOM 0 H ILE A 63 8.589 -5.874 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 63 11.054 -5.644 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 63 9.259 -4.036 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.338 -2.981 -7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.383 -4.443 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.784 -2.093 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.540 -3.434 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.004 -3.116 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.938 -2.433 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.526 -3.377 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.495 -1.892 -5.910 1.00 0.00 H new ATOM 740 N LYS A 64 11.398 -5.555 -3.194 1.00 0.00 N ATOM 741 CA LYS A 64 12.386 -5.819 -2.109 1.00 0.00 C ATOM 742 C LYS A 64 12.254 -7.265 -1.630 1.00 0.00 C ATOM 743 O LYS A 64 13.231 -7.970 -1.472 1.00 0.00 O ATOM 744 CB LYS A 64 12.018 -4.846 -0.987 1.00 0.00 C ATOM 745 CG LYS A 64 13.283 -4.150 -0.481 1.00 0.00 C ATOM 746 CD LYS A 64 13.918 -4.987 0.630 1.00 0.00 C ATOM 747 CE LYS A 64 13.166 -4.743 1.939 1.00 0.00 C ATOM 748 NZ LYS A 64 14.194 -4.880 3.009 1.00 0.00 N ATOM 0 H LYS A 64 10.495 -5.203 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 64 13.415 -5.681 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.304 -4.107 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.533 -5.382 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.990 -4.018 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.039 -3.156 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.884 -6.045 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.969 -4.721 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.711 -3.752 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.361 -5.465 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.737 -5.181 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.899 -5.590 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.665 -3.965 3.157 1.00 0.00 H new ATOM 762 N GLY A 65 11.049 -7.714 -1.403 1.00 0.00 N ATOM 763 CA GLY A 65 10.852 -9.117 -0.942 1.00 0.00 C ATOM 764 C GLY A 65 9.701 -9.186 0.067 1.00 0.00 C ATOM 765 O GLY A 65 9.722 -9.986 0.983 1.00 0.00 O ATOM 0 H GLY A 65 10.194 -7.170 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.637 -9.761 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.769 -9.489 -0.485 1.00 0.00 H new ATOM 769 N ILE A 66 8.698 -8.360 -0.081 1.00 0.00 N ATOM 770 CA ILE A 66 7.567 -8.395 0.878 1.00 0.00 C ATOM 771 C ILE A 66 6.390 -9.193 0.285 1.00 0.00 C ATOM 772 O ILE A 66 6.565 -10.278 -0.230 1.00 0.00 O ATOM 773 CB ILE A 66 7.168 -6.927 1.112 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.392 -5.999 1.108 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.508 -6.824 2.474 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.148 -4.813 0.170 1.00 0.00 C ATOM 0 H ILE A 66 8.618 -7.666 -0.824 1.00 0.00 H new ATOM 0 HA ILE A 66 7.844 -8.883 1.812 1.00 0.00 H new ATOM 0 HB ILE A 66 6.497 -6.623 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.589 -5.640 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.276 -6.551 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.217 -5.790 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.623 -7.460 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.209 -7.148 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.021 -4.161 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.973 -5.179 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.276 -4.254 0.509 1.00 0.00 H new ATOM 788 N SER A 67 5.199 -8.649 0.368 1.00 0.00 N ATOM 789 CA SER A 67 3.971 -9.315 -0.160 1.00 0.00 C ATOM 790 C SER A 67 2.792 -8.645 0.538 1.00 0.00 C ATOM 791 O SER A 67 2.778 -7.443 0.702 1.00 0.00 O ATOM 792 CB SER A 67 4.074 -10.792 0.231 1.00 0.00 C ATOM 793 OG SER A 67 4.404 -10.896 1.609 1.00 0.00 O ATOM 0 H SER A 67 5.025 -7.739 0.795 1.00 0.00 H new ATOM 0 HA SER A 67 3.853 -9.235 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.129 -11.298 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.834 -11.287 -0.374 1.00 0.00 H new ATOM 0 HG SER A 67 4.468 -11.841 1.860 1.00 0.00 H new ATOM 799 N GLU A 68 1.831 -9.381 1.002 1.00 0.00 N ATOM 800 CA GLU A 68 0.723 -8.719 1.730 1.00 0.00 C ATOM 801 C GLU A 68 1.313 -8.007 2.955 1.00 0.00 C ATOM 802 O GLU A 68 0.682 -7.172 3.572 1.00 0.00 O ATOM 803 CB GLU A 68 -0.218 -9.849 2.150 1.00 0.00 C ATOM 804 CG GLU A 68 -1.301 -10.035 1.085 1.00 0.00 C ATOM 805 CD GLU A 68 -1.190 -11.436 0.483 1.00 0.00 C ATOM 806 OE1 GLU A 68 -0.082 -11.942 0.412 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.213 -11.980 0.103 1.00 0.00 O ATOM 0 H GLU A 68 1.763 -10.395 0.912 1.00 0.00 H new ATOM 0 HA GLU A 68 0.192 -7.978 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.343 -10.775 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.675 -9.617 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.288 -9.895 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.191 -9.282 0.304 1.00 0.00 H new ATOM 814 N ALA A 69 2.531 -8.351 3.313 1.00 0.00 N ATOM 815 CA ALA A 69 3.185 -7.726 4.498 1.00 0.00 C ATOM 816 C ALA A 69 2.926 -6.218 4.548 1.00 0.00 C ATOM 817 O ALA A 69 2.077 -5.749 5.280 1.00 0.00 O ATOM 818 CB ALA A 69 4.675 -8.013 4.328 1.00 0.00 C ATOM 0 H ALA A 69 3.100 -9.044 2.827 1.00 0.00 H new ATOM 0 HA ALA A 69 2.792 -8.130 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.226 -7.583 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.837 -9.091 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.027 -7.571 3.396 1.00 0.00 H new ATOM 824 N LYS A 70 3.645 -5.453 3.775 1.00 0.00 N ATOM 825 CA LYS A 70 3.433 -3.983 3.779 1.00 0.00 C ATOM 826 C LYS A 70 2.291 -3.642 2.824 1.00 0.00 C ATOM 827 O LYS A 70 1.548 -2.705 3.031 1.00 0.00 O ATOM 828 CB LYS A 70 4.791 -3.390 3.338 1.00 0.00 C ATOM 829 CG LYS A 70 4.772 -2.912 1.875 1.00 0.00 C ATOM 830 CD LYS A 70 5.118 -4.065 0.931 1.00 0.00 C ATOM 831 CE LYS A 70 5.138 -3.541 -0.510 1.00 0.00 C ATOM 832 NZ LYS A 70 3.706 -3.470 -0.918 1.00 0.00 N ATOM 0 H LYS A 70 4.371 -5.785 3.140 1.00 0.00 H new ATOM 0 HA LYS A 70 3.143 -3.577 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.048 -2.554 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.571 -4.141 3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.787 -2.515 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.486 -2.099 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.089 -4.487 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.385 -4.866 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.613 -2.562 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.702 -4.207 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.605 -3.821 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.133 -4.056 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.380 -2.484 -0.870 1.00 0.00 H new ATOM 846 N ALA A 71 2.140 -4.409 1.783 1.00 0.00 N ATOM 847 CA ALA A 71 1.036 -4.137 0.820 1.00 0.00 C ATOM 848 C ALA A 71 -0.307 -4.183 1.546 1.00 0.00 C ATOM 849 O ALA A 71 -0.974 -3.181 1.706 1.00 0.00 O ATOM 850 CB ALA A 71 1.117 -5.259 -0.213 1.00 0.00 C ATOM 0 H ALA A 71 2.730 -5.210 1.556 1.00 0.00 H new ATOM 0 HA ALA A 71 1.125 -3.154 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.332 -5.125 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.090 -5.233 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.986 -6.221 0.283 1.00 0.00 H new ATOM 856 N ASP A 72 -0.707 -5.342 1.988 1.00 0.00 N ATOM 857 CA ASP A 72 -2.007 -5.452 2.705 1.00 0.00 C ATOM 858 C ASP A 72 -2.019 -4.531 3.925 1.00 0.00 C ATOM 859 O ASP A 72 -3.026 -3.932 4.250 1.00 0.00 O ATOM 860 CB ASP A 72 -2.105 -6.917 3.135 1.00 0.00 C ATOM 861 CG ASP A 72 -3.549 -7.398 2.986 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.205 -6.960 2.054 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.975 -8.196 3.804 1.00 0.00 O ATOM 0 H ASP A 72 -0.191 -6.216 1.884 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.848 -5.157 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.442 -7.531 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.779 -7.026 4.170 1.00 0.00 H new ATOM 868 N LYS A 73 -0.912 -4.408 4.604 1.00 0.00 N ATOM 869 CA LYS A 73 -0.875 -3.520 5.800 1.00 0.00 C ATOM 870 C LYS A 73 -1.321 -2.106 5.421 1.00 0.00 C ATOM 871 O LYS A 73 -1.825 -1.365 6.242 1.00 0.00 O ATOM 872 CB LYS A 73 0.584 -3.518 6.257 1.00 0.00 C ATOM 873 CG LYS A 73 0.736 -2.596 7.469 1.00 0.00 C ATOM 874 CD LYS A 73 0.277 -3.332 8.730 1.00 0.00 C ATOM 875 CE LYS A 73 -0.389 -2.341 9.687 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.616 -3.035 10.169 1.00 0.00 N ATOM 0 H LYS A 73 -0.036 -4.881 4.384 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.544 -3.865 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.897 -4.530 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.230 -3.181 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.775 -2.285 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.145 -1.691 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.423 -4.125 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.129 -3.807 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.272 -2.088 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.637 -1.408 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.127 -2.417 10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.230 -3.258 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.349 -3.916 10.654 1.00 0.00 H new ATOM 890 N ILE A 74 -1.140 -1.723 4.187 1.00 0.00 N ATOM 891 CA ILE A 74 -1.560 -0.353 3.776 1.00 0.00 C ATOM 892 C ILE A 74 -3.072 -0.325 3.530 1.00 0.00 C ATOM 893 O ILE A 74 -3.772 0.546 4.007 1.00 0.00 O ATOM 894 CB ILE A 74 -0.756 -0.041 2.498 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.310 1.425 2.529 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.601 -0.284 1.242 1.00 0.00 C ATOM 897 CD1 ILE A 74 -1.479 2.311 2.966 1.00 0.00 C ATOM 0 H ILE A 74 -0.723 -2.293 3.451 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.363 0.397 4.542 1.00 0.00 H new ATOM 0 HB ILE A 74 0.111 -0.701 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.527 1.546 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.041 1.729 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.009 -0.056 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.914 -1.327 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.481 0.359 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.158 3.353 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.303 2.199 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.809 2.013 3.961 1.00 0.00 H new ATOM 909 N LEU A 75 -3.582 -1.274 2.796 1.00 0.00 N ATOM 910 CA LEU A 75 -5.047 -1.299 2.536 1.00 0.00 C ATOM 911 C LEU A 75 -5.802 -1.372 3.864 1.00 0.00 C ATOM 912 O LEU A 75 -6.965 -1.029 3.951 1.00 0.00 O ATOM 913 CB LEU A 75 -5.287 -2.563 1.708 1.00 0.00 C ATOM 914 CG LEU A 75 -5.637 -2.171 0.272 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.433 -1.487 -0.378 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.003 -3.425 -0.526 1.00 0.00 C ATOM 0 H LEU A 75 -3.050 -2.031 2.367 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.394 -0.407 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.397 -3.192 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.096 -3.149 2.144 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.484 -1.486 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.682 -1.207 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.172 -0.593 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.585 -2.172 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.252 -3.145 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.156 -4.111 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.861 -3.913 -0.064 1.00 0.00 H new ATOM 928 N ALA A 76 -5.144 -1.816 4.900 1.00 0.00 N ATOM 929 CA ALA A 76 -5.814 -1.910 6.230 1.00 0.00 C ATOM 930 C ALA A 76 -5.965 -0.516 6.843 1.00 0.00 C ATOM 931 O ALA A 76 -7.060 -0.047 7.079 1.00 0.00 O ATOM 932 CB ALA A 76 -4.883 -2.773 7.081 1.00 0.00 C ATOM 0 H ALA A 76 -4.170 -2.118 4.884 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.815 -2.337 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.306 -2.890 8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.770 -3.753 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.908 -2.292 7.155 1.00 0.00 H new ATOM 938 N GLU A 77 -4.872 0.151 7.102 1.00 0.00 N ATOM 939 CA GLU A 77 -4.955 1.516 7.698 1.00 0.00 C ATOM 940 C GLU A 77 -5.476 2.511 6.658 1.00 0.00 C ATOM 941 O GLU A 77 -5.892 3.605 6.982 1.00 0.00 O ATOM 942 CB GLU A 77 -3.522 1.864 8.104 1.00 0.00 C ATOM 943 CG GLU A 77 -3.076 0.945 9.243 1.00 0.00 C ATOM 944 CD GLU A 77 -1.696 1.379 9.740 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.376 2.548 9.595 1.00 0.00 O ATOM 946 OE2 GLU A 77 -0.982 0.536 10.257 1.00 0.00 O ATOM 0 H GLU A 77 -3.927 -0.190 6.927 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.636 1.555 8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.854 1.753 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.465 2.906 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.797 0.984 10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.041 -0.088 8.898 1.00 0.00 H new ATOM 953 N ALA A 78 -5.449 2.138 5.407 1.00 0.00 N ATOM 954 CA ALA A 78 -5.934 3.057 4.338 1.00 0.00 C ATOM 955 C ALA A 78 -7.460 3.022 4.247 1.00 0.00 C ATOM 956 O ALA A 78 -8.114 4.046 4.231 1.00 0.00 O ATOM 957 CB ALA A 78 -5.310 2.518 3.050 1.00 0.00 C ATOM 0 H ALA A 78 -5.111 1.233 5.079 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.657 4.094 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.617 3.140 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.224 2.536 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.644 1.494 2.885 1.00 0.00 H new ATOM 963 N ALA A 79 -8.034 1.856 4.182 1.00 0.00 N ATOM 964 CA ALA A 79 -9.518 1.760 4.086 1.00 0.00 C ATOM 965 C ALA A 79 -10.158 2.035 5.450 1.00 0.00 C ATOM 966 O ALA A 79 -11.335 2.315 5.549 1.00 0.00 O ATOM 967 CB ALA A 79 -9.789 0.325 3.636 1.00 0.00 C ATOM 0 H ALA A 79 -7.541 0.963 4.191 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.938 2.489 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.864 0.170 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.310 0.149 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.387 -0.370 4.373 1.00 0.00 H new ATOM 973 N LYS A 80 -9.388 1.959 6.502 1.00 0.00 N ATOM 974 CA LYS A 80 -9.951 2.219 7.860 1.00 0.00 C ATOM 975 C LYS A 80 -9.643 3.656 8.293 1.00 0.00 C ATOM 976 O LYS A 80 -10.330 4.224 9.117 1.00 0.00 O ATOM 977 CB LYS A 80 -9.247 1.219 8.778 1.00 0.00 C ATOM 978 CG LYS A 80 -9.987 -0.120 8.738 1.00 0.00 C ATOM 979 CD LYS A 80 -10.872 -0.253 9.979 1.00 0.00 C ATOM 980 CE LYS A 80 -10.183 -1.154 11.006 1.00 0.00 C ATOM 981 NZ LYS A 80 -11.266 -1.569 11.941 1.00 0.00 N ATOM 0 H LYS A 80 -8.395 1.728 6.481 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.035 2.104 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.213 1.084 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.221 1.602 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.596 -0.184 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.272 -0.942 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.060 0.730 10.411 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.840 -0.672 9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.722 -2.018 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.391 -0.620 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.871 -2.190 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.682 -0.726 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.002 -2.081 11.414 1.00 0.00 H new ATOM 995 N LEU A 81 -8.615 4.245 7.744 1.00 0.00 N ATOM 996 CA LEU A 81 -8.267 5.645 8.126 1.00 0.00 C ATOM 997 C LEU A 81 -8.642 6.605 6.994 1.00 0.00 C ATOM 998 O LEU A 81 -9.223 7.649 7.220 1.00 0.00 O ATOM 999 CB LEU A 81 -6.753 5.631 8.341 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.366 6.745 9.318 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.007 6.431 9.950 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.278 8.075 8.565 1.00 0.00 C ATOM 0 H LEU A 81 -8.002 3.819 7.049 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.800 5.979 9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.440 4.664 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.239 5.771 7.390 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.121 6.815 10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.736 7.226 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.066 5.485 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.250 6.358 9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.003 8.869 9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.524 8.000 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.245 8.304 8.117 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.318 6.259 5.780 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.663 7.150 4.634 1.00 0.00 C ATOM 1016 C VAL A 82 -9.765 6.509 3.787 1.00 0.00 C ATOM 1017 O VAL A 82 -9.510 6.016 2.707 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.374 7.275 3.823 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.606 8.207 2.631 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.268 7.851 4.711 1.00 0.00 C ATOM 0 H VAL A 82 -7.830 5.399 5.530 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.032 8.122 4.963 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.077 6.291 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.686 8.295 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.394 7.799 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.904 9.192 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.348 7.941 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.567 8.835 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.101 7.188 5.560 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.958 6.533 4.314 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.120 5.943 3.604 1.00 0.00 C ATOM 1032 C PRO A 83 -12.510 6.802 2.397 1.00 0.00 C ATOM 1033 O PRO A 83 -12.589 6.324 1.282 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.223 5.947 4.659 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.841 7.032 5.615 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.336 7.111 5.609 1.00 0.00 C ATOM 0 HA PRO A 83 -11.919 4.947 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.197 6.141 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.291 4.983 5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.279 7.984 5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.212 6.813 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.989 8.140 5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.903 6.551 6.438 1.00 0.00 H new ATOM 1044 N MET A 84 -12.758 8.065 2.610 1.00 0.00 N ATOM 1045 CA MET A 84 -13.146 8.948 1.472 1.00 0.00 C ATOM 1046 C MET A 84 -12.278 10.211 1.454 1.00 0.00 C ATOM 1047 O MET A 84 -11.973 10.750 0.409 1.00 0.00 O ATOM 1048 CB MET A 84 -14.610 9.305 1.727 1.00 0.00 C ATOM 1049 CG MET A 84 -15.509 8.433 0.846 1.00 0.00 C ATOM 1050 SD MET A 84 -17.225 8.990 0.996 1.00 0.00 S ATOM 1051 CE MET A 84 -17.431 8.610 2.753 1.00 0.00 C ATOM 0 H MET A 84 -12.709 8.524 3.520 1.00 0.00 H new ATOM 0 HA MET A 84 -13.008 8.459 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 84 -14.855 9.153 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.782 10.359 1.509 1.00 0.00 H new ATOM 0 HG2 MET A 84 -15.186 8.493 -0.193 1.00 0.00 H new ATOM 0 HG3 MET A 84 -15.427 7.388 1.146 1.00 0.00 H new ATOM 0 HE1 MET A 84 -18.485 8.431 2.965 1.00 0.00 H new ATOM 0 HE2 MET A 84 -16.854 7.720 3.003 1.00 0.00 H new ATOM 0 HE3 MET A 84 -17.079 9.451 3.351 1.00 0.00 H new ATOM 1061 N GLY A 85 -11.881 10.687 2.601 1.00 0.00 N ATOM 1062 CA GLY A 85 -11.037 11.915 2.644 1.00 0.00 C ATOM 1063 C GLY A 85 -10.426 12.070 4.037 1.00 0.00 C ATOM 1064 O GLY A 85 -11.173 12.014 4.999 1.00 0.00 O ATOM 0 H GLY A 85 -12.104 10.280 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.248 11.852 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.639 12.791 2.400 1.00 0.00 H new TER 1068 GLY A 85