USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 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 56 LYS NZ :NH3+ -123:sc= 0.301 (180deg=0) USER MOD Set 1.2: A 75 CYS SG : rot -15:sc= 1.11 USER MOD Set 2.1: A 48 GLN : amide:sc= -3.49! K(o=-3.4!,f=0.17) USER MOD Set 2.2: A 66 THR OG1 : rot 103:sc= 0.0735 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.584 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 26 TYR OH : rot 99:sc= -4.11! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 31 MET CE :methyl 177:sc= -0.114 (180deg=-0.137) USER MOD Single : A 32 SER OG : rot 140:sc= -0.457 USER MOD Single : A 34 ASN : amide:sc= -1.58 K(o=-1.6,f=-17!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 77 MET CE :methyl 177:sc= -0.249 (180deg=-0.287) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.9!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 163:sc= -0.0386 (180deg=-0.402) USER MOD Single : A 91 GLN : amide:sc= -0.913 K(o=-0.91,f=-2.4!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.382 -8.982 -26.943 1.00 0.00 N ATOM 2 CA GLY A 1 6.989 -7.615 -27.228 1.00 0.00 C ATOM 3 C GLY A 1 6.144 -7.012 -26.123 1.00 0.00 C ATOM 4 O GLY A 1 6.597 -6.887 -24.985 1.00 0.00 O ATOM 0 H1 GLY A 1 7.957 -9.349 -27.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.938 -9.007 -26.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.532 -9.571 -26.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.882 -7.006 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.431 -7.588 -28.164 1.00 0.00 H new ATOM 8 N SER A 2 4.914 -6.636 -26.458 1.00 0.00 N ATOM 9 CA SER A 2 4.006 -6.038 -25.486 1.00 0.00 C ATOM 10 C SER A 2 3.341 -7.113 -24.631 1.00 0.00 C ATOM 11 O SER A 2 2.309 -7.670 -25.007 1.00 0.00 O ATOM 12 CB SER A 2 2.939 -5.205 -26.199 1.00 0.00 C ATOM 13 OG SER A 2 2.250 -5.978 -27.166 1.00 0.00 O ATOM 0 H SER A 2 4.523 -6.735 -27.395 1.00 0.00 H new ATOM 0 HA SER A 2 4.588 -5.388 -24.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.230 -4.815 -25.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.406 -4.346 -26.681 1.00 0.00 H new ATOM 0 HG SER A 2 2.016 -6.849 -26.782 1.00 0.00 H new ATOM 19 N SER A 3 3.940 -7.398 -23.480 1.00 0.00 N ATOM 20 CA SER A 3 3.409 -8.409 -22.572 1.00 0.00 C ATOM 21 C SER A 3 2.938 -7.773 -21.268 1.00 0.00 C ATOM 22 O SER A 3 3.630 -6.941 -20.683 1.00 0.00 O ATOM 23 CB SER A 3 4.471 -9.471 -22.280 1.00 0.00 C ATOM 24 OG SER A 3 5.398 -9.013 -21.312 1.00 0.00 O ATOM 0 H SER A 3 4.793 -6.944 -23.153 1.00 0.00 H new ATOM 0 HA SER A 3 2.555 -8.883 -23.055 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.990 -10.382 -21.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.997 -9.726 -23.200 1.00 0.00 H new ATOM 0 HG SER A 3 6.065 -9.711 -21.142 1.00 0.00 H new ATOM 30 N GLY A 4 1.752 -8.172 -20.817 1.00 0.00 N ATOM 31 CA GLY A 4 1.207 -7.632 -19.585 1.00 0.00 C ATOM 32 C GLY A 4 -0.266 -7.948 -19.415 1.00 0.00 C ATOM 33 O GLY A 4 -0.835 -8.720 -20.187 1.00 0.00 O ATOM 0 H GLY A 4 1.159 -8.859 -21.283 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.762 -8.036 -18.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.347 -6.551 -19.572 1.00 0.00 H new ATOM 37 N SER A 5 -0.884 -7.352 -18.401 1.00 0.00 N ATOM 38 CA SER A 5 -2.299 -7.578 -18.129 1.00 0.00 C ATOM 39 C SER A 5 -2.898 -6.406 -17.357 1.00 0.00 C ATOM 40 O SER A 5 -2.454 -6.082 -16.256 1.00 0.00 O ATOM 41 CB SER A 5 -2.487 -8.874 -17.337 1.00 0.00 C ATOM 42 OG SER A 5 -3.849 -9.264 -17.313 1.00 0.00 O ATOM 0 H SER A 5 -0.428 -6.709 -17.754 1.00 0.00 H new ATOM 0 HA SER A 5 -2.818 -7.665 -19.084 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.886 -9.667 -17.783 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.127 -8.736 -16.317 1.00 0.00 H new ATOM 0 HG SER A 5 -3.942 -10.095 -16.802 1.00 0.00 H new ATOM 48 N SER A 6 -3.910 -5.775 -17.944 1.00 0.00 N ATOM 49 CA SER A 6 -4.569 -4.636 -17.315 1.00 0.00 C ATOM 50 C SER A 6 -5.900 -5.053 -16.696 1.00 0.00 C ATOM 51 O SER A 6 -6.303 -6.212 -16.785 1.00 0.00 O ATOM 52 CB SER A 6 -4.795 -3.522 -18.338 1.00 0.00 C ATOM 53 OG SER A 6 -5.565 -3.984 -19.434 1.00 0.00 O ATOM 0 H SER A 6 -4.291 -6.033 -18.854 1.00 0.00 H new ATOM 0 HA SER A 6 -3.920 -4.264 -16.522 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.302 -2.684 -17.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.834 -3.152 -18.695 1.00 0.00 H new ATOM 0 HG SER A 6 -5.697 -3.252 -20.073 1.00 0.00 H new ATOM 59 N GLY A 7 -6.578 -4.097 -16.068 1.00 0.00 N ATOM 60 CA GLY A 7 -7.857 -4.383 -15.444 1.00 0.00 C ATOM 61 C GLY A 7 -7.758 -5.469 -14.391 1.00 0.00 C ATOM 62 O GLY A 7 -6.784 -5.531 -13.640 1.00 0.00 O ATOM 0 H GLY A 7 -6.265 -3.130 -15.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.247 -3.473 -14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.571 -4.687 -16.209 1.00 0.00 H new ATOM 66 N THR A 8 -8.769 -6.330 -14.335 1.00 0.00 N ATOM 67 CA THR A 8 -8.794 -7.418 -13.365 1.00 0.00 C ATOM 68 C THR A 8 -9.169 -8.738 -14.029 1.00 0.00 C ATOM 69 O THR A 8 -9.834 -8.756 -15.065 1.00 0.00 O ATOM 70 CB THR A 8 -9.787 -7.130 -12.223 1.00 0.00 C ATOM 71 OG1 THR A 8 -9.828 -8.239 -11.319 1.00 0.00 O ATOM 72 CG2 THR A 8 -11.181 -6.865 -12.772 1.00 0.00 C ATOM 0 H THR A 8 -9.582 -6.295 -14.950 1.00 0.00 H new ATOM 0 HA THR A 8 -7.789 -7.496 -12.951 1.00 0.00 H new ATOM 0 HB THR A 8 -9.448 -6.241 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.460 -8.048 -10.595 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.865 -6.664 -11.947 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.152 -6.002 -13.438 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.526 -7.738 -13.325 1.00 0.00 H new ATOM 80 N ASP A 9 -8.739 -9.841 -13.426 1.00 0.00 N ATOM 81 CA ASP A 9 -9.032 -11.167 -13.958 1.00 0.00 C ATOM 82 C ASP A 9 -9.748 -12.023 -12.919 1.00 0.00 C ATOM 83 O ASP A 9 -9.558 -11.868 -11.712 1.00 0.00 O ATOM 84 CB ASP A 9 -7.742 -11.856 -14.404 1.00 0.00 C ATOM 85 CG ASP A 9 -6.937 -11.009 -15.370 1.00 0.00 C ATOM 86 OD1 ASP A 9 -7.265 -11.010 -16.575 1.00 0.00 O ATOM 87 OD2 ASP A 9 -5.978 -10.347 -14.921 1.00 0.00 O ATOM 0 H ASP A 9 -8.186 -9.843 -12.569 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.689 -11.049 -14.820 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.133 -12.082 -13.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.986 -12.807 -14.876 1.00 0.00 H new ATOM 92 N PRO A 10 -10.593 -12.950 -13.396 1.00 0.00 N ATOM 93 CA PRO A 10 -11.355 -13.849 -12.524 1.00 0.00 C ATOM 94 C PRO A 10 -10.466 -14.876 -11.831 1.00 0.00 C ATOM 95 O PRO A 10 -9.654 -15.541 -12.471 1.00 0.00 O ATOM 96 CB PRO A 10 -12.321 -14.543 -13.489 1.00 0.00 C ATOM 97 CG PRO A 10 -11.643 -14.480 -14.814 1.00 0.00 C ATOM 98 CD PRO A 10 -10.868 -13.191 -14.822 1.00 0.00 C ATOM 0 HA PRO A 10 -11.850 -13.311 -11.716 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.508 -15.574 -13.189 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.287 -14.038 -13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.981 -15.334 -14.954 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.370 -14.503 -15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.948 -13.279 -15.400 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.445 -12.378 -15.263 1.00 0.00 H new ATOM 106 N GLY A 11 -10.626 -14.999 -10.516 1.00 0.00 N ATOM 107 CA GLY A 11 -9.831 -15.947 -9.758 1.00 0.00 C ATOM 108 C GLY A 11 -10.662 -16.737 -8.766 1.00 0.00 C ATOM 109 O GLY A 11 -11.356 -17.681 -9.141 1.00 0.00 O ATOM 0 H GLY A 11 -11.292 -14.459 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.339 -16.636 -10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.045 -15.413 -9.225 1.00 0.00 H new ATOM 113 N ALA A 12 -10.589 -16.351 -7.496 1.00 0.00 N ATOM 114 CA ALA A 12 -11.340 -17.030 -6.447 1.00 0.00 C ATOM 115 C ALA A 12 -11.349 -16.212 -5.161 1.00 0.00 C ATOM 116 O ALA A 12 -10.530 -15.311 -4.982 1.00 0.00 O ATOM 117 CB ALA A 12 -10.757 -18.412 -6.191 1.00 0.00 C ATOM 0 H ALA A 12 -10.018 -15.572 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.371 -17.139 -6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.327 -18.908 -5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.808 -19.004 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.717 -18.316 -5.879 1.00 0.00 H new ATOM 123 N GLU A 13 -12.281 -16.531 -4.268 1.00 0.00 N ATOM 124 CA GLU A 13 -12.397 -15.822 -2.999 1.00 0.00 C ATOM 125 C GLU A 13 -11.020 -15.458 -2.452 1.00 0.00 C ATOM 126 O GLU A 13 -10.117 -16.293 -2.411 1.00 0.00 O ATOM 127 CB GLU A 13 -13.153 -16.677 -1.980 1.00 0.00 C ATOM 128 CG GLU A 13 -12.352 -17.861 -1.464 1.00 0.00 C ATOM 129 CD GLU A 13 -13.144 -18.726 -0.503 1.00 0.00 C ATOM 130 OE1 GLU A 13 -13.257 -18.346 0.681 1.00 0.00 O ATOM 131 OE2 GLU A 13 -13.649 -19.783 -0.935 1.00 0.00 O ATOM 0 H GLU A 13 -12.966 -17.275 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.954 -14.902 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.443 -16.050 -1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.073 -17.043 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.024 -18.468 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.454 -17.497 -0.964 1.00 0.00 H new ATOM 138 N GLU A 14 -10.868 -14.206 -2.032 1.00 0.00 N ATOM 139 CA GLU A 14 -9.601 -13.731 -1.489 1.00 0.00 C ATOM 140 C GLU A 14 -9.793 -13.148 -0.092 1.00 0.00 C ATOM 141 O GLU A 14 -10.916 -12.860 0.325 1.00 0.00 O ATOM 142 CB GLU A 14 -8.987 -12.677 -2.413 1.00 0.00 C ATOM 143 CG GLU A 14 -9.858 -11.445 -2.595 1.00 0.00 C ATOM 144 CD GLU A 14 -9.067 -10.235 -3.051 1.00 0.00 C ATOM 145 OE1 GLU A 14 -8.501 -10.279 -4.163 1.00 0.00 O ATOM 146 OE2 GLU A 14 -9.014 -9.242 -2.295 1.00 0.00 O ATOM 0 H GLU A 14 -11.606 -13.503 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.923 -14.582 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.021 -12.372 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.799 -13.126 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.638 -11.661 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.357 -11.215 -1.654 1.00 0.00 H new ATOM 153 N LEU A 15 -8.689 -12.977 0.628 1.00 0.00 N ATOM 154 CA LEU A 15 -8.734 -12.428 1.979 1.00 0.00 C ATOM 155 C LEU A 15 -9.061 -10.939 1.951 1.00 0.00 C ATOM 156 O LEU A 15 -8.637 -10.201 1.061 1.00 0.00 O ATOM 157 CB LEU A 15 -7.398 -12.656 2.687 1.00 0.00 C ATOM 158 CG LEU A 15 -7.135 -14.078 3.184 1.00 0.00 C ATOM 159 CD1 LEU A 15 -5.666 -14.261 3.529 1.00 0.00 C ATOM 160 CD2 LEU A 15 -8.010 -14.392 4.389 1.00 0.00 C ATOM 0 H LEU A 15 -7.752 -13.211 0.299 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.522 -12.943 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.596 -12.377 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.341 -11.979 3.539 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.388 -14.774 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.499 -15.279 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.059 -14.079 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.386 -13.556 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.810 -15.408 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.788 -13.690 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.060 -14.304 4.109 1.00 0.00 H new ATOM 172 N PRO A 16 -9.831 -10.483 2.950 1.00 0.00 N ATOM 173 CA PRO A 16 -10.229 -9.077 3.065 1.00 0.00 C ATOM 174 C PRO A 16 -9.057 -8.170 3.424 1.00 0.00 C ATOM 175 O PRO A 16 -8.438 -8.328 4.475 1.00 0.00 O ATOM 176 CB PRO A 16 -11.261 -9.091 4.196 1.00 0.00 C ATOM 177 CG PRO A 16 -10.911 -10.287 5.012 1.00 0.00 C ATOM 178 CD PRO A 16 -10.372 -11.306 4.045 1.00 0.00 C ATOM 0 HA PRO A 16 -10.614 -8.684 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.211 -8.178 4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.276 -9.161 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.169 -10.038 5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.786 -10.671 5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.600 -11.925 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.154 -11.979 3.693 1.00 0.00 H new ATOM 186 N ALA A 17 -8.760 -7.219 2.544 1.00 0.00 N ATOM 187 CA ALA A 17 -7.663 -6.286 2.770 1.00 0.00 C ATOM 188 C ALA A 17 -8.185 -4.929 3.233 1.00 0.00 C ATOM 189 O ALA A 17 -8.664 -4.130 2.428 1.00 0.00 O ATOM 190 CB ALA A 17 -6.833 -6.130 1.505 1.00 0.00 C ATOM 0 H ALA A 17 -9.263 -7.075 1.669 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.029 -6.692 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.018 -5.430 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.423 -7.098 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.463 -5.750 0.701 1.00 0.00 H new ATOM 196 N ARG A 18 -8.088 -4.676 4.534 1.00 0.00 N ATOM 197 CA ARG A 18 -8.552 -3.416 5.103 1.00 0.00 C ATOM 198 C ARG A 18 -8.130 -2.237 4.232 1.00 0.00 C ATOM 199 O ARG A 18 -6.941 -1.949 4.094 1.00 0.00 O ATOM 200 CB ARG A 18 -8.002 -3.240 6.520 1.00 0.00 C ATOM 201 CG ARG A 18 -8.234 -4.444 7.418 1.00 0.00 C ATOM 202 CD ARG A 18 -8.019 -4.096 8.883 1.00 0.00 C ATOM 203 NE ARG A 18 -9.087 -3.249 9.406 1.00 0.00 N ATOM 204 CZ ARG A 18 -9.042 -2.660 10.596 1.00 0.00 C ATOM 205 NH1 ARG A 18 -7.986 -2.825 11.381 1.00 0.00 N ATOM 206 NH2 ARG A 18 -10.053 -1.903 11.002 1.00 0.00 N ATOM 0 H ARG A 18 -7.693 -5.326 5.213 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.641 -3.443 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.932 -3.041 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.465 -2.364 6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.249 -4.815 7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.558 -5.249 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.964 -5.013 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.063 -3.586 8.998 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.913 -3.101 8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.206 -3.405 11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.954 -2.372 12.294 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.866 -1.773 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.017 -1.451 11.916 1.00 0.00 H new ATOM 220 N ILE A 19 -9.111 -1.561 3.645 1.00 0.00 N ATOM 221 CA ILE A 19 -8.841 -0.413 2.788 1.00 0.00 C ATOM 222 C ILE A 19 -8.586 0.843 3.614 1.00 0.00 C ATOM 223 O ILE A 19 -9.321 1.138 4.557 1.00 0.00 O ATOM 224 CB ILE A 19 -10.008 -0.148 1.818 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.284 -1.389 0.966 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.700 1.050 0.933 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.038 -1.996 0.362 1.00 0.00 C ATOM 0 H ILE A 19 -10.100 -1.788 3.747 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.947 -0.653 2.212 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.901 0.076 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.782 -2.139 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.974 -1.124 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.534 1.224 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.548 1.932 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.797 0.853 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.309 -2.871 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.550 -1.262 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.355 -2.293 1.158 1.00 0.00 H new ATOM 239 N PHE A 20 -7.541 1.580 3.253 1.00 0.00 N ATOM 240 CA PHE A 20 -7.189 2.805 3.960 1.00 0.00 C ATOM 241 C PHE A 20 -6.872 3.929 2.977 1.00 0.00 C ATOM 242 O PHE A 20 -6.035 3.773 2.088 1.00 0.00 O ATOM 243 CB PHE A 20 -5.990 2.563 4.879 1.00 0.00 C ATOM 244 CG PHE A 20 -6.371 2.065 6.244 1.00 0.00 C ATOM 245 CD1 PHE A 20 -6.853 0.777 6.416 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.248 2.885 7.354 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.204 0.316 7.671 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.597 2.429 8.611 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.077 1.143 8.770 1.00 0.00 C ATOM 0 H PHE A 20 -6.923 1.350 2.475 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.046 3.105 4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.323 1.839 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.429 3.492 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.955 0.126 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.875 3.892 7.236 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.577 -0.690 7.792 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.495 3.077 9.469 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.352 0.785 9.751 1.00 0.00 H new ATOM 259 N VAL A 21 -7.549 5.061 3.144 1.00 0.00 N ATOM 260 CA VAL A 21 -7.340 6.211 2.273 1.00 0.00 C ATOM 261 C VAL A 21 -6.341 7.188 2.882 1.00 0.00 C ATOM 262 O VAL A 21 -6.245 7.312 4.103 1.00 0.00 O ATOM 263 CB VAL A 21 -8.662 6.952 1.995 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.143 7.673 3.244 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.493 7.925 0.838 1.00 0.00 C ATOM 0 H VAL A 21 -8.246 5.206 3.874 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.942 5.828 1.333 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.418 6.219 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.078 8.191 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.305 6.949 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.391 8.397 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.436 8.440 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.723 8.655 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.199 7.378 -0.058 1.00 0.00 H new ATOM 275 N ALA A 22 -5.600 7.881 2.024 1.00 0.00 N ATOM 276 CA ALA A 22 -4.610 8.849 2.478 1.00 0.00 C ATOM 277 C ALA A 22 -5.262 10.188 2.807 1.00 0.00 C ATOM 278 O ALA A 22 -6.014 10.738 2.002 1.00 0.00 O ATOM 279 CB ALA A 22 -3.528 9.032 1.423 1.00 0.00 C ATOM 0 H ALA A 22 -5.667 7.790 1.010 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.153 8.463 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.795 9.758 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.034 8.078 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.979 9.392 0.498 1.00 0.00 H new ATOM 285 N LEU A 23 -4.970 10.707 3.995 1.00 0.00 N ATOM 286 CA LEU A 23 -5.529 11.981 4.431 1.00 0.00 C ATOM 287 C LEU A 23 -4.643 13.143 3.993 1.00 0.00 C ATOM 288 O LEU A 23 -5.087 14.290 3.939 1.00 0.00 O ATOM 289 CB LEU A 23 -5.692 11.995 5.952 1.00 0.00 C ATOM 290 CG LEU A 23 -6.525 10.860 6.548 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.648 11.023 8.055 1.00 0.00 C ATOM 292 CD2 LEU A 23 -7.901 10.812 5.901 1.00 0.00 C ATOM 0 H LEU A 23 -4.349 10.265 4.673 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.508 12.098 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.700 11.967 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.147 12.943 6.240 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.017 9.917 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.244 10.206 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.655 11.007 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.133 11.973 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.480 9.998 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.417 11.757 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.793 10.647 4.829 1.00 0.00 H new ATOM 304 N PHE A 24 -3.388 12.838 3.678 1.00 0.00 N ATOM 305 CA PHE A 24 -2.440 13.856 3.243 1.00 0.00 C ATOM 306 C PHE A 24 -1.259 13.223 2.512 1.00 0.00 C ATOM 307 O PHE A 24 -0.658 12.263 2.995 1.00 0.00 O ATOM 308 CB PHE A 24 -1.938 14.662 4.443 1.00 0.00 C ATOM 309 CG PHE A 24 -2.961 14.816 5.532 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.061 13.874 6.544 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.821 15.901 5.544 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.002 14.013 7.547 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.764 16.046 6.545 1.00 0.00 C ATOM 314 CZ PHE A 24 -4.853 15.100 7.548 1.00 0.00 C ATOM 0 H PHE A 24 -3.005 11.894 3.716 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.955 14.525 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.053 14.175 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.629 15.651 4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.397 13.022 6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.755 16.643 4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.071 13.272 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.429 16.897 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.588 15.211 8.332 1.00 0.00 H new ATOM 324 N ASP A 25 -0.934 13.767 1.344 1.00 0.00 N ATOM 325 CA ASP A 25 0.175 13.257 0.546 1.00 0.00 C ATOM 326 C ASP A 25 1.349 12.862 1.435 1.00 0.00 C ATOM 327 O ASP A 25 1.677 13.562 2.395 1.00 0.00 O ATOM 328 CB ASP A 25 0.621 14.305 -0.475 1.00 0.00 C ATOM 329 CG ASP A 25 -0.542 15.101 -1.034 1.00 0.00 C ATOM 330 OD1 ASP A 25 -1.085 15.954 -0.301 1.00 0.00 O ATOM 331 OD2 ASP A 25 -0.910 14.870 -2.205 1.00 0.00 O ATOM 0 H ASP A 25 -1.422 14.561 0.929 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.170 12.369 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.331 14.986 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.146 13.811 -1.293 1.00 0.00 H new ATOM 336 N TYR A 26 1.979 11.738 1.112 1.00 0.00 N ATOM 337 CA TYR A 26 3.115 11.249 1.884 1.00 0.00 C ATOM 338 C TYR A 26 4.319 10.999 0.981 1.00 0.00 C ATOM 339 O TYR A 26 4.303 10.101 0.140 1.00 0.00 O ATOM 340 CB TYR A 26 2.741 9.963 2.622 1.00 0.00 C ATOM 341 CG TYR A 26 3.920 9.269 3.265 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.932 9.998 3.875 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.021 7.883 3.263 1.00 0.00 C ATOM 344 CE1 TYR A 26 6.012 9.368 4.464 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.096 7.244 3.850 1.00 0.00 C ATOM 346 CZ TYR A 26 6.089 7.991 4.448 1.00 0.00 C ATOM 347 OH TYR A 26 7.162 7.360 5.034 1.00 0.00 O ATOM 0 H TYR A 26 1.722 11.148 0.320 1.00 0.00 H new ATOM 0 HA TYR A 26 3.383 12.013 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.004 10.196 3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.265 9.277 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.874 11.076 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.246 7.295 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.791 9.950 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.158 6.166 3.841 1.00 0.00 H new ATOM 0 HH TYR A 26 6.910 7.048 5.928 1.00 0.00 H new ATOM 357 N ASP A 27 5.363 11.800 1.164 1.00 0.00 N ATOM 358 CA ASP A 27 6.578 11.666 0.369 1.00 0.00 C ATOM 359 C ASP A 27 7.769 11.306 1.252 1.00 0.00 C ATOM 360 O ASP A 27 8.367 12.160 1.908 1.00 0.00 O ATOM 361 CB ASP A 27 6.863 12.963 -0.389 1.00 0.00 C ATOM 362 CG ASP A 27 7.872 12.773 -1.504 1.00 0.00 C ATOM 363 OD1 ASP A 27 8.974 12.257 -1.224 1.00 0.00 O ATOM 364 OD2 ASP A 27 7.561 13.142 -2.656 1.00 0.00 O ATOM 0 H ASP A 27 5.392 12.549 1.856 1.00 0.00 H new ATOM 0 HA ASP A 27 6.425 10.861 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.933 13.348 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.234 13.714 0.309 1.00 0.00 H new ATOM 369 N PRO A 28 8.122 10.013 1.272 1.00 0.00 N ATOM 370 CA PRO A 28 9.244 9.511 2.071 1.00 0.00 C ATOM 371 C PRO A 28 10.593 9.972 1.531 1.00 0.00 C ATOM 372 O PRO A 28 11.594 9.970 2.248 1.00 0.00 O ATOM 373 CB PRO A 28 9.112 7.990 1.951 1.00 0.00 C ATOM 374 CG PRO A 28 8.389 7.772 0.667 1.00 0.00 C ATOM 375 CD PRO A 28 7.455 8.940 0.515 1.00 0.00 C ATOM 0 HA PRO A 28 9.209 9.877 3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.089 7.507 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.559 7.573 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.086 7.718 -0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.838 6.831 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.319 9.212 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.467 8.719 0.918 1.00 0.00 H new ATOM 383 N LEU A 29 10.614 10.367 0.263 1.00 0.00 N ATOM 384 CA LEU A 29 11.841 10.833 -0.374 1.00 0.00 C ATOM 385 C LEU A 29 12.220 12.223 0.124 1.00 0.00 C ATOM 386 O LEU A 29 13.400 12.546 0.261 1.00 0.00 O ATOM 387 CB LEU A 29 11.674 10.851 -1.895 1.00 0.00 C ATOM 388 CG LEU A 29 10.978 9.636 -2.509 1.00 0.00 C ATOM 389 CD1 LEU A 29 10.995 9.722 -4.027 1.00 0.00 C ATOM 390 CD2 LEU A 29 11.639 8.349 -2.038 1.00 0.00 C ATOM 0 H LEU A 29 9.795 10.374 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 29 12.642 10.143 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.111 11.743 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.661 10.946 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 29 9.940 9.630 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.495 8.849 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.476 10.626 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.026 9.753 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.131 7.494 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.687 8.347 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.574 8.283 -0.952 1.00 0.00 H new ATOM 402 N THR A 30 11.210 13.044 0.397 1.00 0.00 N ATOM 403 CA THR A 30 11.436 14.400 0.882 1.00 0.00 C ATOM 404 C THR A 30 11.223 14.488 2.389 1.00 0.00 C ATOM 405 O THR A 30 12.070 15.006 3.115 1.00 0.00 O ATOM 406 CB THR A 30 10.505 15.409 0.184 1.00 0.00 C ATOM 407 OG1 THR A 30 9.183 15.311 0.724 1.00 0.00 O ATOM 408 CG2 THR A 30 10.465 15.160 -1.316 1.00 0.00 C ATOM 0 H THR A 30 10.227 12.793 0.290 1.00 0.00 H new ATOM 0 HA THR A 30 12.471 14.650 0.649 1.00 0.00 H new ATOM 0 HB THR A 30 10.895 16.411 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.598 15.957 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.801 15.885 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.468 15.264 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.097 14.152 -1.508 1.00 0.00 H new ATOM 416 N MET A 31 10.087 13.977 2.852 1.00 0.00 N ATOM 417 CA MET A 31 9.765 13.997 4.274 1.00 0.00 C ATOM 418 C MET A 31 10.821 13.249 5.081 1.00 0.00 C ATOM 419 O MET A 31 11.584 13.854 5.834 1.00 0.00 O ATOM 420 CB MET A 31 8.388 13.375 4.515 1.00 0.00 C ATOM 421 CG MET A 31 7.248 14.164 3.891 1.00 0.00 C ATOM 422 SD MET A 31 5.650 13.784 4.636 1.00 0.00 S ATOM 423 CE MET A 31 4.548 14.690 3.555 1.00 0.00 C ATOM 0 H MET A 31 9.375 13.544 2.264 1.00 0.00 H new ATOM 0 HA MET A 31 9.750 15.036 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.381 12.362 4.113 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.218 13.293 5.589 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.449 15.230 3.996 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.206 13.951 2.823 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.515 14.511 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.766 15.756 3.624 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.691 14.356 2.527 1.00 0.00 H new ATOM 433 N SER A 32 10.859 11.930 4.920 1.00 0.00 N ATOM 434 CA SER A 32 11.819 11.099 5.637 1.00 0.00 C ATOM 435 C SER A 32 13.228 11.674 5.520 1.00 0.00 C ATOM 436 O SER A 32 13.640 12.168 4.470 1.00 0.00 O ATOM 437 CB SER A 32 11.793 9.669 5.096 1.00 0.00 C ATOM 438 OG SER A 32 12.132 8.735 6.106 1.00 0.00 O ATOM 0 H SER A 32 10.236 11.414 4.299 1.00 0.00 H new ATOM 0 HA SER A 32 11.536 11.086 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.801 9.443 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.491 9.579 4.264 1.00 0.00 H new ATOM 0 HG SER A 32 11.562 7.942 6.023 1.00 0.00 H new ATOM 444 N PRO A 33 13.987 11.608 6.625 1.00 0.00 N ATOM 445 CA PRO A 33 15.361 12.115 6.673 1.00 0.00 C ATOM 446 C PRO A 33 16.321 11.268 5.844 1.00 0.00 C ATOM 447 O PRO A 33 17.071 11.790 5.021 1.00 0.00 O ATOM 448 CB PRO A 33 15.719 12.030 8.159 1.00 0.00 C ATOM 449 CG PRO A 33 14.840 10.956 8.699 1.00 0.00 C ATOM 450 CD PRO A 33 13.561 11.032 7.911 1.00 0.00 C ATOM 0 HA PRO A 33 15.439 13.120 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.772 11.787 8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.540 12.979 8.664 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.308 9.977 8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.652 11.103 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.110 10.048 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.820 11.659 8.407 1.00 0.00 H new ATOM 458 N ASN A 34 16.291 9.958 6.068 1.00 0.00 N ATOM 459 CA ASN A 34 17.159 9.039 5.341 1.00 0.00 C ATOM 460 C ASN A 34 16.414 8.393 4.176 1.00 0.00 C ATOM 461 O ASN A 34 15.383 7.743 4.350 1.00 0.00 O ATOM 462 CB ASN A 34 17.693 7.957 6.282 1.00 0.00 C ATOM 463 CG ASN A 34 18.532 6.923 5.558 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.854 7.083 4.380 1.00 0.00 O ATOM 465 ND2 ASN A 34 18.892 5.855 6.260 1.00 0.00 N ATOM 0 H ASN A 34 15.675 9.510 6.747 1.00 0.00 H new ATOM 0 HA ASN A 34 17.997 9.610 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 34 18.292 8.423 7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.856 7.462 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.458 5.126 5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.603 5.764 7.234 1.00 0.00 H new ATOM 472 N PRO A 35 16.948 8.575 2.959 1.00 0.00 N ATOM 473 CA PRO A 35 16.351 8.018 1.742 1.00 0.00 C ATOM 474 C PRO A 35 16.477 6.499 1.678 1.00 0.00 C ATOM 475 O PRO A 35 15.630 5.821 1.096 1.00 0.00 O ATOM 476 CB PRO A 35 17.161 8.669 0.619 1.00 0.00 C ATOM 477 CG PRO A 35 18.472 9.003 1.243 1.00 0.00 C ATOM 478 CD PRO A 35 18.175 9.339 2.678 1.00 0.00 C ATOM 0 HA PRO A 35 15.281 8.218 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.285 7.990 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.664 9.562 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.162 8.162 1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.943 9.844 0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.992 9.045 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.023 10.409 2.817 1.00 0.00 H new ATOM 486 N ASP A 36 17.538 5.972 2.279 1.00 0.00 N ATOM 487 CA ASP A 36 17.774 4.533 2.291 1.00 0.00 C ATOM 488 C ASP A 36 16.648 3.804 3.017 1.00 0.00 C ATOM 489 O ASP A 36 16.203 2.742 2.583 1.00 0.00 O ATOM 490 CB ASP A 36 19.114 4.220 2.958 1.00 0.00 C ATOM 491 CG ASP A 36 19.317 2.735 3.180 1.00 0.00 C ATOM 492 OD1 ASP A 36 18.709 2.187 4.123 1.00 0.00 O ATOM 493 OD2 ASP A 36 20.084 2.119 2.410 1.00 0.00 O ATOM 0 H ASP A 36 18.248 6.520 2.764 1.00 0.00 H new ATOM 0 HA ASP A 36 17.801 4.186 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.924 4.606 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.170 4.738 3.915 1.00 0.00 H new ATOM 498 N ALA A 37 16.193 4.382 4.123 1.00 0.00 N ATOM 499 CA ALA A 37 15.118 3.788 4.909 1.00 0.00 C ATOM 500 C ALA A 37 13.759 4.052 4.268 1.00 0.00 C ATOM 501 O ALA A 37 12.842 3.239 4.379 1.00 0.00 O ATOM 502 CB ALA A 37 15.146 4.324 6.332 1.00 0.00 C ATOM 0 H ALA A 37 16.552 5.261 4.496 1.00 0.00 H new ATOM 0 HA ALA A 37 15.274 2.710 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.338 3.872 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.102 4.079 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.018 5.406 6.316 1.00 0.00 H new ATOM 508 N ALA A 38 13.638 5.194 3.599 1.00 0.00 N ATOM 509 CA ALA A 38 12.391 5.564 2.940 1.00 0.00 C ATOM 510 C ALA A 38 11.816 4.390 2.155 1.00 0.00 C ATOM 511 O ALA A 38 10.599 4.228 2.067 1.00 0.00 O ATOM 512 CB ALA A 38 12.614 6.757 2.023 1.00 0.00 C ATOM 0 H ALA A 38 14.388 5.878 3.499 1.00 0.00 H new ATOM 0 HA ALA A 38 11.670 5.840 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.675 7.023 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.972 7.604 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.354 6.500 1.265 1.00 0.00 H new ATOM 518 N GLU A 39 12.698 3.575 1.587 1.00 0.00 N ATOM 519 CA GLU A 39 12.276 2.417 0.808 1.00 0.00 C ATOM 520 C GLU A 39 11.244 1.593 1.573 1.00 0.00 C ATOM 521 O GLU A 39 10.246 1.150 1.007 1.00 0.00 O ATOM 522 CB GLU A 39 13.482 1.544 0.455 1.00 0.00 C ATOM 523 CG GLU A 39 14.351 2.123 -0.649 1.00 0.00 C ATOM 524 CD GLU A 39 15.498 1.208 -1.029 1.00 0.00 C ATOM 525 OE1 GLU A 39 15.371 -0.018 -0.825 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.523 1.716 -1.530 1.00 0.00 O ATOM 0 H GLU A 39 13.709 3.695 1.651 1.00 0.00 H new ATOM 0 HA GLU A 39 11.817 2.779 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.091 1.402 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.130 0.559 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.736 2.313 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.750 3.084 -0.326 1.00 0.00 H new ATOM 533 N GLU A 40 11.495 1.393 2.863 1.00 0.00 N ATOM 534 CA GLU A 40 10.589 0.621 3.706 1.00 0.00 C ATOM 535 C GLU A 40 9.217 1.286 3.781 1.00 0.00 C ATOM 536 O GLU A 40 8.200 0.615 3.956 1.00 0.00 O ATOM 537 CB GLU A 40 11.171 0.468 5.112 1.00 0.00 C ATOM 538 CG GLU A 40 12.663 0.181 5.125 1.00 0.00 C ATOM 539 CD GLU A 40 13.119 -0.480 6.412 1.00 0.00 C ATOM 540 OE1 GLU A 40 12.560 -1.538 6.767 1.00 0.00 O ATOM 541 OE2 GLU A 40 14.036 0.063 7.064 1.00 0.00 O ATOM 0 H GLU A 40 12.317 1.754 3.347 1.00 0.00 H new ATOM 0 HA GLU A 40 10.471 -0.367 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.980 1.381 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.650 -0.340 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.913 -0.463 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.210 1.114 4.986 1.00 0.00 H new ATOM 548 N GLU A 41 9.199 2.609 3.649 1.00 0.00 N ATOM 549 CA GLU A 41 7.953 3.364 3.703 1.00 0.00 C ATOM 550 C GLU A 41 7.241 3.339 2.353 1.00 0.00 C ATOM 551 O GLU A 41 7.878 3.413 1.302 1.00 0.00 O ATOM 552 CB GLU A 41 8.225 4.810 4.121 1.00 0.00 C ATOM 553 CG GLU A 41 8.623 4.958 5.580 1.00 0.00 C ATOM 554 CD GLU A 41 9.366 6.251 5.855 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.800 6.904 4.884 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.512 6.609 7.042 1.00 0.00 O ATOM 0 H GLU A 41 10.032 3.179 3.504 1.00 0.00 H new ATOM 0 HA GLU A 41 7.306 2.894 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.018 5.217 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.332 5.407 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.729 4.918 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.250 4.115 5.869 1.00 0.00 H new ATOM 563 N LEU A 42 5.918 3.232 2.391 1.00 0.00 N ATOM 564 CA LEU A 42 5.118 3.196 1.171 1.00 0.00 C ATOM 565 C LEU A 42 4.477 4.553 0.900 1.00 0.00 C ATOM 566 O LEU A 42 3.551 4.978 1.591 1.00 0.00 O ATOM 567 CB LEU A 42 4.036 2.120 1.279 1.00 0.00 C ATOM 568 CG LEU A 42 3.629 1.445 -0.031 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.642 0.318 0.233 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.034 2.463 -0.993 1.00 0.00 C ATOM 0 H LEU A 42 5.376 3.169 3.253 1.00 0.00 H new ATOM 0 HA LEU A 42 5.779 2.955 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.384 1.351 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.148 2.569 1.724 1.00 0.00 H new ATOM 0 HG LEU A 42 4.521 1.019 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.364 -0.151 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.103 -0.424 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.751 0.720 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.750 1.965 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.153 2.919 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.772 3.236 -1.208 1.00 0.00 H new ATOM 582 N PRO A 43 4.978 5.250 -0.131 1.00 0.00 N ATOM 583 CA PRO A 43 4.467 6.568 -0.518 1.00 0.00 C ATOM 584 C PRO A 43 3.069 6.492 -1.122 1.00 0.00 C ATOM 585 O PRO A 43 2.732 5.533 -1.817 1.00 0.00 O ATOM 586 CB PRO A 43 5.476 7.046 -1.565 1.00 0.00 C ATOM 587 CG PRO A 43 6.059 5.795 -2.128 1.00 0.00 C ATOM 588 CD PRO A 43 6.082 4.804 -0.997 1.00 0.00 C ATOM 0 HA PRO A 43 4.372 7.236 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.991 7.640 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.245 7.674 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.459 5.425 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.063 5.971 -2.513 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.928 3.785 -1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.036 4.817 -0.470 1.00 0.00 H new ATOM 596 N PHE A 44 2.257 7.510 -0.853 1.00 0.00 N ATOM 597 CA PHE A 44 0.895 7.559 -1.369 1.00 0.00 C ATOM 598 C PHE A 44 0.350 8.984 -1.335 1.00 0.00 C ATOM 599 O PHE A 44 0.606 9.736 -0.394 1.00 0.00 O ATOM 600 CB PHE A 44 -0.014 6.634 -0.558 1.00 0.00 C ATOM 601 CG PHE A 44 0.105 6.828 0.927 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.463 7.931 1.542 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.784 5.906 1.707 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.354 8.113 2.908 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.896 6.082 3.073 1.00 0.00 C ATOM 606 CZ PHE A 44 0.325 7.186 3.675 1.00 0.00 C ATOM 0 H PHE A 44 2.520 8.312 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 44 0.914 7.221 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.049 6.802 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.224 5.599 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.997 8.657 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.231 5.040 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.799 8.979 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.430 5.357 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.409 7.324 4.743 1.00 0.00 H new ATOM 616 N LYS A 45 -0.402 9.349 -2.367 1.00 0.00 N ATOM 617 CA LYS A 45 -0.984 10.683 -2.457 1.00 0.00 C ATOM 618 C LYS A 45 -2.315 10.746 -1.715 1.00 0.00 C ATOM 619 O LYS A 45 -2.941 9.719 -1.456 1.00 0.00 O ATOM 620 CB LYS A 45 -1.185 11.077 -3.922 1.00 0.00 C ATOM 621 CG LYS A 45 0.109 11.157 -4.713 1.00 0.00 C ATOM 622 CD LYS A 45 0.957 12.339 -4.277 1.00 0.00 C ATOM 623 CE LYS A 45 2.414 12.158 -4.675 1.00 0.00 C ATOM 624 NZ LYS A 45 2.682 12.672 -6.047 1.00 0.00 N ATOM 0 H LYS A 45 -0.623 8.739 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.294 11.386 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.847 10.353 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.687 12.044 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.674 10.234 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.118 11.243 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.567 13.253 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.886 12.459 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.053 12.678 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.675 11.101 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.685 12.530 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.091 12.159 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.457 13.687 -6.088 1.00 0.00 H new ATOM 638 N GLU A 46 -2.743 11.959 -1.378 1.00 0.00 N ATOM 639 CA GLU A 46 -4.001 12.155 -0.667 1.00 0.00 C ATOM 640 C GLU A 46 -5.168 11.567 -1.455 1.00 0.00 C ATOM 641 O GLU A 46 -5.273 11.759 -2.665 1.00 0.00 O ATOM 642 CB GLU A 46 -4.241 13.644 -0.412 1.00 0.00 C ATOM 643 CG GLU A 46 -5.469 13.925 0.439 1.00 0.00 C ATOM 644 CD GLU A 46 -5.798 15.403 0.518 1.00 0.00 C ATOM 645 OE1 GLU A 46 -4.864 16.226 0.417 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.990 15.737 0.682 1.00 0.00 O ATOM 0 H GLU A 46 -2.237 12.820 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.934 11.637 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.364 14.066 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.347 14.156 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.323 13.388 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.305 13.539 1.445 1.00 0.00 H new ATOM 653 N GLY A 47 -6.043 10.849 -0.758 1.00 0.00 N ATOM 654 CA GLY A 47 -7.191 10.244 -1.407 1.00 0.00 C ATOM 655 C GLY A 47 -6.853 8.922 -2.069 1.00 0.00 C ATOM 656 O GLY A 47 -7.718 8.279 -2.662 1.00 0.00 O ATOM 0 H GLY A 47 -5.977 10.675 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.980 10.087 -0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.585 10.931 -2.155 1.00 0.00 H new ATOM 660 N GLN A 48 -5.591 8.518 -1.968 1.00 0.00 N ATOM 661 CA GLN A 48 -5.141 7.266 -2.564 1.00 0.00 C ATOM 662 C GLN A 48 -5.635 6.070 -1.758 1.00 0.00 C ATOM 663 O GLN A 48 -5.808 6.159 -0.541 1.00 0.00 O ATOM 664 CB GLN A 48 -3.614 7.239 -2.654 1.00 0.00 C ATOM 665 CG GLN A 48 -3.066 5.998 -3.340 1.00 0.00 C ATOM 666 CD GLN A 48 -1.600 6.130 -3.701 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.236 6.889 -4.600 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.748 5.389 -3.002 1.00 0.00 N ATOM 0 H GLN A 48 -4.863 9.039 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.559 7.201 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.275 8.122 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.198 7.302 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.199 5.137 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.643 5.803 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.093 4.773 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.251 5.436 -3.202 1.00 0.00 H new ATOM 677 N ILE A 49 -5.862 4.954 -2.442 1.00 0.00 N ATOM 678 CA ILE A 49 -6.336 3.741 -1.788 1.00 0.00 C ATOM 679 C ILE A 49 -5.197 2.750 -1.575 1.00 0.00 C ATOM 680 O ILE A 49 -4.548 2.321 -2.529 1.00 0.00 O ATOM 681 CB ILE A 49 -7.449 3.059 -2.606 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.596 4.037 -2.863 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.954 1.820 -1.882 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.524 4.205 -1.680 1.00 0.00 C ATOM 0 H ILE A 49 -5.725 4.865 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.739 4.041 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.037 2.752 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.181 5.009 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.173 3.691 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.740 1.349 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.132 1.117 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.353 2.105 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.313 4.913 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.968 3.242 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.961 4.581 -0.826 1.00 0.00 H new ATOM 696 N ILE A 50 -4.961 2.390 -0.318 1.00 0.00 N ATOM 697 CA ILE A 50 -3.902 1.447 0.020 1.00 0.00 C ATOM 698 C ILE A 50 -4.479 0.144 0.563 1.00 0.00 C ATOM 699 O ILE A 50 -5.322 0.151 1.460 1.00 0.00 O ATOM 700 CB ILE A 50 -2.932 2.039 1.060 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.303 3.328 0.528 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.855 1.026 1.417 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.949 4.320 1.613 1.00 0.00 C ATOM 0 H ILE A 50 -5.489 2.737 0.483 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.355 1.243 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.493 2.277 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.402 3.079 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.994 3.798 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.178 1.459 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.320 0.132 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.295 0.759 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.508 5.209 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.850 4.599 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.234 3.868 2.300 1.00 0.00 H new ATOM 715 N LYS A 51 -4.017 -0.975 0.015 1.00 0.00 N ATOM 716 CA LYS A 51 -4.483 -2.287 0.445 1.00 0.00 C ATOM 717 C LYS A 51 -3.684 -2.782 1.646 1.00 0.00 C ATOM 718 O LYS A 51 -2.607 -3.358 1.493 1.00 0.00 O ATOM 719 CB LYS A 51 -4.373 -3.292 -0.704 1.00 0.00 C ATOM 720 CG LYS A 51 -5.347 -3.028 -1.839 1.00 0.00 C ATOM 721 CD LYS A 51 -5.218 -4.069 -2.938 1.00 0.00 C ATOM 722 CE LYS A 51 -6.357 -3.965 -3.941 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.266 -2.722 -4.756 1.00 0.00 N ATOM 0 H LYS A 51 -3.319 -0.999 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.528 -2.195 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.356 -3.272 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.545 -4.296 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.366 -3.030 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.165 -2.036 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.266 -3.940 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.210 -5.066 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.341 -4.833 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.310 -3.984 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.060 -2.688 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.306 -1.893 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.368 -2.716 -5.281 1.00 0.00 H new ATOM 737 N VAL A 52 -4.219 -2.555 2.842 1.00 0.00 N ATOM 738 CA VAL A 52 -3.556 -2.980 4.069 1.00 0.00 C ATOM 739 C VAL A 52 -3.782 -4.465 4.329 1.00 0.00 C ATOM 740 O VAL A 52 -4.826 -5.016 3.979 1.00 0.00 O ATOM 741 CB VAL A 52 -4.055 -2.176 5.284 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.472 -2.737 6.572 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.706 -0.704 5.127 1.00 0.00 C ATOM 0 H VAL A 52 -5.110 -2.079 2.987 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.490 -2.795 3.933 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.140 -2.265 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.836 -2.156 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.778 -3.777 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.384 -2.681 6.534 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.066 -0.150 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.625 -0.593 5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.177 -0.312 4.225 1.00 0.00 H new ATOM 753 N TYR A 53 -2.796 -5.109 4.945 1.00 0.00 N ATOM 754 CA TYR A 53 -2.886 -6.531 5.251 1.00 0.00 C ATOM 755 C TYR A 53 -2.453 -6.808 6.687 1.00 0.00 C ATOM 756 O TYR A 53 -1.431 -6.303 7.148 1.00 0.00 O ATOM 757 CB TYR A 53 -2.021 -7.338 4.281 1.00 0.00 C ATOM 758 CG TYR A 53 -2.427 -7.183 2.833 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.535 -7.851 2.326 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.704 -6.366 1.972 1.00 0.00 C ATOM 761 CE1 TYR A 53 -3.909 -7.712 1.004 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.072 -6.221 0.649 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.175 -6.896 0.169 1.00 0.00 C ATOM 764 OH TYR A 53 -3.546 -6.754 -1.148 1.00 0.00 O ATOM 0 H TYR A 53 -1.925 -4.668 5.242 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.927 -6.836 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.981 -7.030 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.072 -8.392 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.113 -8.490 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.840 -5.836 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.772 -8.240 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.499 -5.582 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.925 -6.144 -1.599 1.00 0.00 H new ATOM 774 N GLY A 54 -3.241 -7.617 7.390 1.00 0.00 N ATOM 775 CA GLY A 54 -2.924 -7.948 8.767 1.00 0.00 C ATOM 776 C GLY A 54 -3.029 -6.751 9.691 1.00 0.00 C ATOM 777 O GLY A 54 -3.883 -5.885 9.501 1.00 0.00 O ATOM 0 H GLY A 54 -4.092 -8.048 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.599 -8.731 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.913 -8.353 8.816 1.00 0.00 H new ATOM 781 N ASP A 55 -2.160 -6.702 10.694 1.00 0.00 N ATOM 782 CA ASP A 55 -2.159 -5.602 11.652 1.00 0.00 C ATOM 783 C ASP A 55 -0.856 -4.812 11.571 1.00 0.00 C ATOM 784 O ASP A 55 -0.001 -5.089 10.730 1.00 0.00 O ATOM 785 CB ASP A 55 -2.360 -6.134 13.072 1.00 0.00 C ATOM 786 CG ASP A 55 -3.799 -6.522 13.347 1.00 0.00 C ATOM 787 OD1 ASP A 55 -4.491 -6.946 12.397 1.00 0.00 O ATOM 788 OD2 ASP A 55 -4.233 -6.404 14.511 1.00 0.00 O ATOM 0 H ASP A 55 -1.447 -7.411 10.865 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.984 -4.935 11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.717 -7.001 13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.048 -5.374 13.789 1.00 0.00 H new ATOM 793 N LYS A 56 -0.713 -3.826 12.449 1.00 0.00 N ATOM 794 CA LYS A 56 0.485 -2.994 12.478 1.00 0.00 C ATOM 795 C LYS A 56 1.430 -3.441 13.589 1.00 0.00 C ATOM 796 O LYS A 56 1.003 -3.693 14.716 1.00 0.00 O ATOM 797 CB LYS A 56 0.106 -1.525 12.676 1.00 0.00 C ATOM 798 CG LYS A 56 -0.500 -1.231 14.037 1.00 0.00 C ATOM 799 CD LYS A 56 -1.079 0.173 14.099 1.00 0.00 C ATOM 800 CE LYS A 56 -1.396 0.583 15.529 1.00 0.00 C ATOM 801 NZ LYS A 56 -2.205 1.832 15.581 1.00 0.00 N ATOM 0 H LYS A 56 -1.412 -3.583 13.151 1.00 0.00 H new ATOM 0 HA LYS A 56 0.998 -3.104 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.995 -0.908 12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.603 -1.234 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.283 -1.958 14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.262 -1.346 14.808 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.371 0.879 13.666 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.986 0.221 13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.938 -0.222 16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.467 0.729 16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.707 2.545 16.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.344 2.196 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.130 1.629 16.011 1.00 0.00 H new ATOM 815 N ASP A 57 2.715 -3.534 13.264 1.00 0.00 N ATOM 816 CA ASP A 57 3.721 -3.947 14.236 1.00 0.00 C ATOM 817 C ASP A 57 3.785 -2.966 15.402 1.00 0.00 C ATOM 818 O ASP A 57 3.030 -1.996 15.452 1.00 0.00 O ATOM 819 CB ASP A 57 5.092 -4.055 13.567 1.00 0.00 C ATOM 820 CG ASP A 57 5.083 -4.991 12.375 1.00 0.00 C ATOM 821 OD1 ASP A 57 4.976 -6.218 12.584 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.183 -4.497 11.232 1.00 0.00 O ATOM 0 H ASP A 57 3.084 -3.329 12.336 1.00 0.00 H new ATOM 0 HA ASP A 57 3.437 -4.925 14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.415 -3.065 13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.822 -4.407 14.296 1.00 0.00 H new ATOM 827 N ALA A 58 4.691 -3.228 16.339 1.00 0.00 N ATOM 828 CA ALA A 58 4.854 -2.368 17.505 1.00 0.00 C ATOM 829 C ALA A 58 4.981 -0.905 17.094 1.00 0.00 C ATOM 830 O ALA A 58 4.389 -0.022 17.715 1.00 0.00 O ATOM 831 CB ALA A 58 6.069 -2.799 18.312 1.00 0.00 C ATOM 0 H ALA A 58 5.323 -4.028 16.313 1.00 0.00 H new ATOM 0 HA ALA A 58 3.964 -2.467 18.127 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.179 -2.148 19.180 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.938 -3.829 18.645 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.962 -2.729 17.691 1.00 0.00 H new ATOM 837 N ASP A 59 5.757 -0.655 16.045 1.00 0.00 N ATOM 838 CA ASP A 59 5.962 0.702 15.551 1.00 0.00 C ATOM 839 C ASP A 59 4.627 1.383 15.265 1.00 0.00 C ATOM 840 O ASP A 59 4.454 2.570 15.538 1.00 0.00 O ATOM 841 CB ASP A 59 6.819 0.682 14.284 1.00 0.00 C ATOM 842 CG ASP A 59 6.475 -0.477 13.370 1.00 0.00 C ATOM 843 OD1 ASP A 59 5.411 -0.423 12.719 1.00 0.00 O ATOM 844 OD2 ASP A 59 7.270 -1.438 13.305 1.00 0.00 O ATOM 0 H ASP A 59 6.255 -1.374 15.520 1.00 0.00 H new ATOM 0 HA ASP A 59 6.481 1.269 16.323 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.685 1.619 13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.871 0.622 14.562 1.00 0.00 H new ATOM 849 N GLY A 60 3.686 0.623 14.713 1.00 0.00 N ATOM 850 CA GLY A 60 2.380 1.171 14.399 1.00 0.00 C ATOM 851 C GLY A 60 2.224 1.490 12.925 1.00 0.00 C ATOM 852 O GLY A 60 1.611 2.494 12.561 1.00 0.00 O ATOM 0 H GLY A 60 3.805 -0.362 14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.610 0.460 14.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.220 2.078 14.983 1.00 0.00 H new ATOM 856 N PHE A 61 2.781 0.635 12.074 1.00 0.00 N ATOM 857 CA PHE A 61 2.704 0.832 10.631 1.00 0.00 C ATOM 858 C PHE A 61 1.806 -0.220 9.986 1.00 0.00 C ATOM 859 O PHE A 61 1.857 -1.397 10.341 1.00 0.00 O ATOM 860 CB PHE A 61 4.102 0.775 10.012 1.00 0.00 C ATOM 861 CG PHE A 61 4.790 2.109 9.961 1.00 0.00 C ATOM 862 CD1 PHE A 61 4.537 2.996 8.927 1.00 0.00 C ATOM 863 CD2 PHE A 61 5.690 2.476 10.949 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.170 4.223 8.879 1.00 0.00 C ATOM 865 CE2 PHE A 61 6.326 3.703 10.905 1.00 0.00 C ATOM 866 CZ PHE A 61 6.064 4.578 9.869 1.00 0.00 C ATOM 0 H PHE A 61 3.291 -0.201 12.359 1.00 0.00 H new ATOM 0 HA PHE A 61 2.272 1.816 10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.716 0.080 10.585 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.027 0.375 9.001 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.837 2.725 8.150 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.897 1.796 11.762 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.965 4.905 8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.027 3.977 11.680 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.558 5.538 9.834 1.00 0.00 H new ATOM 876 N TYR A 62 0.984 0.215 9.037 1.00 0.00 N ATOM 877 CA TYR A 62 0.072 -0.687 8.344 1.00 0.00 C ATOM 878 C TYR A 62 0.635 -1.093 6.986 1.00 0.00 C ATOM 879 O TYR A 62 0.437 -0.402 5.987 1.00 0.00 O ATOM 880 CB TYR A 62 -1.295 -0.025 8.165 1.00 0.00 C ATOM 881 CG TYR A 62 -2.177 -0.115 9.389 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.395 -1.331 10.026 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.793 1.016 9.911 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.200 -1.418 11.144 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.599 0.939 11.030 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.800 -0.280 11.643 1.00 0.00 C ATOM 887 OH TYR A 62 -4.603 -0.362 12.758 1.00 0.00 O ATOM 0 H TYR A 62 0.931 1.186 8.730 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.043 -1.584 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.150 1.024 7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.807 -0.491 7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.926 -2.224 9.639 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.639 1.972 9.433 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.359 -2.372 11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.069 1.828 11.423 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.947 0.529 12.980 1.00 0.00 H new ATOM 897 N ARG A 63 1.338 -2.221 6.958 1.00 0.00 N ATOM 898 CA ARG A 63 1.931 -2.720 5.723 1.00 0.00 C ATOM 899 C ARG A 63 0.866 -2.920 4.649 1.00 0.00 C ATOM 900 O ARG A 63 0.179 -3.940 4.624 1.00 0.00 O ATOM 901 CB ARG A 63 2.663 -4.039 5.981 1.00 0.00 C ATOM 902 CG ARG A 63 3.802 -4.303 5.010 1.00 0.00 C ATOM 903 CD ARG A 63 4.569 -5.563 5.380 1.00 0.00 C ATOM 904 NE ARG A 63 5.538 -5.320 6.446 1.00 0.00 N ATOM 905 CZ ARG A 63 6.218 -6.285 7.055 1.00 0.00 C ATOM 906 NH1 ARG A 63 6.035 -7.551 6.706 1.00 0.00 N ATOM 907 NH2 ARG A 63 7.083 -5.985 8.015 1.00 0.00 N ATOM 0 H ARG A 63 1.511 -2.806 7.776 1.00 0.00 H new ATOM 0 HA ARG A 63 2.646 -1.978 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.057 -4.033 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.948 -4.859 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.405 -4.401 4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.481 -3.451 5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.867 -6.335 5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.086 -5.944 4.500 1.00 0.00 H new ATOM 0 HE ARG A 63 5.701 -4.357 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.371 -7.786 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.558 -8.290 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.227 -5.012 8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.604 -6.727 8.482 1.00 0.00 H new ATOM 921 N GLY A 64 0.734 -1.936 3.764 1.00 0.00 N ATOM 922 CA GLY A 64 -0.251 -2.022 2.701 1.00 0.00 C ATOM 923 C GLY A 64 0.384 -2.056 1.325 1.00 0.00 C ATOM 924 O GLY A 64 1.591 -1.862 1.187 1.00 0.00 O ATOM 0 H GLY A 64 1.291 -1.082 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.855 -2.918 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.926 -1.169 2.765 1.00 0.00 H new ATOM 928 N GLU A 65 -0.431 -2.306 0.305 1.00 0.00 N ATOM 929 CA GLU A 65 0.059 -2.367 -1.067 1.00 0.00 C ATOM 930 C GLU A 65 -0.755 -1.452 -1.977 1.00 0.00 C ATOM 931 O GLU A 65 -1.970 -1.604 -2.105 1.00 0.00 O ATOM 932 CB GLU A 65 0.002 -3.805 -1.588 1.00 0.00 C ATOM 933 CG GLU A 65 0.434 -3.943 -3.039 1.00 0.00 C ATOM 934 CD GLU A 65 0.340 -5.371 -3.542 1.00 0.00 C ATOM 935 OE1 GLU A 65 0.782 -6.286 -2.817 1.00 0.00 O ATOM 936 OE2 GLU A 65 -0.177 -5.572 -4.661 1.00 0.00 O ATOM 0 H GLU A 65 -1.433 -2.469 0.403 1.00 0.00 H new ATOM 0 HA GLU A 65 1.095 -2.027 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.640 -4.434 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.016 -4.181 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.188 -3.300 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.460 -3.592 -3.144 1.00 0.00 H new ATOM 943 N THR A 66 -0.075 -0.499 -2.608 1.00 0.00 N ATOM 944 CA THR A 66 -0.734 0.443 -3.505 1.00 0.00 C ATOM 945 C THR A 66 0.117 0.712 -4.740 1.00 0.00 C ATOM 946 O THR A 66 1.345 0.637 -4.688 1.00 0.00 O ATOM 947 CB THR A 66 -1.029 1.779 -2.798 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.634 2.696 -3.716 1.00 0.00 O ATOM 949 CG2 THR A 66 0.246 2.386 -2.233 1.00 0.00 C ATOM 0 H THR A 66 0.931 -0.359 -2.514 1.00 0.00 H new ATOM 0 HA THR A 66 -1.676 -0.015 -3.808 1.00 0.00 H new ATOM 0 HB THR A 66 -1.716 1.584 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.598 2.740 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.012 3.329 -1.739 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.688 1.698 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.953 2.567 -3.043 1.00 0.00 H new ATOM 957 N CYS A 67 -0.542 1.027 -5.850 1.00 0.00 N ATOM 958 CA CYS A 67 0.155 1.307 -7.100 1.00 0.00 C ATOM 959 C CYS A 67 1.157 0.204 -7.423 1.00 0.00 C ATOM 960 O CYS A 67 2.218 0.462 -7.991 1.00 0.00 O ATOM 961 CB CYS A 67 0.872 2.656 -7.017 1.00 0.00 C ATOM 962 SG CYS A 67 -0.159 4.069 -7.472 1.00 0.00 S ATOM 0 H CYS A 67 -1.558 1.095 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.585 1.345 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.237 2.799 -6.000 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.745 2.632 -7.669 1.00 0.00 H new ATOM 0 HG CYS A 67 0.535 5.164 -7.368 1.00 0.00 H new ATOM 968 N ALA A 68 0.814 -1.026 -7.056 1.00 0.00 N ATOM 969 CA ALA A 68 1.683 -2.169 -7.307 1.00 0.00 C ATOM 970 C ALA A 68 2.983 -2.054 -6.518 1.00 0.00 C ATOM 971 O ALA A 68 4.034 -2.516 -6.963 1.00 0.00 O ATOM 972 CB ALA A 68 1.976 -2.293 -8.795 1.00 0.00 C ATOM 0 H ALA A 68 -0.060 -1.257 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 68 1.164 -3.068 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.626 -3.151 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.042 -2.430 -9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.470 -1.387 -9.145 1.00 0.00 H new ATOM 978 N ARG A 69 2.905 -1.434 -5.345 1.00 0.00 N ATOM 979 CA ARG A 69 4.076 -1.256 -4.495 1.00 0.00 C ATOM 980 C ARG A 69 3.815 -1.790 -3.090 1.00 0.00 C ATOM 981 O ARG A 69 2.670 -1.844 -2.638 1.00 0.00 O ATOM 982 CB ARG A 69 4.464 0.222 -4.427 1.00 0.00 C ATOM 983 CG ARG A 69 5.867 0.460 -3.891 1.00 0.00 C ATOM 984 CD ARG A 69 6.353 1.865 -4.209 1.00 0.00 C ATOM 985 NE ARG A 69 6.400 2.116 -5.647 1.00 0.00 N ATOM 986 CZ ARG A 69 7.376 1.684 -6.437 1.00 0.00 C ATOM 987 NH1 ARG A 69 8.381 0.982 -5.931 1.00 0.00 N ATOM 988 NH2 ARG A 69 7.349 1.953 -7.736 1.00 0.00 N ATOM 0 H ARG A 69 2.043 -1.046 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 69 4.900 -1.821 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.387 0.655 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.749 0.748 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.877 0.306 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.552 -0.270 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.694 2.592 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.346 2.010 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 69 5.641 2.653 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.405 0.773 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.130 0.651 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.578 2.492 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.100 1.620 -8.341 1.00 0.00 H new ATOM 1002 N LEU A 70 4.882 -2.185 -2.404 1.00 0.00 N ATOM 1003 CA LEU A 70 4.768 -2.715 -1.050 1.00 0.00 C ATOM 1004 C LEU A 70 5.656 -1.937 -0.084 1.00 0.00 C ATOM 1005 O LEU A 70 6.850 -1.763 -0.325 1.00 0.00 O ATOM 1006 CB LEU A 70 5.147 -4.197 -1.028 1.00 0.00 C ATOM 1007 CG LEU A 70 4.434 -5.057 0.017 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.960 -4.691 0.093 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.604 -6.535 -0.303 1.00 0.00 C ATOM 0 H LEU A 70 5.836 -2.148 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 70 3.732 -2.606 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.946 -4.617 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.221 -4.274 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 70 4.886 -4.863 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.469 -5.313 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.859 -3.642 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.494 -4.856 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.090 -7.132 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.179 -6.746 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.664 -6.787 -0.305 1.00 0.00 H new ATOM 1021 N GLY A 71 5.064 -1.473 1.013 1.00 0.00 N ATOM 1022 CA GLY A 71 5.816 -0.721 2.000 1.00 0.00 C ATOM 1023 C GLY A 71 5.062 -0.560 3.305 1.00 0.00 C ATOM 1024 O GLY A 71 4.204 -1.378 3.639 1.00 0.00 O ATOM 0 H GLY A 71 4.077 -1.605 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.763 -1.225 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.054 0.264 1.598 1.00 0.00 H new ATOM 1028 N LEU A 72 5.383 0.495 4.046 1.00 0.00 N ATOM 1029 CA LEU A 72 4.731 0.759 5.323 1.00 0.00 C ATOM 1030 C LEU A 72 3.875 2.019 5.247 1.00 0.00 C ATOM 1031 O LEU A 72 4.218 2.973 4.547 1.00 0.00 O ATOM 1032 CB LEU A 72 5.775 0.905 6.431 1.00 0.00 C ATOM 1033 CG LEU A 72 6.643 -0.325 6.702 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.713 -0.007 7.734 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.783 -1.493 7.164 1.00 0.00 C ATOM 0 H LEU A 72 6.091 1.181 3.784 1.00 0.00 H new ATOM 0 HA LEU A 72 4.082 -0.086 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.430 1.739 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.261 1.173 7.354 1.00 0.00 H new ATOM 0 HG LEU A 72 7.137 -0.609 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.320 -0.894 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.347 0.798 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.239 0.303 8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.417 -2.360 7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.260 -1.220 8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.055 -1.737 6.390 1.00 0.00 H new ATOM 1047 N ILE A 73 2.762 2.017 5.973 1.00 0.00 N ATOM 1048 CA ILE A 73 1.859 3.162 5.989 1.00 0.00 C ATOM 1049 C ILE A 73 1.614 3.648 7.414 1.00 0.00 C ATOM 1050 O ILE A 73 1.275 2.875 8.310 1.00 0.00 O ATOM 1051 CB ILE A 73 0.507 2.822 5.335 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.683 2.610 3.830 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.505 3.925 5.606 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.208 1.238 3.470 1.00 0.00 C ATOM 0 H ILE A 73 2.464 1.236 6.557 1.00 0.00 H new ATOM 0 HA ILE A 73 2.342 3.953 5.415 1.00 0.00 H new ATOM 0 HB ILE A 73 0.131 1.897 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.276 2.765 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.367 3.365 3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.455 3.670 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.648 4.032 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.138 4.865 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.308 1.159 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.182 1.087 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.513 0.478 3.827 1.00 0.00 H new ATOM 1066 N PRO A 74 1.788 4.960 7.629 1.00 0.00 N ATOM 1067 CA PRO A 74 1.589 5.580 8.943 1.00 0.00 C ATOM 1068 C PRO A 74 0.121 5.607 9.354 1.00 0.00 C ATOM 1069 O PRO A 74 -0.683 6.339 8.775 1.00 0.00 O ATOM 1070 CB PRO A 74 2.115 7.004 8.747 1.00 0.00 C ATOM 1071 CG PRO A 74 1.971 7.263 7.287 1.00 0.00 C ATOM 1072 CD PRO A 74 2.192 5.940 6.607 1.00 0.00 C ATOM 0 HA PRO A 74 2.096 5.029 9.735 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.543 7.722 9.335 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.155 7.089 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.982 7.659 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.697 8.002 6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.591 5.848 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.233 5.808 6.313 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.223 4.806 10.357 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.595 4.738 10.846 1.00 0.00 C ATOM 1082 C CYS A 75 -2.077 6.110 11.307 1.00 0.00 C ATOM 1083 O CYS A 75 -3.266 6.314 11.544 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.700 3.735 11.995 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.220 3.879 12.965 1.00 0.00 S ATOM 0 H CYS A 75 0.430 4.195 10.847 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.231 4.407 10.025 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.635 2.726 11.589 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.845 3.867 12.658 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.801 5.010 12.696 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.143 7.048 11.433 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.472 8.400 11.868 1.00 0.00 C ATOM 1093 C ASN A 76 -2.060 9.214 10.719 1.00 0.00 C ATOM 1094 O ASN A 76 -3.040 9.936 10.895 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.226 9.099 12.417 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.568 10.292 13.288 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -0.636 10.182 14.512 1.00 0.00 O ATOM 1098 ND2 ASN A 76 -0.786 11.441 12.658 1.00 0.00 N ATOM 0 H ASN A 76 -0.153 6.896 11.240 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.219 8.328 12.659 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.361 8.386 12.996 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.399 9.427 11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.021 12.278 13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.719 11.486 11.641 1.00 0.00 H new ATOM 1105 N MET A 77 -1.454 9.089 9.543 1.00 0.00 N ATOM 1106 CA MET A 77 -1.919 9.811 8.364 1.00 0.00 C ATOM 1107 C MET A 77 -3.185 9.174 7.800 1.00 0.00 C ATOM 1108 O MET A 77 -4.282 9.712 7.948 1.00 0.00 O ATOM 1109 CB MET A 77 -0.827 9.839 7.293 1.00 0.00 C ATOM 1110 CG MET A 77 0.478 10.453 7.771 1.00 0.00 C ATOM 1111 SD MET A 77 0.546 12.235 7.504 1.00 0.00 S ATOM 1112 CE MET A 77 0.965 12.301 5.764 1.00 0.00 C ATOM 0 H MET A 77 -0.641 8.495 9.381 1.00 0.00 H new ATOM 0 HA MET A 77 -2.151 10.833 8.663 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.637 8.821 6.953 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.189 10.400 6.432 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.606 10.244 8.833 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.310 9.979 7.250 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.991 13.340 5.435 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.943 11.846 5.608 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.216 11.757 5.189 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.026 8.023 7.154 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.156 7.312 6.568 1.00 0.00 C ATOM 1124 C VAL A 78 -5.309 7.202 7.559 1.00 0.00 C ATOM 1125 O VAL A 78 -5.183 7.593 8.720 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.752 5.898 6.109 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.716 5.974 4.998 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.229 5.086 7.283 1.00 0.00 C ATOM 0 H VAL A 78 -2.125 7.563 7.023 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.479 7.889 5.702 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.636 5.396 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.442 4.966 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.132 6.516 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.830 6.494 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.948 4.090 6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.357 5.582 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.006 5.003 8.043 1.00 0.00 H new ATOM 1138 N SER A 79 -6.433 6.668 7.094 1.00 0.00 N ATOM 1139 CA SER A 79 -7.611 6.510 7.938 1.00 0.00 C ATOM 1140 C SER A 79 -8.438 5.305 7.498 1.00 0.00 C ATOM 1141 O SER A 79 -8.340 4.857 6.356 1.00 0.00 O ATOM 1142 CB SER A 79 -8.470 7.775 7.895 1.00 0.00 C ATOM 1143 OG SER A 79 -9.190 7.945 9.104 1.00 0.00 O ATOM 0 H SER A 79 -6.553 6.337 6.137 1.00 0.00 H new ATOM 0 HA SER A 79 -7.274 6.343 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.835 8.644 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.166 7.717 7.059 1.00 0.00 H new ATOM 0 HG SER A 79 -9.730 8.761 9.051 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.251 4.787 8.413 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.094 3.634 8.119 1.00 0.00 C ATOM 1151 C GLU A 80 -11.403 4.069 7.465 1.00 0.00 C ATOM 1152 O GLU A 80 -12.077 4.979 7.948 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.387 2.849 9.400 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.510 1.837 9.250 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.910 1.208 10.571 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -11.034 1.072 11.451 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -13.097 0.853 10.724 1.00 0.00 O ATOM 0 H GLU A 80 -9.344 5.147 9.363 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.556 2.991 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.481 2.330 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.644 3.549 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.378 2.326 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.198 1.054 8.559 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.754 3.412 6.365 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.981 3.730 5.646 1.00 0.00 C ATOM 1166 C ILE A 81 -14.162 2.937 6.195 1.00 0.00 C ATOM 1167 O ILE A 81 -14.041 1.747 6.485 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.841 3.443 4.139 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.402 3.691 3.682 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.811 4.304 3.343 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.261 3.841 2.184 1.00 0.00 C ATOM 0 H ILE A 81 -11.206 2.657 5.952 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.163 4.795 5.790 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.084 2.396 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.026 4.592 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.776 2.864 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.700 4.090 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.832 4.083 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.596 5.357 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.215 4.014 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.606 2.931 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.860 4.686 1.845 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.303 3.604 6.334 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.506 2.960 6.847 1.00 0.00 C ATOM 1185 C GLN A 82 -16.893 1.763 5.986 1.00 0.00 C ATOM 1186 O GLN A 82 -16.372 1.584 4.885 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.662 3.961 6.899 1.00 0.00 C ATOM 1188 CG GLN A 82 -17.719 4.758 8.192 1.00 0.00 C ATOM 1189 CD GLN A 82 -18.357 6.121 8.010 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -18.334 6.689 6.917 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -18.930 6.655 9.082 1.00 0.00 N ATOM 0 H GLN A 82 -15.420 4.590 6.099 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.296 2.605 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.572 4.651 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.602 3.425 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.281 4.195 8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.709 4.883 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.926 6.149 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.374 7.571 9.020 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.809 0.946 6.494 1.00 0.00 N ATOM 1201 CA ALA A 83 -18.267 -0.234 5.770 1.00 0.00 C ATOM 1202 C ALA A 83 -18.784 0.138 4.385 1.00 0.00 C ATOM 1203 O ALA A 83 -19.521 1.112 4.228 1.00 0.00 O ATOM 1204 CB ALA A 83 -19.348 -0.954 6.563 1.00 0.00 C ATOM 0 H ALA A 83 -18.249 1.079 7.404 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.417 -0.905 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.680 -1.833 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.947 -1.263 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -20.193 -0.283 6.719 1.00 0.00 H new ATOM 1210 N ASP A 84 -18.392 -0.642 3.383 1.00 0.00 N ATOM 1211 CA ASP A 84 -18.817 -0.394 2.010 1.00 0.00 C ATOM 1212 C ASP A 84 -20.128 -1.112 1.709 1.00 0.00 C ATOM 1213 O ASP A 84 -20.387 -1.501 0.570 1.00 0.00 O ATOM 1214 CB ASP A 84 -17.735 -0.849 1.029 1.00 0.00 C ATOM 1215 CG ASP A 84 -17.736 -0.037 -0.251 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -18.783 0.562 -0.572 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -16.689 0.000 -0.931 1.00 0.00 O ATOM 0 H ASP A 84 -17.781 -1.451 3.496 1.00 0.00 H new ATOM 0 HA ASP A 84 -18.976 0.678 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.758 -0.768 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.886 -1.901 0.788 1.00 0.00 H new ATOM 1222 N ASP A 85 -20.951 -1.286 2.737 1.00 0.00 N ATOM 1223 CA ASP A 85 -22.237 -1.958 2.583 1.00 0.00 C ATOM 1224 C ASP A 85 -22.896 -1.573 1.262 1.00 0.00 C ATOM 1225 O ASP A 85 -22.954 -0.396 0.907 1.00 0.00 O ATOM 1226 CB ASP A 85 -23.162 -1.609 3.750 1.00 0.00 C ATOM 1227 CG ASP A 85 -22.446 -1.642 5.086 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -21.757 -2.644 5.364 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -22.577 -0.665 5.853 1.00 0.00 O ATOM 0 H ASP A 85 -20.751 -0.971 3.686 1.00 0.00 H new ATOM 0 HA ASP A 85 -22.059 -3.033 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -23.584 -0.616 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.996 -2.310 3.771 1.00 0.00 H new ATOM 1234 N GLU A 86 -23.390 -2.574 0.539 1.00 0.00 N ATOM 1235 CA GLU A 86 -24.043 -2.339 -0.743 1.00 0.00 C ATOM 1236 C GLU A 86 -25.380 -1.630 -0.551 1.00 0.00 C ATOM 1237 O GLU A 86 -25.841 -1.448 0.575 1.00 0.00 O ATOM 1238 CB GLU A 86 -24.256 -3.662 -1.482 1.00 0.00 C ATOM 1239 CG GLU A 86 -25.127 -4.649 -0.723 1.00 0.00 C ATOM 1240 CD GLU A 86 -25.062 -6.049 -1.302 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -24.914 -6.175 -2.536 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -25.160 -7.018 -0.521 1.00 0.00 O ATOM 0 H GLU A 86 -23.350 -3.554 0.819 1.00 0.00 H new ATOM 0 HA GLU A 86 -23.394 -1.698 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -24.712 -3.458 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -23.286 -4.120 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -24.814 -4.677 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -26.160 -4.302 -0.737 1.00 0.00 H new ATOM 1249 N GLU A 87 -25.997 -1.232 -1.659 1.00 0.00 N ATOM 1250 CA GLU A 87 -27.281 -0.542 -1.612 1.00 0.00 C ATOM 1251 C GLU A 87 -28.139 -0.905 -2.821 1.00 0.00 C ATOM 1252 O GLU A 87 -27.624 -1.332 -3.854 1.00 0.00 O ATOM 1253 CB GLU A 87 -27.069 0.973 -1.560 1.00 0.00 C ATOM 1254 CG GLU A 87 -28.187 1.720 -0.852 1.00 0.00 C ATOM 1255 CD GLU A 87 -28.286 3.169 -1.286 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -28.645 3.414 -2.456 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -28.004 4.058 -0.455 1.00 0.00 O ATOM 0 H GLU A 87 -25.629 -1.375 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 87 -27.803 -0.860 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -26.126 1.182 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -26.976 1.354 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -29.135 1.220 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -28.022 1.677 0.225 1.00 0.00 H new ATOM 1264 N MET A 88 -29.449 -0.733 -2.682 1.00 0.00 N ATOM 1265 CA MET A 88 -30.379 -1.042 -3.763 1.00 0.00 C ATOM 1266 C MET A 88 -31.003 0.231 -4.324 1.00 0.00 C ATOM 1267 O MET A 88 -31.262 1.183 -3.588 1.00 0.00 O ATOM 1268 CB MET A 88 -31.475 -1.986 -3.266 1.00 0.00 C ATOM 1269 CG MET A 88 -30.945 -3.306 -2.729 1.00 0.00 C ATOM 1270 SD MET A 88 -30.732 -4.546 -4.020 1.00 0.00 S ATOM 1271 CE MET A 88 -32.219 -5.521 -3.801 1.00 0.00 C ATOM 0 H MET A 88 -29.891 -0.382 -1.833 1.00 0.00 H new ATOM 0 HA MET A 88 -29.821 -1.533 -4.560 1.00 0.00 H new ATOM 0 HB2 MET A 88 -32.044 -1.487 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 88 -32.167 -2.188 -4.083 1.00 0.00 H new ATOM 0 HG2 MET A 88 -29.989 -3.135 -2.234 1.00 0.00 H new ATOM 0 HG3 MET A 88 -31.631 -3.688 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 88 -32.233 -6.331 -4.530 1.00 0.00 H new ATOM 0 HE2 MET A 88 -32.235 -5.938 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 88 -33.094 -4.887 -3.945 1.00 0.00 H new ATOM 1281 N MET A 89 -31.242 0.241 -5.631 1.00 0.00 N ATOM 1282 CA MET A 89 -31.837 1.398 -6.290 1.00 0.00 C ATOM 1283 C MET A 89 -33.280 1.112 -6.693 1.00 0.00 C ATOM 1284 O MET A 89 -33.574 0.074 -7.287 1.00 0.00 O ATOM 1285 CB MET A 89 -31.019 1.788 -7.522 1.00 0.00 C ATOM 1286 CG MET A 89 -29.806 2.645 -7.200 1.00 0.00 C ATOM 1287 SD MET A 89 -28.829 3.044 -8.662 1.00 0.00 S ATOM 1288 CE MET A 89 -29.977 4.083 -9.563 1.00 0.00 C ATOM 0 H MET A 89 -31.033 -0.539 -6.255 1.00 0.00 H new ATOM 0 HA MET A 89 -31.833 2.228 -5.583 1.00 0.00 H new ATOM 0 HB2 MET A 89 -30.689 0.882 -8.030 1.00 0.00 H new ATOM 0 HB3 MET A 89 -31.661 2.328 -8.218 1.00 0.00 H new ATOM 0 HG2 MET A 89 -30.135 3.569 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 89 -29.177 2.122 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 89 -29.437 4.648 -10.323 1.00 0.00 H new ATOM 0 HE2 MET A 89 -30.732 3.460 -10.042 1.00 0.00 H new ATOM 0 HE3 MET A 89 -30.461 4.774 -8.873 1.00 0.00 H new ATOM 1298 N ASP A 90 -34.176 2.037 -6.367 1.00 0.00 N ATOM 1299 CA ASP A 90 -35.588 1.884 -6.696 1.00 0.00 C ATOM 1300 C ASP A 90 -35.822 2.078 -8.191 1.00 0.00 C ATOM 1301 O ASP A 90 -35.069 2.786 -8.859 1.00 0.00 O ATOM 1302 CB ASP A 90 -36.430 2.884 -5.902 1.00 0.00 C ATOM 1303 CG ASP A 90 -36.062 4.322 -6.207 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -34.902 4.706 -5.950 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -36.935 5.064 -6.705 1.00 0.00 O ATOM 0 H ASP A 90 -33.949 2.901 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 90 -35.890 0.872 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -37.485 2.726 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -36.301 2.697 -4.836 1.00 0.00 H new ATOM 1310 N GLN A 91 -36.868 1.442 -8.708 1.00 0.00 N ATOM 1311 CA GLN A 91 -37.199 1.544 -10.125 1.00 0.00 C ATOM 1312 C GLN A 91 -37.358 3.002 -10.543 1.00 0.00 C ATOM 1313 O GLN A 91 -37.930 3.810 -9.811 1.00 0.00 O ATOM 1314 CB GLN A 91 -38.484 0.771 -10.427 1.00 0.00 C ATOM 1315 CG GLN A 91 -39.657 1.174 -9.547 1.00 0.00 C ATOM 1316 CD GLN A 91 -39.733 0.363 -8.269 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -39.327 0.825 -7.202 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -40.256 -0.854 -8.369 1.00 0.00 N ATOM 0 H GLN A 91 -37.500 0.851 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 91 -36.379 1.109 -10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -38.754 0.925 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -38.295 -0.295 -10.301 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -39.572 2.232 -9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -40.585 1.052 -10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -40.580 -1.197 -9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -40.334 -1.445 -7.542 1.00 0.00 H new ATOM 1327 N SER A 92 -36.848 3.332 -11.726 1.00 0.00 N ATOM 1328 CA SER A 92 -36.930 4.694 -12.240 1.00 0.00 C ATOM 1329 C SER A 92 -36.790 4.710 -13.759 1.00 0.00 C ATOM 1330 O SER A 92 -36.315 3.748 -14.360 1.00 0.00 O ATOM 1331 CB SER A 92 -35.845 5.567 -11.607 1.00 0.00 C ATOM 1332 OG SER A 92 -35.976 6.918 -12.013 1.00 0.00 O ATOM 0 H SER A 92 -36.374 2.675 -12.346 1.00 0.00 H new ATOM 0 HA SER A 92 -37.908 5.097 -11.978 1.00 0.00 H new ATOM 0 HB2 SER A 92 -35.910 5.503 -10.521 1.00 0.00 H new ATOM 0 HB3 SER A 92 -34.861 5.193 -11.890 1.00 0.00 H new ATOM 0 HG SER A 92 -35.272 7.455 -11.593 1.00 0.00 H new ATOM 1338 N GLY A 93 -37.207 5.813 -14.374 1.00 0.00 N ATOM 1339 CA GLY A 93 -37.120 5.935 -15.818 1.00 0.00 C ATOM 1340 C GLY A 93 -36.952 7.373 -16.269 1.00 0.00 C ATOM 1341 O GLY A 93 -37.901 8.023 -16.708 1.00 0.00 O ATOM 0 H GLY A 93 -37.603 6.624 -13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -36.279 5.343 -16.180 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -38.020 5.519 -16.270 1.00 0.00 H new ATOM 1345 N PRO A 94 -35.719 7.891 -16.160 1.00 0.00 N ATOM 1346 CA PRO A 94 -35.401 9.266 -16.554 1.00 0.00 C ATOM 1347 C PRO A 94 -35.458 9.465 -18.065 1.00 0.00 C ATOM 1348 O PRO A 94 -35.005 8.613 -18.830 1.00 0.00 O ATOM 1349 CB PRO A 94 -33.972 9.460 -16.043 1.00 0.00 C ATOM 1350 CG PRO A 94 -33.398 8.086 -15.992 1.00 0.00 C ATOM 1351 CD PRO A 94 -34.541 7.173 -15.645 1.00 0.00 C ATOM 0 HA PRO A 94 -36.115 9.982 -16.146 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -33.398 10.104 -16.709 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -33.964 9.929 -15.059 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -32.956 7.812 -16.950 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -32.606 8.021 -15.246 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -34.430 6.195 -16.113 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -34.610 7.006 -14.570 1.00 0.00 H new ATOM 1359 N SER A 95 -36.018 10.593 -18.489 1.00 0.00 N ATOM 1360 CA SER A 95 -36.136 10.902 -19.909 1.00 0.00 C ATOM 1361 C SER A 95 -35.196 12.038 -20.299 1.00 0.00 C ATOM 1362 O SER A 95 -34.974 12.968 -19.524 1.00 0.00 O ATOM 1363 CB SER A 95 -37.579 11.278 -20.252 1.00 0.00 C ATOM 1364 OG SER A 95 -38.439 10.157 -20.137 1.00 0.00 O ATOM 0 H SER A 95 -36.397 11.309 -17.869 1.00 0.00 H new ATOM 0 HA SER A 95 -35.855 10.013 -20.473 1.00 0.00 H new ATOM 0 HB2 SER A 95 -37.919 12.071 -19.587 1.00 0.00 H new ATOM 0 HB3 SER A 95 -37.624 11.672 -21.267 1.00 0.00 H new ATOM 0 HG SER A 95 -39.355 10.424 -20.360 1.00 0.00 H new ATOM 1370 N SER A 96 -34.646 11.955 -21.506 1.00 0.00 N ATOM 1371 CA SER A 96 -33.727 12.974 -21.999 1.00 0.00 C ATOM 1372 C SER A 96 -34.347 14.364 -21.891 1.00 0.00 C ATOM 1373 O SER A 96 -35.566 14.507 -21.807 1.00 0.00 O ATOM 1374 CB SER A 96 -33.344 12.686 -23.452 1.00 0.00 C ATOM 1375 OG SER A 96 -34.496 12.509 -24.257 1.00 0.00 O ATOM 0 H SER A 96 -34.821 11.193 -22.161 1.00 0.00 H new ATOM 0 HA SER A 96 -32.829 12.947 -21.382 1.00 0.00 H new ATOM 0 HB2 SER A 96 -32.746 13.509 -23.844 1.00 0.00 H new ATOM 0 HB3 SER A 96 -32.724 11.791 -23.497 1.00 0.00 H new ATOM 0 HG SER A 96 -34.225 12.328 -25.181 1.00 0.00 H new ATOM 1381 N GLY A 97 -33.497 15.386 -21.893 1.00 0.00 N ATOM 1382 CA GLY A 97 -33.979 16.752 -21.794 1.00 0.00 C ATOM 1383 C GLY A 97 -32.976 17.673 -21.129 1.00 0.00 C ATOM 1384 O GLY A 97 -32.383 17.323 -20.109 1.00 0.00 O ATOM 0 H GLY A 97 -32.484 15.293 -21.961 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -34.206 17.127 -22.792 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -34.911 16.765 -21.228 1.00 0.00 H new TER 1388 GLY A 97