USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.936 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= 0.00204 (180deg=-0.00787) USER MOD Single : A 32 HIS : no HD1:sc= -7! C(o=-7!,f=-6.8!) USER MOD Single : A 33 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.8!) USER MOD Single : A 39 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-0.66) USER MOD Single : A 47 ASN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 0.472 (180deg=0.166) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00481) USER MOD Single : A 55 ASN : amide:sc= -14.1! C(o=-14!,f=-19!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.51) USER MOD Single : A 69 SER OG : rot -166:sc= -2.7! USER MOD Single : A 79 ASN : amide:sc= -0.31 K(o=-0.31,f=-7.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.18) USER MOD Single : A 94 GLN : amide:sc=-0.000789 X(o=-0.00079,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -9:sc= 0.419 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.132 22.485 -13.878 1.00 0.00 N ATOM 2 CA GLY A 1 1.822 22.355 -14.491 1.00 0.00 C ATOM 3 C GLY A 1 1.677 21.069 -15.280 1.00 0.00 C ATOM 4 O GLY A 1 1.722 19.977 -14.715 1.00 0.00 O ATOM 0 H1 GLY A 1 3.181 23.380 -13.350 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.291 21.690 -13.227 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.863 22.479 -14.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.056 22.391 -13.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.647 23.205 -15.151 1.00 0.00 H new ATOM 8 N SER A 2 1.500 21.199 -16.591 1.00 0.00 N ATOM 9 CA SER A 2 1.341 20.038 -17.459 1.00 0.00 C ATOM 10 C SER A 2 1.541 20.422 -18.922 1.00 0.00 C ATOM 11 O SER A 2 1.623 21.603 -19.260 1.00 0.00 O ATOM 12 CB SER A 2 -0.044 19.417 -17.268 1.00 0.00 C ATOM 13 OG SER A 2 -0.024 18.028 -17.551 1.00 0.00 O ATOM 0 H SER A 2 1.463 22.096 -17.075 1.00 0.00 H new ATOM 0 HA SER A 2 2.100 19.305 -17.186 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.380 19.578 -16.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.762 19.914 -17.921 1.00 0.00 H new ATOM 0 HG SER A 2 -0.920 17.654 -17.420 1.00 0.00 H new ATOM 19 N SER A 3 1.619 19.415 -19.787 1.00 0.00 N ATOM 20 CA SER A 3 1.813 19.646 -21.213 1.00 0.00 C ATOM 21 C SER A 3 1.391 18.424 -22.024 1.00 0.00 C ATOM 22 O SER A 3 1.407 17.299 -21.526 1.00 0.00 O ATOM 23 CB SER A 3 3.277 19.983 -21.502 1.00 0.00 C ATOM 24 OG SER A 3 3.400 20.744 -22.692 1.00 0.00 O ATOM 0 H SER A 3 1.551 18.432 -19.524 1.00 0.00 H new ATOM 0 HA SER A 3 1.188 20.489 -21.507 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.697 20.541 -20.665 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.854 19.063 -21.594 1.00 0.00 H new ATOM 0 HG SER A 3 4.345 20.948 -22.854 1.00 0.00 H new ATOM 30 N GLY A 4 1.014 18.655 -23.278 1.00 0.00 N ATOM 31 CA GLY A 4 0.593 17.565 -24.138 1.00 0.00 C ATOM 32 C GLY A 4 1.359 16.285 -23.869 1.00 0.00 C ATOM 33 O GLY A 4 0.900 15.424 -23.119 1.00 0.00 O ATOM 0 H GLY A 4 0.993 19.577 -23.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.472 17.384 -23.995 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.730 17.855 -25.180 1.00 0.00 H new ATOM 37 N SER A 5 2.530 16.157 -24.485 1.00 0.00 N ATOM 38 CA SER A 5 3.359 14.971 -24.313 1.00 0.00 C ATOM 39 C SER A 5 4.728 15.341 -23.751 1.00 0.00 C ATOM 40 O SER A 5 5.587 15.856 -24.467 1.00 0.00 O ATOM 41 CB SER A 5 3.524 14.239 -25.647 1.00 0.00 C ATOM 42 OG SER A 5 2.285 13.727 -26.104 1.00 0.00 O ATOM 0 H SER A 5 2.926 16.861 -25.108 1.00 0.00 H new ATOM 0 HA SER A 5 2.861 14.311 -23.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.936 14.921 -26.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.238 13.423 -25.532 1.00 0.00 H new ATOM 0 HG SER A 5 2.417 13.265 -26.958 1.00 0.00 H new ATOM 48 N SER A 6 4.924 15.076 -22.463 1.00 0.00 N ATOM 49 CA SER A 6 6.187 15.384 -21.802 1.00 0.00 C ATOM 50 C SER A 6 6.434 14.436 -20.633 1.00 0.00 C ATOM 51 O SER A 6 5.528 14.142 -19.855 1.00 0.00 O ATOM 52 CB SER A 6 6.188 16.832 -21.308 1.00 0.00 C ATOM 53 OG SER A 6 5.274 17.007 -20.239 1.00 0.00 O ATOM 0 H SER A 6 4.224 14.649 -21.856 1.00 0.00 H new ATOM 0 HA SER A 6 6.990 15.254 -22.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.191 17.108 -20.982 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.925 17.500 -22.128 1.00 0.00 H new ATOM 0 HG SER A 6 5.295 17.940 -19.940 1.00 0.00 H new ATOM 59 N GLY A 7 7.670 13.960 -20.517 1.00 0.00 N ATOM 60 CA GLY A 7 8.016 13.050 -19.441 1.00 0.00 C ATOM 61 C GLY A 7 9.512 12.836 -19.320 1.00 0.00 C ATOM 62 O GLY A 7 9.996 11.710 -19.432 1.00 0.00 O ATOM 0 H GLY A 7 8.438 14.188 -21.149 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.631 13.442 -18.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.527 12.090 -19.610 1.00 0.00 H new ATOM 66 N MET A 8 10.247 13.920 -19.093 1.00 0.00 N ATOM 67 CA MET A 8 11.697 13.846 -18.958 1.00 0.00 C ATOM 68 C MET A 8 12.089 12.945 -17.791 1.00 0.00 C ATOM 69 O MET A 8 13.228 12.490 -17.702 1.00 0.00 O ATOM 70 CB MET A 8 12.284 15.244 -18.758 1.00 0.00 C ATOM 71 CG MET A 8 12.313 16.078 -20.029 1.00 0.00 C ATOM 72 SD MET A 8 13.641 15.593 -21.148 1.00 0.00 S ATOM 73 CE MET A 8 14.945 16.705 -20.628 1.00 0.00 C ATOM 0 H MET A 8 9.862 14.860 -18.999 1.00 0.00 H new ATOM 0 HA MET A 8 12.101 13.418 -19.876 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.701 15.769 -18.002 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.299 15.151 -18.371 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.357 15.983 -20.543 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.430 17.129 -19.766 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.837 16.527 -21.229 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.618 17.736 -20.761 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.175 16.530 -19.577 1.00 0.00 H new ATOM 83 N ALA A 9 11.137 12.692 -16.899 1.00 0.00 N ATOM 84 CA ALA A 9 11.382 11.845 -15.739 1.00 0.00 C ATOM 85 C ALA A 9 11.736 10.423 -16.162 1.00 0.00 C ATOM 86 O ALA A 9 11.657 10.079 -17.341 1.00 0.00 O ATOM 87 CB ALA A 9 10.168 11.839 -14.823 1.00 0.00 C ATOM 0 H ALA A 9 10.188 13.062 -16.958 1.00 0.00 H new ATOM 0 HA ALA A 9 12.232 12.256 -15.194 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.366 11.202 -13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.963 12.855 -14.484 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.304 11.456 -15.366 1.00 0.00 H new ATOM 93 N ALA A 10 12.125 9.602 -15.193 1.00 0.00 N ATOM 94 CA ALA A 10 12.489 8.217 -15.466 1.00 0.00 C ATOM 95 C ALA A 10 11.798 7.266 -14.494 1.00 0.00 C ATOM 96 O ALA A 10 11.341 7.661 -13.421 1.00 0.00 O ATOM 97 CB ALA A 10 13.999 8.044 -15.393 1.00 0.00 C ATOM 0 H ALA A 10 12.196 9.872 -14.212 1.00 0.00 H new ATOM 0 HA ALA A 10 12.154 7.971 -16.474 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.257 7.005 -15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.475 8.689 -16.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.348 8.314 -14.396 1.00 0.00 H new ATOM 103 N PRO A 11 11.719 5.983 -14.876 1.00 0.00 N ATOM 104 CA PRO A 11 11.085 4.949 -14.052 1.00 0.00 C ATOM 105 C PRO A 11 11.894 4.628 -12.801 1.00 0.00 C ATOM 106 O PRO A 11 13.100 4.387 -12.873 1.00 0.00 O ATOM 107 CB PRO A 11 11.035 3.735 -14.983 1.00 0.00 C ATOM 108 CG PRO A 11 12.146 3.953 -15.951 1.00 0.00 C ATOM 109 CD PRO A 11 12.242 5.442 -16.142 1.00 0.00 C ATOM 0 HA PRO A 11 10.108 5.263 -13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.169 2.806 -14.429 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.074 3.666 -15.493 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.082 3.547 -15.568 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.944 3.450 -16.897 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.270 5.759 -16.320 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.653 5.776 -16.996 1.00 0.00 H new ATOM 117 N LEU A 12 11.225 4.626 -11.653 1.00 0.00 N ATOM 118 CA LEU A 12 11.882 4.334 -10.384 1.00 0.00 C ATOM 119 C LEU A 12 11.538 2.928 -9.904 1.00 0.00 C ATOM 120 O LEU A 12 10.493 2.379 -10.256 1.00 0.00 O ATOM 121 CB LEU A 12 11.473 5.361 -9.327 1.00 0.00 C ATOM 122 CG LEU A 12 9.983 5.423 -8.993 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.777 5.853 -7.548 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.262 6.370 -9.941 1.00 0.00 C ATOM 0 H LEU A 12 10.227 4.823 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 12 12.959 4.391 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.022 5.147 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.790 6.347 -9.666 1.00 0.00 H new ATOM 0 HG LEU A 12 9.561 4.426 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.710 5.892 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.259 5.136 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.215 6.840 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.202 6.401 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.687 7.370 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.380 6.018 -10.966 1.00 0.00 H new ATOM 136 N CYS A 13 12.422 2.351 -9.097 1.00 0.00 N ATOM 137 CA CYS A 13 12.211 1.009 -8.566 1.00 0.00 C ATOM 138 C CYS A 13 12.177 1.026 -7.041 1.00 0.00 C ATOM 139 O CYS A 13 13.054 1.602 -6.397 1.00 0.00 O ATOM 140 CB CYS A 13 13.312 0.067 -9.054 1.00 0.00 C ATOM 141 SG CYS A 13 13.079 -0.530 -10.744 1.00 0.00 S ATOM 0 H CYS A 13 13.291 2.792 -8.796 1.00 0.00 H new ATOM 0 HA CYS A 13 11.248 0.649 -8.928 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.270 0.583 -8.991 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.366 -0.790 -8.382 1.00 0.00 H new ATOM 0 HG CYS A 13 14.062 -1.317 -11.065 1.00 0.00 H new ATOM 147 N VAL A 14 11.158 0.393 -6.470 1.00 0.00 N ATOM 148 CA VAL A 14 11.009 0.335 -5.021 1.00 0.00 C ATOM 149 C VAL A 14 10.786 -1.097 -4.547 1.00 0.00 C ATOM 150 O VAL A 14 10.225 -1.921 -5.269 1.00 0.00 O ATOM 151 CB VAL A 14 9.836 1.211 -4.542 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.113 2.679 -4.828 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.538 0.767 -5.199 1.00 0.00 C ATOM 0 H VAL A 14 10.423 -0.087 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 14 11.936 0.716 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 14 9.731 1.090 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.273 3.282 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.019 2.987 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.245 2.822 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.719 1.396 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.629 0.857 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.334 -0.271 -4.937 1.00 0.00 H new ATOM 163 N LYS A 15 11.230 -1.387 -3.329 1.00 0.00 N ATOM 164 CA LYS A 15 11.078 -2.719 -2.756 1.00 0.00 C ATOM 165 C LYS A 15 9.991 -2.731 -1.687 1.00 0.00 C ATOM 166 O LYS A 15 10.160 -2.160 -0.609 1.00 0.00 O ATOM 167 CB LYS A 15 12.404 -3.192 -2.156 1.00 0.00 C ATOM 168 CG LYS A 15 13.287 -3.937 -3.142 1.00 0.00 C ATOM 169 CD LYS A 15 14.710 -4.069 -2.627 1.00 0.00 C ATOM 170 CE LYS A 15 15.478 -2.764 -2.771 1.00 0.00 C ATOM 171 NZ LYS A 15 16.943 -2.994 -2.904 1.00 0.00 N ATOM 0 H LYS A 15 11.698 -0.717 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 15 10.784 -3.400 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.949 -2.329 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.197 -3.840 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.872 -4.928 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.292 -3.411 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.693 -4.368 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.225 -4.858 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.115 -2.223 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.287 -2.133 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.431 -2.080 -3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.295 -3.487 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.128 -3.575 -3.746 1.00 0.00 H new ATOM 185 N VAL A 16 8.875 -3.386 -1.991 1.00 0.00 N ATOM 186 CA VAL A 16 7.761 -3.475 -1.054 1.00 0.00 C ATOM 187 C VAL A 16 7.743 -4.826 -0.347 1.00 0.00 C ATOM 188 O VAL A 16 7.753 -5.874 -0.992 1.00 0.00 O ATOM 189 CB VAL A 16 6.412 -3.262 -1.765 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.297 -3.069 -0.749 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.491 -2.075 -2.713 1.00 0.00 C ATOM 0 H VAL A 16 8.718 -3.863 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 16 7.904 -2.685 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 16 6.186 -4.152 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.351 -2.920 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.226 -3.952 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.513 -2.196 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.529 -1.939 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.740 -1.176 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.261 -2.259 -3.463 1.00 0.00 H new ATOM 201 N GLU A 17 7.716 -4.792 0.981 1.00 0.00 N ATOM 202 CA GLU A 17 7.697 -6.015 1.775 1.00 0.00 C ATOM 203 C GLU A 17 6.442 -6.081 2.642 1.00 0.00 C ATOM 204 O GLU A 17 6.101 -5.122 3.334 1.00 0.00 O ATOM 205 CB GLU A 17 8.944 -6.096 2.658 1.00 0.00 C ATOM 206 CG GLU A 17 9.011 -7.358 3.502 1.00 0.00 C ATOM 207 CD GLU A 17 10.105 -7.300 4.551 1.00 0.00 C ATOM 208 OE1 GLU A 17 11.160 -6.692 4.276 1.00 0.00 O ATOM 209 OE2 GLU A 17 9.904 -7.863 5.648 1.00 0.00 O ATOM 0 H GLU A 17 7.707 -3.932 1.530 1.00 0.00 H new ATOM 0 HA GLU A 17 7.690 -6.863 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.831 -6.044 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.970 -5.227 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.050 -7.514 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.181 -8.217 2.852 1.00 0.00 H new ATOM 216 N PHE A 18 5.759 -7.220 2.597 1.00 0.00 N ATOM 217 CA PHE A 18 4.541 -7.413 3.375 1.00 0.00 C ATOM 218 C PHE A 18 4.768 -8.418 4.501 1.00 0.00 C ATOM 219 O PHE A 18 5.546 -9.361 4.358 1.00 0.00 O ATOM 220 CB PHE A 18 3.403 -7.890 2.472 1.00 0.00 C ATOM 221 CG PHE A 18 2.961 -6.862 1.470 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.624 -6.724 0.261 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.883 -6.034 1.737 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.220 -5.780 -0.663 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.474 -5.088 0.816 1.00 0.00 C ATOM 226 CZ PHE A 18 2.144 -4.960 -0.385 1.00 0.00 C ATOM 0 H PHE A 18 6.029 -8.024 2.030 1.00 0.00 H new ATOM 0 HA PHE A 18 4.267 -6.455 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.722 -8.788 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.552 -8.171 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.467 -7.362 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.356 -6.129 2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.745 -5.683 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.631 -4.449 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.827 -4.220 -1.105 1.00 0.00 H new ATOM 236 N GLY A 19 4.084 -8.208 5.621 1.00 0.00 N ATOM 237 CA GLY A 19 4.224 -9.102 6.755 1.00 0.00 C ATOM 238 C GLY A 19 2.890 -9.471 7.372 1.00 0.00 C ATOM 239 O GLY A 19 1.951 -8.676 7.360 1.00 0.00 O ATOM 0 H GLY A 19 3.435 -7.434 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.737 -10.010 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.852 -8.630 7.511 1.00 0.00 H new ATOM 243 N GLY A 20 2.804 -10.684 7.911 1.00 0.00 N ATOM 244 CA GLY A 20 1.569 -11.136 8.526 1.00 0.00 C ATOM 245 C GLY A 20 0.806 -12.107 7.648 1.00 0.00 C ATOM 246 O GLY A 20 0.293 -13.117 8.127 1.00 0.00 O ATOM 0 H GLY A 20 3.567 -11.361 7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.795 -11.614 9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.938 -10.274 8.743 1.00 0.00 H new ATOM 250 N GLY A 21 0.729 -11.800 6.356 1.00 0.00 N ATOM 251 CA GLY A 21 0.020 -12.663 5.430 1.00 0.00 C ATOM 252 C GLY A 21 -0.392 -11.939 4.163 1.00 0.00 C ATOM 253 O GLY A 21 -0.696 -12.570 3.151 1.00 0.00 O ATOM 0 H GLY A 21 1.145 -10.969 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.654 -13.511 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.867 -13.066 5.920 1.00 0.00 H new ATOM 257 N ALA A 22 -0.402 -10.612 4.219 1.00 0.00 N ATOM 258 CA ALA A 22 -0.779 -9.802 3.067 1.00 0.00 C ATOM 259 C ALA A 22 -0.091 -10.297 1.799 1.00 0.00 C ATOM 260 O ALA A 22 -0.702 -10.354 0.733 1.00 0.00 O ATOM 261 CB ALA A 22 -0.441 -8.339 3.316 1.00 0.00 C ATOM 0 H ALA A 22 -0.153 -10.075 5.050 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.856 -9.896 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.728 -7.746 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.983 -7.984 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.631 -8.237 3.487 1.00 0.00 H new ATOM 267 N GLU A 23 1.184 -10.652 1.923 1.00 0.00 N ATOM 268 CA GLU A 23 1.955 -11.141 0.786 1.00 0.00 C ATOM 269 C GLU A 23 1.111 -12.066 -0.086 1.00 0.00 C ATOM 270 O GLU A 23 1.235 -12.068 -1.311 1.00 0.00 O ATOM 271 CB GLU A 23 3.207 -11.877 1.268 1.00 0.00 C ATOM 272 CG GLU A 23 2.925 -12.922 2.334 1.00 0.00 C ATOM 273 CD GLU A 23 3.012 -12.359 3.740 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.320 -11.157 3.879 1.00 0.00 O ATOM 275 OE2 GLU A 23 2.773 -13.121 4.700 1.00 0.00 O ATOM 0 H GLU A 23 1.705 -10.610 2.799 1.00 0.00 H new ATOM 0 HA GLU A 23 2.257 -10.281 0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.686 -12.359 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.917 -11.150 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.931 -13.339 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.635 -13.742 2.230 1.00 0.00 H new ATOM 282 N LEU A 24 0.253 -12.852 0.555 1.00 0.00 N ATOM 283 CA LEU A 24 -0.612 -13.784 -0.161 1.00 0.00 C ATOM 284 C LEU A 24 -1.458 -13.053 -1.200 1.00 0.00 C ATOM 285 O LEU A 24 -1.615 -13.522 -2.328 1.00 0.00 O ATOM 286 CB LEU A 24 -1.520 -14.525 0.822 1.00 0.00 C ATOM 287 CG LEU A 24 -0.814 -15.398 1.860 1.00 0.00 C ATOM 288 CD1 LEU A 24 -1.771 -15.776 2.980 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.238 -16.645 1.205 1.00 0.00 C ATOM 0 H LEU A 24 0.138 -12.863 1.568 1.00 0.00 H new ATOM 0 HA LEU A 24 0.021 -14.506 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.129 -13.790 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.203 -15.154 0.251 1.00 0.00 H new ATOM 0 HG LEU A 24 0.007 -14.825 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.251 -16.397 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.135 -14.872 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.614 -16.330 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.261 -17.254 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.043 -17.220 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.481 -16.355 0.439 1.00 0.00 H new ATOM 301 N LEU A 25 -1.997 -11.903 -0.813 1.00 0.00 N ATOM 302 CA LEU A 25 -2.825 -11.106 -1.711 1.00 0.00 C ATOM 303 C LEU A 25 -2.000 -10.561 -2.872 1.00 0.00 C ATOM 304 O LEU A 25 -2.536 -9.943 -3.793 1.00 0.00 O ATOM 305 CB LEU A 25 -3.476 -9.951 -0.947 1.00 0.00 C ATOM 306 CG LEU A 25 -4.548 -10.340 0.071 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.572 -9.351 1.226 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.914 -10.416 -0.596 1.00 0.00 C ATOM 0 H LEU A 25 -1.876 -11.501 0.117 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.605 -11.752 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.693 -9.399 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.921 -9.268 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.304 -11.325 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.341 -9.644 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.601 -9.346 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.791 -8.353 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.665 -10.694 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.166 -9.444 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.891 -11.164 -1.389 1.00 0.00 H new ATOM 320 N PHE A 26 -0.692 -10.795 -2.823 1.00 0.00 N ATOM 321 CA PHE A 26 0.207 -10.329 -3.872 1.00 0.00 C ATOM 322 C PHE A 26 1.188 -11.426 -4.274 1.00 0.00 C ATOM 323 O PHE A 26 2.285 -11.527 -3.723 1.00 0.00 O ATOM 324 CB PHE A 26 0.974 -9.091 -3.402 1.00 0.00 C ATOM 325 CG PHE A 26 0.098 -8.045 -2.775 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.331 -8.176 -1.464 1.00 0.00 C ATOM 327 CD2 PHE A 26 -0.299 -6.931 -3.498 1.00 0.00 C ATOM 328 CE1 PHE A 26 -1.137 -7.214 -0.884 1.00 0.00 C ATOM 329 CE2 PHE A 26 -1.105 -5.966 -2.923 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.526 -6.109 -1.615 1.00 0.00 C ATOM 0 H PHE A 26 -0.232 -11.304 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.395 -10.067 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.734 -9.396 -2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.497 -8.653 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.032 -9.040 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.025 -6.816 -4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.462 -7.327 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.405 -5.101 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.158 -5.358 -1.165 1.00 0.00 H new ATOM 340 N ASP A 27 0.786 -12.247 -5.238 1.00 0.00 N ATOM 341 CA ASP A 27 1.628 -13.337 -5.716 1.00 0.00 C ATOM 342 C ASP A 27 2.329 -14.032 -4.552 1.00 0.00 C ATOM 343 O ASP A 27 3.426 -14.567 -4.705 1.00 0.00 O ATOM 344 CB ASP A 27 2.664 -12.812 -6.711 1.00 0.00 C ATOM 345 CG ASP A 27 2.086 -12.617 -8.099 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.248 -11.708 -8.271 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.473 -13.374 -9.013 1.00 0.00 O ATOM 0 H ASP A 27 -0.119 -12.178 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 27 0.989 -14.063 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.062 -11.864 -6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.500 -13.510 -6.763 1.00 0.00 H new ATOM 352 N GLY A 28 1.687 -14.019 -3.388 1.00 0.00 N ATOM 353 CA GLY A 28 2.264 -14.650 -2.215 1.00 0.00 C ATOM 354 C GLY A 28 3.777 -14.551 -2.189 1.00 0.00 C ATOM 355 O GLY A 28 4.474 -15.562 -2.276 1.00 0.00 O ATOM 0 H GLY A 28 0.778 -13.583 -3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.857 -14.184 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.971 -15.700 -2.190 1.00 0.00 H new ATOM 359 N VAL A 29 4.286 -13.329 -2.071 1.00 0.00 N ATOM 360 CA VAL A 29 5.726 -13.102 -2.035 1.00 0.00 C ATOM 361 C VAL A 29 6.099 -12.113 -0.935 1.00 0.00 C ATOM 362 O VAL A 29 5.359 -11.169 -0.657 1.00 0.00 O ATOM 363 CB VAL A 29 6.245 -12.571 -3.384 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.665 -12.046 -3.242 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.173 -13.657 -4.447 1.00 0.00 C ATOM 0 H VAL A 29 3.723 -12.481 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 29 6.193 -14.065 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 29 5.608 -11.744 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.014 -11.675 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.682 -11.235 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.318 -12.851 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.544 -13.264 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.785 -14.506 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.139 -13.980 -4.568 1.00 0.00 H new ATOM 375 N LYS A 30 7.251 -12.336 -0.313 1.00 0.00 N ATOM 376 CA LYS A 30 7.725 -11.465 0.756 1.00 0.00 C ATOM 377 C LYS A 30 8.135 -10.103 0.206 1.00 0.00 C ATOM 378 O LYS A 30 7.465 -9.098 0.444 1.00 0.00 O ATOM 379 CB LYS A 30 8.907 -12.111 1.483 1.00 0.00 C ATOM 380 CG LYS A 30 8.556 -13.418 2.173 1.00 0.00 C ATOM 381 CD LYS A 30 8.087 -13.186 3.599 1.00 0.00 C ATOM 382 CE LYS A 30 9.256 -12.905 4.531 1.00 0.00 C ATOM 383 NZ LYS A 30 8.799 -12.424 5.865 1.00 0.00 N ATOM 0 H LYS A 30 7.875 -13.113 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 30 6.908 -11.321 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.708 -12.292 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.294 -11.411 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.775 -13.929 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.427 -14.074 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.392 -12.347 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.542 -14.062 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.848 -13.812 4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.909 -12.158 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.625 -12.244 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.256 -11.545 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.197 -13.147 6.307 1.00 0.00 H new ATOM 397 N LYS A 31 9.240 -10.076 -0.532 1.00 0.00 N ATOM 398 CA LYS A 31 9.739 -8.839 -1.119 1.00 0.00 C ATOM 399 C LYS A 31 9.322 -8.723 -2.582 1.00 0.00 C ATOM 400 O LYS A 31 9.584 -9.620 -3.385 1.00 0.00 O ATOM 401 CB LYS A 31 11.264 -8.775 -1.006 1.00 0.00 C ATOM 402 CG LYS A 31 11.764 -8.665 0.424 1.00 0.00 C ATOM 403 CD LYS A 31 13.236 -9.027 0.530 1.00 0.00 C ATOM 404 CE LYS A 31 13.737 -8.907 1.961 1.00 0.00 C ATOM 405 NZ LYS A 31 13.887 -7.486 2.380 1.00 0.00 N ATOM 0 H LYS A 31 9.807 -10.898 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 31 9.304 -8.005 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.692 -9.667 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.627 -7.919 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.611 -7.648 0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.179 -9.323 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.388 -10.046 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.820 -8.373 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.042 -9.412 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.696 -9.416 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.770 -7.374 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.914 -6.877 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.081 -7.214 2.978 1.00 0.00 H new ATOM 419 N HIS A 32 8.674 -7.614 -2.922 1.00 0.00 N ATOM 420 CA HIS A 32 8.223 -7.381 -4.289 1.00 0.00 C ATOM 421 C HIS A 32 8.965 -6.203 -4.913 1.00 0.00 C ATOM 422 O HIS A 32 8.881 -5.076 -4.425 1.00 0.00 O ATOM 423 CB HIS A 32 6.716 -7.120 -4.314 1.00 0.00 C ATOM 424 CG HIS A 32 5.941 -7.999 -3.382 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.367 -9.190 -3.774 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.647 -7.855 -2.069 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.752 -9.740 -2.742 1.00 0.00 C ATOM 428 NE2 HIS A 32 4.907 -8.950 -1.695 1.00 0.00 N ATOM 0 H HIS A 32 8.449 -6.863 -2.270 1.00 0.00 H new ATOM 0 HA HIS A 32 8.439 -8.275 -4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.532 -6.077 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.347 -7.266 -5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.940 -7.032 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.214 -10.676 -2.753 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.537 -9.125 -0.761 1.00 0.00 H new ATOM 437 N GLN A 33 9.692 -6.473 -5.992 1.00 0.00 N ATOM 438 CA GLN A 33 10.451 -5.435 -6.681 1.00 0.00 C ATOM 439 C GLN A 33 9.591 -4.739 -7.731 1.00 0.00 C ATOM 440 O GLN A 33 9.349 -5.281 -8.809 1.00 0.00 O ATOM 441 CB GLN A 33 11.695 -6.034 -7.339 1.00 0.00 C ATOM 442 CG GLN A 33 12.794 -6.389 -6.351 1.00 0.00 C ATOM 443 CD GLN A 33 14.161 -6.468 -7.003 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.409 -5.836 -8.030 1.00 0.00 O ATOM 445 NE2 GLN A 33 15.057 -7.247 -6.408 1.00 0.00 N ATOM 0 H GLN A 33 9.772 -7.401 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 33 10.760 -4.696 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.409 -6.930 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.088 -5.325 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.817 -5.644 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.562 -7.346 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.809 -7.753 -5.558 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.994 -7.339 -6.801 1.00 0.00 H new ATOM 454 N VAL A 34 9.132 -3.534 -7.409 1.00 0.00 N ATOM 455 CA VAL A 34 8.300 -2.762 -8.324 1.00 0.00 C ATOM 456 C VAL A 34 9.128 -1.733 -9.085 1.00 0.00 C ATOM 457 O VAL A 34 10.076 -1.164 -8.546 1.00 0.00 O ATOM 458 CB VAL A 34 7.163 -2.040 -7.576 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.169 -1.445 -8.562 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.468 -2.993 -6.616 1.00 0.00 C ATOM 0 H VAL A 34 9.323 -3.071 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 34 7.867 -3.469 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 34 7.594 -1.225 -6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.373 -0.939 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.679 -0.729 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.741 -2.240 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.668 -2.466 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.049 -3.830 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.189 -3.367 -5.889 1.00 0.00 H new ATOM 470 N ALA A 35 8.762 -1.498 -10.340 1.00 0.00 N ATOM 471 CA ALA A 35 9.469 -0.534 -11.175 1.00 0.00 C ATOM 472 C ALA A 35 8.503 0.472 -11.790 1.00 0.00 C ATOM 473 O ALA A 35 8.086 0.325 -12.940 1.00 0.00 O ATOM 474 CB ALA A 35 10.250 -1.253 -12.264 1.00 0.00 C ATOM 0 H ALA A 35 7.980 -1.962 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 35 10.168 0.014 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.773 -0.521 -12.880 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.975 -1.927 -11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.563 -1.826 -12.886 1.00 0.00 H new ATOM 480 N LEU A 36 8.150 1.494 -11.019 1.00 0.00 N ATOM 481 CA LEU A 36 7.231 2.526 -11.488 1.00 0.00 C ATOM 482 C LEU A 36 7.795 3.241 -12.712 1.00 0.00 C ATOM 483 O LEU A 36 8.999 3.474 -12.826 1.00 0.00 O ATOM 484 CB LEU A 36 6.957 3.538 -10.374 1.00 0.00 C ATOM 485 CG LEU A 36 6.462 2.958 -9.048 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.556 3.998 -7.943 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.033 2.453 -9.188 1.00 0.00 C ATOM 0 H LEU A 36 8.486 1.631 -10.066 1.00 0.00 H new ATOM 0 HA LEU A 36 6.295 2.043 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.874 4.096 -10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.217 4.253 -10.734 1.00 0.00 H new ATOM 0 HG LEU A 36 7.100 2.115 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.200 3.568 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.593 4.312 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.943 4.861 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.697 2.044 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.382 3.278 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.995 1.675 -9.951 1.00 0.00 H new ATOM 499 N PRO A 37 6.906 3.600 -13.650 1.00 0.00 N ATOM 500 CA PRO A 37 7.292 4.296 -14.881 1.00 0.00 C ATOM 501 C PRO A 37 7.742 5.729 -14.620 1.00 0.00 C ATOM 502 O PRO A 37 7.864 6.152 -13.471 1.00 0.00 O ATOM 503 CB PRO A 37 6.007 4.282 -15.713 1.00 0.00 C ATOM 504 CG PRO A 37 4.908 4.178 -14.713 1.00 0.00 C ATOM 505 CD PRO A 37 5.456 3.354 -13.581 1.00 0.00 C ATOM 0 HA PRO A 37 8.140 3.817 -15.372 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.913 5.188 -16.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.993 3.440 -16.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.602 5.165 -14.365 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.027 3.706 -15.149 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.041 3.663 -12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.222 2.297 -13.704 1.00 0.00 H new ATOM 513 N GLY A 38 7.987 6.473 -15.694 1.00 0.00 N ATOM 514 CA GLY A 38 8.421 7.851 -15.559 1.00 0.00 C ATOM 515 C GLY A 38 7.426 8.832 -16.147 1.00 0.00 C ATOM 516 O GLY A 38 6.914 8.623 -17.246 1.00 0.00 O ATOM 0 H GLY A 38 7.893 6.146 -16.655 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.572 8.080 -14.504 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.385 7.975 -16.053 1.00 0.00 H new ATOM 520 N GLN A 39 7.150 9.905 -15.411 1.00 0.00 N ATOM 521 CA GLN A 39 6.207 10.920 -15.866 1.00 0.00 C ATOM 522 C GLN A 39 6.556 12.286 -15.285 1.00 0.00 C ATOM 523 O GLN A 39 7.370 12.391 -14.368 1.00 0.00 O ATOM 524 CB GLN A 39 4.780 10.535 -15.471 1.00 0.00 C ATOM 525 CG GLN A 39 4.697 9.770 -14.160 1.00 0.00 C ATOM 526 CD GLN A 39 3.333 9.876 -13.508 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.348 10.231 -14.157 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.267 9.569 -12.218 1.00 0.00 N ATOM 0 H GLN A 39 7.566 10.093 -14.499 1.00 0.00 H new ATOM 0 HA GLN A 39 6.272 10.979 -16.952 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.177 11.440 -15.393 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.343 9.928 -16.264 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.928 8.720 -14.341 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.454 10.150 -13.474 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.108 9.280 -11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.375 9.623 -11.726 1.00 0.00 H new ATOM 537 N GLU A 40 5.935 13.330 -15.826 1.00 0.00 N ATOM 538 CA GLU A 40 6.183 14.690 -15.361 1.00 0.00 C ATOM 539 C GLU A 40 6.102 14.768 -13.839 1.00 0.00 C ATOM 540 O GLU A 40 6.894 15.459 -13.200 1.00 0.00 O ATOM 541 CB GLU A 40 5.176 15.657 -15.986 1.00 0.00 C ATOM 542 CG GLU A 40 5.726 17.058 -16.195 1.00 0.00 C ATOM 543 CD GLU A 40 4.657 18.127 -16.088 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.470 17.803 -16.299 1.00 0.00 O ATOM 545 OE2 GLU A 40 5.008 19.289 -15.793 1.00 0.00 O ATOM 0 H GLU A 40 5.258 13.260 -16.585 1.00 0.00 H new ATOM 0 HA GLU A 40 7.189 14.974 -15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.849 15.257 -16.946 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.295 15.713 -15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.504 17.253 -15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.196 17.117 -17.177 1.00 0.00 H new ATOM 552 N GLU A 41 5.138 14.053 -13.266 1.00 0.00 N ATOM 553 CA GLU A 41 4.953 14.043 -11.820 1.00 0.00 C ATOM 554 C GLU A 41 5.517 12.763 -11.208 1.00 0.00 C ATOM 555 O GLU A 41 5.360 11.667 -11.746 1.00 0.00 O ATOM 556 CB GLU A 41 3.469 14.176 -11.472 1.00 0.00 C ATOM 557 CG GLU A 41 2.988 15.616 -11.398 1.00 0.00 C ATOM 558 CD GLU A 41 1.535 15.725 -10.978 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.723 14.889 -11.426 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.211 16.646 -10.200 1.00 0.00 O ATOM 0 H GLU A 41 4.474 13.474 -13.781 1.00 0.00 H new ATOM 0 HA GLU A 41 5.494 14.893 -11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.880 13.643 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.284 13.690 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.609 16.167 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.117 16.089 -12.372 1.00 0.00 H new ATOM 567 N PRO A 42 6.190 12.905 -10.057 1.00 0.00 N ATOM 568 CA PRO A 42 6.791 11.772 -9.347 1.00 0.00 C ATOM 569 C PRO A 42 5.743 10.850 -8.734 1.00 0.00 C ATOM 570 O PRO A 42 4.620 11.271 -8.454 1.00 0.00 O ATOM 571 CB PRO A 42 7.622 12.442 -8.249 1.00 0.00 C ATOM 572 CG PRO A 42 6.961 13.758 -8.023 1.00 0.00 C ATOM 573 CD PRO A 42 6.416 14.182 -9.359 1.00 0.00 C ATOM 0 HA PRO A 42 7.374 11.136 -10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.632 11.843 -7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.659 12.568 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.163 13.672 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.671 14.491 -7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.492 14.751 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.121 14.815 -9.898 1.00 0.00 H new ATOM 581 N TRP A 43 6.116 9.592 -8.528 1.00 0.00 N ATOM 582 CA TRP A 43 5.207 8.611 -7.947 1.00 0.00 C ATOM 583 C TRP A 43 5.015 8.862 -6.455 1.00 0.00 C ATOM 584 O TRP A 43 5.985 8.964 -5.704 1.00 0.00 O ATOM 585 CB TRP A 43 5.739 7.195 -8.174 1.00 0.00 C ATOM 586 CG TRP A 43 5.303 6.598 -9.478 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.924 6.727 -10.687 1.00 0.00 C ATOM 588 CD2 TRP A 43 4.149 5.780 -9.702 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.226 6.039 -11.650 1.00 0.00 N ATOM 590 CE2 TRP A 43 4.134 5.449 -11.071 1.00 0.00 C ATOM 591 CE3 TRP A 43 3.129 5.294 -8.880 1.00 0.00 C ATOM 592 CZ2 TRP A 43 3.138 4.655 -11.634 1.00 0.00 C ATOM 593 CZ3 TRP A 43 2.141 4.506 -9.440 1.00 0.00 C ATOM 594 CH2 TRP A 43 2.151 4.193 -10.805 1.00 0.00 C ATOM 0 H TRP A 43 7.041 9.227 -8.755 1.00 0.00 H new ATOM 0 HA TRP A 43 4.240 8.712 -8.440 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.828 7.214 -8.137 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.404 6.554 -7.359 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.831 7.287 -10.861 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.480 5.978 -12.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.113 5.530 -7.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.144 4.412 -12.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.348 4.125 -8.814 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.364 3.575 -11.212 1.00 0.00 H new ATOM 605 N ASP A 44 3.760 8.959 -6.033 1.00 0.00 N ATOM 606 CA ASP A 44 3.441 9.197 -4.630 1.00 0.00 C ATOM 607 C ASP A 44 2.621 8.046 -4.056 1.00 0.00 C ATOM 608 O ASP A 44 1.910 7.354 -4.785 1.00 0.00 O ATOM 609 CB ASP A 44 2.677 10.513 -4.474 1.00 0.00 C ATOM 610 CG ASP A 44 3.119 11.561 -5.475 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.255 11.455 -5.982 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.329 12.489 -5.751 1.00 0.00 O ATOM 0 H ASP A 44 2.946 8.877 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 44 4.378 9.263 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.610 10.327 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.821 10.896 -3.464 1.00 0.00 H new ATOM 617 N ILE A 45 2.725 7.847 -2.746 1.00 0.00 N ATOM 618 CA ILE A 45 1.993 6.781 -2.075 1.00 0.00 C ATOM 619 C ILE A 45 0.603 6.605 -2.678 1.00 0.00 C ATOM 620 O ILE A 45 0.216 5.500 -3.060 1.00 0.00 O ATOM 621 CB ILE A 45 1.855 7.055 -0.566 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.236 7.177 0.080 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.048 5.952 0.101 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.004 5.874 0.117 1.00 0.00 C ATOM 0 H ILE A 45 3.309 8.411 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 45 2.567 5.866 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 45 1.326 7.998 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.820 7.918 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.120 7.550 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.959 6.160 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.054 5.908 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.552 4.996 -0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.973 6.036 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.441 5.136 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.151 5.510 -0.900 1.00 0.00 H new ATOM 636 N ARG A 46 -0.143 7.702 -2.761 1.00 0.00 N ATOM 637 CA ARG A 46 -1.490 7.669 -3.317 1.00 0.00 C ATOM 638 C ARG A 46 -1.517 6.892 -4.630 1.00 0.00 C ATOM 639 O ARG A 46 -2.223 5.893 -4.757 1.00 0.00 O ATOM 640 CB ARG A 46 -2.006 9.092 -3.543 1.00 0.00 C ATOM 641 CG ARG A 46 -3.291 9.152 -4.352 1.00 0.00 C ATOM 642 CD ARG A 46 -3.923 10.534 -4.292 1.00 0.00 C ATOM 643 NE ARG A 46 -3.137 11.528 -5.017 1.00 0.00 N ATOM 644 CZ ARG A 46 -3.188 12.831 -4.766 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.984 13.295 -3.811 1.00 0.00 N ATOM 646 NH2 ARG A 46 -2.442 13.673 -5.469 1.00 0.00 N ATOM 0 H ARG A 46 0.163 8.624 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.139 7.163 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.173 9.567 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.237 9.671 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.082 8.891 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.996 8.412 -3.973 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.928 10.491 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.024 10.841 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.514 11.204 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.558 12.650 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.021 14.296 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.828 13.320 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.482 14.674 -5.275 1.00 0.00 H new ATOM 660 N ASN A 47 -0.744 7.360 -5.605 1.00 0.00 N ATOM 661 CA ASN A 47 -0.680 6.710 -6.909 1.00 0.00 C ATOM 662 C ASN A 47 -0.197 5.269 -6.775 1.00 0.00 C ATOM 663 O ASN A 47 -0.707 4.367 -7.441 1.00 0.00 O ATOM 664 CB ASN A 47 0.249 7.487 -7.844 1.00 0.00 C ATOM 665 CG ASN A 47 -0.448 8.656 -8.511 1.00 0.00 C ATOM 666 OD1 ASN A 47 -0.447 8.777 -9.737 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.048 9.525 -7.706 1.00 0.00 N ATOM 0 H ASN A 47 -0.153 8.187 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.684 6.700 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.106 7.853 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.636 6.814 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.533 10.332 -8.098 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.024 9.385 -6.696 1.00 0.00 H new ATOM 674 N LEU A 48 0.789 5.059 -5.910 1.00 0.00 N ATOM 675 CA LEU A 48 1.342 3.728 -5.687 1.00 0.00 C ATOM 676 C LEU A 48 0.239 2.732 -5.341 1.00 0.00 C ATOM 677 O LEU A 48 0.123 1.676 -5.965 1.00 0.00 O ATOM 678 CB LEU A 48 2.381 3.766 -4.566 1.00 0.00 C ATOM 679 CG LEU A 48 3.277 2.534 -4.439 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.325 2.520 -5.541 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.940 2.495 -3.070 1.00 0.00 C ATOM 0 H LEU A 48 1.222 5.794 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 48 1.824 3.403 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.017 4.639 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.860 3.911 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 48 2.656 1.645 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.953 1.636 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.831 2.499 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.943 3.415 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.574 1.611 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.548 3.390 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.174 2.456 -2.296 1.00 0.00 H new ATOM 693 N LEU A 49 -0.569 3.075 -4.344 1.00 0.00 N ATOM 694 CA LEU A 49 -1.664 2.212 -3.915 1.00 0.00 C ATOM 695 C LEU A 49 -2.318 1.528 -5.111 1.00 0.00 C ATOM 696 O LEU A 49 -2.256 0.307 -5.251 1.00 0.00 O ATOM 697 CB LEU A 49 -2.707 3.024 -3.144 1.00 0.00 C ATOM 698 CG LEU A 49 -2.531 3.073 -1.626 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.408 1.667 -1.057 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.313 3.907 -1.257 1.00 0.00 C ATOM 0 H LEU A 49 -0.487 3.945 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.254 1.444 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.697 4.046 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.693 2.613 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.414 3.543 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.283 1.722 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.309 1.100 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.543 1.171 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.203 3.931 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.421 3.466 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.441 4.923 -1.631 1.00 0.00 H new ATOM 712 N VAL A 50 -2.944 2.324 -5.973 1.00 0.00 N ATOM 713 CA VAL A 50 -3.607 1.796 -7.159 1.00 0.00 C ATOM 714 C VAL A 50 -2.773 0.700 -7.813 1.00 0.00 C ATOM 715 O VAL A 50 -3.158 -0.469 -7.817 1.00 0.00 O ATOM 716 CB VAL A 50 -3.877 2.906 -8.192 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.391 2.310 -9.494 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.863 3.922 -7.636 1.00 0.00 C ATOM 0 H VAL A 50 -3.006 3.337 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.558 1.377 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.939 3.420 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.576 3.109 -10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.647 1.624 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.319 1.769 -9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.042 4.699 -8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.803 3.424 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.451 4.372 -6.733 1.00 0.00 H new ATOM 728 N TRP A 51 -1.628 1.086 -8.364 1.00 0.00 N ATOM 729 CA TRP A 51 -0.737 0.135 -9.021 1.00 0.00 C ATOM 730 C TRP A 51 -0.634 -1.157 -8.219 1.00 0.00 C ATOM 731 O TRP A 51 -0.748 -2.252 -8.771 1.00 0.00 O ATOM 732 CB TRP A 51 0.652 0.749 -9.204 1.00 0.00 C ATOM 733 CG TRP A 51 1.562 -0.084 -10.055 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.873 0.123 -11.368 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.276 -1.257 -9.652 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.738 -0.851 -11.806 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.001 -1.709 -10.772 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.375 -1.969 -8.453 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.811 -2.840 -10.726 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.179 -3.092 -8.410 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.890 -3.518 -9.540 1.00 0.00 C ATOM 0 H TRP A 51 -1.294 2.050 -8.369 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.154 -0.100 -10.000 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.549 1.736 -9.654 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.110 0.891 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.495 0.933 -11.974 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.122 -0.923 -12.748 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.833 -1.647 -7.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.358 -3.171 -11.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.261 -3.651 -7.490 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.512 -4.398 -9.474 1.00 0.00 H new ATOM 752 N ILE A 52 -0.416 -1.023 -6.915 1.00 0.00 N ATOM 753 CA ILE A 52 -0.298 -2.182 -6.038 1.00 0.00 C ATOM 754 C ILE A 52 -1.633 -2.908 -5.904 1.00 0.00 C ATOM 755 O ILE A 52 -1.675 -4.123 -5.715 1.00 0.00 O ATOM 756 CB ILE A 52 0.197 -1.779 -4.636 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.538 -1.049 -4.736 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.320 -3.006 -3.745 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.107 -0.644 -3.394 1.00 0.00 C ATOM 0 H ILE A 52 -0.318 -0.124 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 52 0.432 -2.850 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.531 -1.102 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.255 -1.692 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.413 -0.159 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.671 -2.705 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.653 -3.488 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.031 -3.705 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.058 -0.132 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.409 0.024 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.265 -1.532 -2.783 1.00 0.00 H new ATOM 771 N LYS A 53 -2.723 -2.154 -6.004 1.00 0.00 N ATOM 772 CA LYS A 53 -4.060 -2.724 -5.898 1.00 0.00 C ATOM 773 C LYS A 53 -4.578 -3.158 -7.266 1.00 0.00 C ATOM 774 O LYS A 53 -5.595 -3.843 -7.368 1.00 0.00 O ATOM 775 CB LYS A 53 -5.022 -1.710 -5.275 1.00 0.00 C ATOM 776 CG LYS A 53 -4.644 -1.302 -3.862 1.00 0.00 C ATOM 777 CD LYS A 53 -5.564 -0.216 -3.330 1.00 0.00 C ATOM 778 CE LYS A 53 -5.748 0.904 -4.343 1.00 0.00 C ATOM 779 NZ LYS A 53 -6.395 2.100 -3.736 1.00 0.00 N ATOM 0 H LYS A 53 -2.706 -1.146 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.002 -3.603 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.057 -0.821 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.027 -2.133 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.690 -2.172 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.614 -0.946 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.534 -0.648 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.152 0.191 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.778 1.185 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.355 0.546 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.029 2.961 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.424 2.046 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.184 2.130 -2.718 1.00 0.00 H new ATOM 793 N LYS A 54 -3.870 -2.755 -8.316 1.00 0.00 N ATOM 794 CA LYS A 54 -4.255 -3.103 -9.678 1.00 0.00 C ATOM 795 C LYS A 54 -3.524 -4.358 -10.146 1.00 0.00 C ATOM 796 O LYS A 54 -4.148 -5.368 -10.466 1.00 0.00 O ATOM 797 CB LYS A 54 -3.955 -1.941 -10.628 1.00 0.00 C ATOM 798 CG LYS A 54 -5.109 -0.965 -10.777 1.00 0.00 C ATOM 799 CD LYS A 54 -4.893 -0.020 -11.947 1.00 0.00 C ATOM 800 CE LYS A 54 -6.174 0.712 -12.316 1.00 0.00 C ATOM 801 NZ LYS A 54 -7.102 -0.152 -13.097 1.00 0.00 N ATOM 0 H LYS A 54 -3.026 -2.187 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.326 -3.303 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.079 -1.403 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.699 -2.341 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.038 -1.517 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.220 -0.389 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.119 0.704 -11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.533 -0.582 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.672 1.052 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.930 1.601 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.932 0.403 -13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.614 -0.511 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.409 -0.952 -12.508 1.00 0.00 H new ATOM 815 N ASN A 55 -2.197 -4.285 -10.183 1.00 0.00 N ATOM 816 CA ASN A 55 -1.381 -5.415 -10.612 1.00 0.00 C ATOM 817 C ASN A 55 -0.908 -6.230 -9.412 1.00 0.00 C ATOM 818 O ASN A 55 -1.388 -7.339 -9.172 1.00 0.00 O ATOM 819 CB ASN A 55 -0.176 -4.925 -11.417 1.00 0.00 C ATOM 820 CG ASN A 55 0.388 -3.624 -10.879 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.317 -3.625 -10.071 1.00 0.00 O ATOM 822 ND2 ASN A 55 -0.172 -2.507 -11.326 1.00 0.00 N ATOM 0 H ASN A 55 -1.664 -3.455 -9.921 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.995 -6.055 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.602 -5.688 -11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.469 -4.788 -12.458 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.166 -1.601 -11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.940 -2.554 -11.996 1.00 0.00 H new ATOM 829 N LEU A 56 0.036 -5.673 -8.661 1.00 0.00 N ATOM 830 CA LEU A 56 0.575 -6.347 -7.485 1.00 0.00 C ATOM 831 C LEU A 56 -0.509 -7.152 -6.775 1.00 0.00 C ATOM 832 O LEU A 56 -0.321 -8.331 -6.469 1.00 0.00 O ATOM 833 CB LEU A 56 1.182 -5.326 -6.521 1.00 0.00 C ATOM 834 CG LEU A 56 2.349 -5.821 -5.667 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.488 -6.307 -6.549 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.829 -4.722 -4.730 1.00 0.00 C ATOM 0 H LEU A 56 0.444 -4.756 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 56 1.355 -7.034 -7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.520 -4.466 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.395 -4.972 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 56 2.002 -6.659 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.310 -6.655 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.138 -7.126 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.834 -5.488 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.660 -5.093 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.158 -3.863 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.013 -4.422 -4.073 1.00 0.00 H new ATOM 848 N LEU A 57 -1.643 -6.510 -6.517 1.00 0.00 N ATOM 849 CA LEU A 57 -2.758 -7.167 -5.845 1.00 0.00 C ATOM 850 C LEU A 57 -3.403 -8.210 -6.752 1.00 0.00 C ATOM 851 O LEU A 57 -3.994 -7.876 -7.779 1.00 0.00 O ATOM 852 CB LEU A 57 -3.801 -6.133 -5.416 1.00 0.00 C ATOM 853 CG LEU A 57 -4.983 -6.668 -4.606 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.534 -7.069 -3.209 1.00 0.00 C ATOM 855 CD2 LEU A 57 -6.093 -5.630 -4.534 1.00 0.00 C ATOM 0 H LEU A 57 -1.814 -5.535 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.370 -7.672 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.301 -5.365 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.190 -5.646 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.373 -7.553 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.388 -7.447 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.773 -7.846 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.119 -6.201 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.926 -6.028 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.716 -4.727 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.434 -5.391 -5.541 1.00 0.00 H new ATOM 867 N LYS A 58 -3.287 -9.476 -6.365 1.00 0.00 N ATOM 868 CA LYS A 58 -3.860 -10.569 -7.140 1.00 0.00 C ATOM 869 C LYS A 58 -5.249 -10.932 -6.625 1.00 0.00 C ATOM 870 O LYS A 58 -5.905 -11.827 -7.157 1.00 0.00 O ATOM 871 CB LYS A 58 -2.947 -11.796 -7.084 1.00 0.00 C ATOM 872 CG LYS A 58 -3.269 -12.843 -8.136 1.00 0.00 C ATOM 873 CD LYS A 58 -2.596 -12.526 -9.461 1.00 0.00 C ATOM 874 CE LYS A 58 -2.643 -13.715 -10.409 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.467 -14.612 -10.233 1.00 0.00 N ATOM 0 H LYS A 58 -2.801 -9.770 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.950 -10.238 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.913 -11.475 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.023 -12.250 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.944 -13.823 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.348 -12.897 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.087 -11.670 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.559 -12.241 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.559 -14.280 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.676 -13.358 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.536 -15.410 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.593 -14.080 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.449 -14.974 -9.258 1.00 0.00 H new ATOM 889 N GLU A 59 -5.692 -10.230 -5.586 1.00 0.00 N ATOM 890 CA GLU A 59 -7.004 -10.479 -5.000 1.00 0.00 C ATOM 891 C GLU A 59 -7.844 -9.206 -4.987 1.00 0.00 C ATOM 892 O GLU A 59 -7.438 -8.175 -5.524 1.00 0.00 O ATOM 893 CB GLU A 59 -6.856 -11.020 -3.576 1.00 0.00 C ATOM 894 CG GLU A 59 -6.202 -12.390 -3.510 1.00 0.00 C ATOM 895 CD GLU A 59 -6.687 -13.212 -2.332 1.00 0.00 C ATOM 896 OE1 GLU A 59 -7.905 -13.197 -2.059 1.00 0.00 O ATOM 897 OE2 GLU A 59 -5.847 -13.871 -1.683 1.00 0.00 O ATOM 0 H GLU A 59 -5.162 -9.485 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.513 -11.223 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.266 -10.316 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.841 -11.074 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.406 -12.931 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.121 -12.269 -3.443 1.00 0.00 H new ATOM 904 N ARG A 60 -9.019 -9.286 -4.371 1.00 0.00 N ATOM 905 CA ARG A 60 -9.919 -8.141 -4.289 1.00 0.00 C ATOM 906 C ARG A 60 -9.298 -7.020 -3.461 1.00 0.00 C ATOM 907 O ARG A 60 -8.792 -7.235 -2.359 1.00 0.00 O ATOM 908 CB ARG A 60 -11.257 -8.560 -3.678 1.00 0.00 C ATOM 909 CG ARG A 60 -12.278 -9.021 -4.706 1.00 0.00 C ATOM 910 CD ARG A 60 -13.122 -7.861 -5.212 1.00 0.00 C ATOM 911 NE ARG A 60 -14.321 -8.320 -5.907 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.342 -8.657 -7.192 1.00 0.00 C ATOM 913 NH1 ARG A 60 -13.234 -8.588 -7.917 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.473 -9.065 -7.754 1.00 0.00 N ATOM 0 H ARG A 60 -9.370 -10.132 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.089 -7.771 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.084 -9.365 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.670 -7.721 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.765 -9.492 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.926 -9.778 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.409 -7.228 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.526 -7.245 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.190 -8.386 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.363 -8.276 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.253 -8.847 -8.903 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.327 -9.120 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.488 -9.323 -8.741 1.00 0.00 H new ATOM 928 N PRO A 61 -9.336 -5.793 -4.003 1.00 0.00 N ATOM 929 CA PRO A 61 -8.782 -4.614 -3.331 1.00 0.00 C ATOM 930 C PRO A 61 -9.597 -4.206 -2.109 1.00 0.00 C ATOM 931 O PRO A 61 -9.052 -4.020 -1.022 1.00 0.00 O ATOM 932 CB PRO A 61 -8.851 -3.527 -4.407 1.00 0.00 C ATOM 933 CG PRO A 61 -9.954 -3.960 -5.311 1.00 0.00 C ATOM 934 CD PRO A 61 -9.923 -5.463 -5.312 1.00 0.00 C ATOM 0 HA PRO A 61 -7.776 -4.796 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.057 -2.550 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.907 -3.443 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.916 -3.590 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.811 -3.566 -6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.922 -5.885 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.320 -5.852 -6.132 1.00 0.00 H new ATOM 942 N GLU A 62 -10.906 -4.069 -2.296 1.00 0.00 N ATOM 943 CA GLU A 62 -11.796 -3.683 -1.207 1.00 0.00 C ATOM 944 C GLU A 62 -11.481 -4.473 0.060 1.00 0.00 C ATOM 945 O GLU A 62 -11.721 -4.005 1.174 1.00 0.00 O ATOM 946 CB GLU A 62 -13.256 -3.903 -1.609 1.00 0.00 C ATOM 947 CG GLU A 62 -13.759 -5.310 -1.329 1.00 0.00 C ATOM 948 CD GLU A 62 -14.455 -5.424 0.013 1.00 0.00 C ATOM 949 OE1 GLU A 62 -13.802 -5.164 1.045 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.654 -5.773 0.031 1.00 0.00 O ATOM 0 H GLU A 62 -11.373 -4.219 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.639 -2.624 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.883 -3.189 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.367 -3.691 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.449 -5.609 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.920 -6.005 -1.359 1.00 0.00 H new ATOM 957 N LEU A 63 -10.942 -5.674 -0.118 1.00 0.00 N ATOM 958 CA LEU A 63 -10.594 -6.532 1.010 1.00 0.00 C ATOM 959 C LEU A 63 -9.323 -6.040 1.695 1.00 0.00 C ATOM 960 O LEU A 63 -9.305 -5.817 2.906 1.00 0.00 O ATOM 961 CB LEU A 63 -10.408 -7.976 0.540 1.00 0.00 C ATOM 962 CG LEU A 63 -11.655 -8.859 0.577 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.847 -8.127 -0.021 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.405 -10.166 -0.162 1.00 0.00 C ATOM 0 H LEU A 63 -10.736 -6.076 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.411 -6.494 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.030 -7.958 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.639 -8.442 1.157 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.882 -9.090 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.725 -8.772 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.040 -7.219 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.631 -7.865 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.303 -10.782 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.152 -9.954 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.580 -10.699 0.310 1.00 0.00 H new ATOM 976 N PHE A 64 -8.262 -5.872 0.913 1.00 0.00 N ATOM 977 CA PHE A 64 -6.987 -5.406 1.444 1.00 0.00 C ATOM 978 C PHE A 64 -7.033 -3.908 1.731 1.00 0.00 C ATOM 979 O PHE A 64 -6.851 -3.478 2.871 1.00 0.00 O ATOM 980 CB PHE A 64 -5.857 -5.713 0.459 1.00 0.00 C ATOM 981 CG PHE A 64 -4.495 -5.345 0.975 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.997 -5.929 2.129 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.714 -4.417 0.307 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.744 -5.592 2.607 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.460 -4.076 0.779 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.975 -4.665 1.930 1.00 0.00 C ATOM 0 H PHE A 64 -8.260 -6.052 -0.091 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.797 -5.932 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.872 -6.777 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.041 -5.176 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.594 -6.655 2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.089 -3.954 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.367 -6.053 3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.861 -3.351 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.995 -4.401 2.301 1.00 0.00 H new ATOM 996 N ILE A 65 -7.276 -3.119 0.690 1.00 0.00 N ATOM 997 CA ILE A 65 -7.346 -1.670 0.831 1.00 0.00 C ATOM 998 C ILE A 65 -8.623 -1.118 0.206 1.00 0.00 C ATOM 999 O ILE A 65 -9.105 -1.634 -0.801 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.131 -0.982 0.180 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.850 -1.336 0.939 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.333 0.526 0.145 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.586 -1.016 0.172 1.00 0.00 C ATOM 0 H ILE A 65 -7.428 -3.459 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.345 -1.456 1.900 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.034 -1.340 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.837 -0.796 1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.861 -2.399 1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.467 0.999 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.226 0.760 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.451 0.901 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.718 -1.293 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.576 -1.576 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.552 0.052 -0.044 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.164 -0.065 0.811 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.385 0.557 0.313 1.00 0.00 C ATOM 1017 C GLN A 66 -10.118 1.985 -0.150 1.00 0.00 C ATOM 1018 O GLN A 66 -9.369 2.725 0.486 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.463 0.553 1.398 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.879 0.482 0.848 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.364 1.814 0.311 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.671 1.944 -0.874 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.436 2.813 1.183 1.00 0.00 N ATOM 0 H GLN A 66 -8.776 0.375 1.646 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.737 -0.023 -0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.297 -0.296 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.362 1.454 2.003 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.919 -0.262 0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.554 0.144 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.171 2.661 2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.756 3.733 0.880 1.00 0.00 H new ATOM 1032 N GLY A 67 -10.736 2.367 -1.264 1.00 0.00 N ATOM 1033 CA GLY A 67 -10.551 3.705 -1.794 1.00 0.00 C ATOM 1034 C GLY A 67 -9.191 3.892 -2.436 1.00 0.00 C ATOM 1035 O GLY A 67 -8.667 2.979 -3.074 1.00 0.00 O ATOM 0 H GLY A 67 -11.361 1.773 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.328 3.911 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.673 4.431 -0.990 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.618 5.079 -2.269 1.00 0.00 N ATOM 1040 CA ASP A 68 -7.310 5.383 -2.838 1.00 0.00 C ATOM 1041 C ASP A 68 -6.214 5.241 -1.787 1.00 0.00 C ATOM 1042 O ASP A 68 -5.038 5.089 -2.118 1.00 0.00 O ATOM 1043 CB ASP A 68 -7.299 6.799 -3.415 1.00 0.00 C ATOM 1044 CG ASP A 68 -8.196 7.747 -2.644 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.747 8.274 -1.605 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -9.348 7.960 -3.078 1.00 0.00 O ATOM 0 H ASP A 68 -9.038 5.846 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.115 4.670 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.279 7.183 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.620 6.766 -4.456 1.00 0.00 H new ATOM 1051 N SER A 69 -6.607 5.291 -0.518 1.00 0.00 N ATOM 1052 CA SER A 69 -5.657 5.172 0.582 1.00 0.00 C ATOM 1053 C SER A 69 -5.751 3.796 1.235 1.00 0.00 C ATOM 1054 O SER A 69 -6.660 3.019 0.943 1.00 0.00 O ATOM 1055 CB SER A 69 -5.913 6.262 1.625 1.00 0.00 C ATOM 1056 OG SER A 69 -5.171 7.433 1.331 1.00 0.00 O ATOM 0 H SER A 69 -7.577 5.413 -0.226 1.00 0.00 H new ATOM 0 HA SER A 69 -4.653 5.295 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.976 6.499 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.641 5.894 2.614 1.00 0.00 H new ATOM 0 HG SER A 69 -5.172 8.026 2.111 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.804 3.502 2.120 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.779 2.221 2.816 1.00 0.00 C ATOM 1064 C VAL A 70 -5.856 2.159 3.893 1.00 0.00 C ATOM 1065 O VAL A 70 -6.088 3.133 4.610 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.406 1.961 3.463 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.330 1.822 2.397 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.058 3.074 4.440 1.00 0.00 C ATOM 0 H VAL A 70 -4.044 4.134 2.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.972 1.451 2.069 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.458 1.024 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.367 1.639 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.574 0.987 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.276 2.740 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.085 2.874 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.025 4.026 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.815 3.121 5.223 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.512 1.008 4.001 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.566 0.819 4.990 1.00 0.00 C ATOM 1080 C ARG A 71 -7.113 1.302 6.365 1.00 0.00 C ATOM 1081 O ARG A 71 -5.923 1.475 6.629 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.969 -0.655 5.062 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.121 -1.016 4.139 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.551 -2.463 4.325 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.563 -2.604 5.368 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.864 -2.438 5.156 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -12.308 -2.127 3.946 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.724 -2.583 6.156 1.00 0.00 N ATOM 0 H ARG A 71 -6.332 0.192 3.416 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.429 1.409 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.106 -1.272 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.246 -0.898 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.966 -0.356 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.823 -0.854 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.944 -2.848 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.682 -3.070 4.579 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.254 -2.843 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.650 -2.015 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.307 -2.000 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.386 -2.822 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.723 -2.455 5.992 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.084 1.524 7.263 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.810 1.990 8.626 1.00 0.00 C ATOM 1104 C PRO A 72 -7.133 0.922 9.478 1.00 0.00 C ATOM 1105 O PRO A 72 -6.893 1.123 10.668 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.202 2.310 9.178 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.129 1.451 8.390 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.524 1.339 7.018 1.00 0.00 C ATOM 0 HA PRO A 72 -7.126 2.839 8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.266 2.088 10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.442 3.366 9.057 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.237 0.469 8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.125 1.892 8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.733 0.370 6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.917 2.099 6.342 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.826 -0.215 8.860 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.178 -1.297 9.578 1.00 0.00 C ATOM 1118 C GLY A 73 -4.785 -1.589 9.054 1.00 0.00 C ATOM 1119 O GLY A 73 -3.889 -1.944 9.820 1.00 0.00 O ATOM 0 H GLY A 73 -7.014 -0.406 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.119 -1.042 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.788 -2.197 9.500 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.604 -1.440 7.746 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.311 -1.690 7.122 1.00 0.00 C ATOM 1125 C ILE A 74 -2.292 -0.629 7.523 1.00 0.00 C ATOM 1126 O ILE A 74 -2.453 0.552 7.211 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.424 -1.722 5.586 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.588 -2.619 5.157 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.121 -2.205 4.969 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.334 -4.091 5.392 1.00 0.00 C ATOM 0 H ILE A 74 -5.336 -1.148 7.099 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.974 -2.665 7.474 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.619 -0.710 5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.485 -2.322 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.789 -2.458 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.217 -2.222 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.313 -1.530 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.898 -3.209 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.200 -4.666 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.456 -4.404 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.162 -4.266 6.454 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.242 -1.057 8.215 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.194 -0.144 8.658 1.00 0.00 C ATOM 1144 C LEU A 75 0.970 -0.132 7.672 1.00 0.00 C ATOM 1145 O LEU A 75 1.671 -1.131 7.511 1.00 0.00 O ATOM 1146 CB LEU A 75 0.304 -0.543 10.048 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.678 -0.327 11.200 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.183 -1.020 12.460 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.883 1.160 11.454 1.00 0.00 C ATOM 0 H LEU A 75 -1.094 -2.030 8.481 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.617 0.860 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.579 -1.597 10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.213 0.019 10.262 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.637 -0.764 10.922 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.894 -0.855 13.269 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.087 -2.090 12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.788 -0.612 12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.585 1.295 12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.071 1.620 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.282 1.631 10.556 1.00 0.00 H new ATOM 1161 N VAL A 76 1.172 1.007 7.017 1.00 0.00 N ATOM 1162 CA VAL A 76 2.253 1.151 6.049 1.00 0.00 C ATOM 1163 C VAL A 76 3.448 1.871 6.664 1.00 0.00 C ATOM 1164 O VAL A 76 3.297 2.673 7.586 1.00 0.00 O ATOM 1165 CB VAL A 76 1.789 1.923 4.800 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.472 1.364 4.284 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.664 3.407 5.108 1.00 0.00 C ATOM 0 H VAL A 76 0.601 1.843 7.139 1.00 0.00 H new ATOM 0 HA VAL A 76 2.551 0.145 5.754 1.00 0.00 H new ATOM 0 HB VAL A 76 2.539 1.799 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.161 1.923 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.600 0.314 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.290 1.455 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.335 3.938 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.935 3.553 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.632 3.796 5.425 1.00 0.00 H new ATOM 1177 N LEU A 77 4.637 1.580 6.147 1.00 0.00 N ATOM 1178 CA LEU A 77 5.860 2.201 6.644 1.00 0.00 C ATOM 1179 C LEU A 77 6.841 2.458 5.505 1.00 0.00 C ATOM 1180 O LEU A 77 7.125 1.568 4.703 1.00 0.00 O ATOM 1181 CB LEU A 77 6.512 1.311 7.703 1.00 0.00 C ATOM 1182 CG LEU A 77 6.046 1.529 9.143 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.131 0.233 9.934 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.871 2.619 9.811 1.00 0.00 C ATOM 0 H LEU A 77 4.780 0.918 5.384 1.00 0.00 H new ATOM 0 HA LEU A 77 5.596 3.158 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.329 0.270 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.590 1.465 7.664 1.00 0.00 H new ATOM 0 HG LEU A 77 5.005 1.850 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.795 0.408 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.496 -0.520 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.163 -0.119 9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.526 2.761 10.835 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.921 2.327 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.758 3.551 9.258 1.00 0.00 H new ATOM 1196 N ILE A 78 7.359 3.681 5.442 1.00 0.00 N ATOM 1197 CA ILE A 78 8.311 4.054 4.404 1.00 0.00 C ATOM 1198 C ILE A 78 9.719 4.189 4.973 1.00 0.00 C ATOM 1199 O ILE A 78 9.980 5.046 5.815 1.00 0.00 O ATOM 1200 CB ILE A 78 7.914 5.379 3.726 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.531 5.254 3.084 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.953 5.774 2.687 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.790 6.569 2.986 1.00 0.00 C ATOM 0 H ILE A 78 7.135 4.429 6.098 1.00 0.00 H new ATOM 0 HA ILE A 78 8.297 3.257 3.661 1.00 0.00 H new ATOM 0 HB ILE A 78 7.872 6.160 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.640 4.832 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.932 4.551 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.659 6.712 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.922 5.899 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.024 4.994 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.818 6.405 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.650 6.983 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.368 7.268 2.382 1.00 0.00 H new ATOM 1215 N ASN A 79 10.625 3.336 4.504 1.00 0.00 N ATOM 1216 CA ASN A 79 12.008 3.360 4.966 1.00 0.00 C ATOM 1217 C ASN A 79 12.078 3.239 6.485 1.00 0.00 C ATOM 1218 O ASN A 79 12.886 3.901 7.135 1.00 0.00 O ATOM 1219 CB ASN A 79 12.695 4.651 4.514 1.00 0.00 C ATOM 1220 CG ASN A 79 12.795 4.756 3.005 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.749 3.749 2.297 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.931 5.978 2.504 1.00 0.00 N ATOM 0 H ASN A 79 10.426 2.620 3.805 1.00 0.00 H new ATOM 0 HA ASN A 79 12.526 2.507 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.142 5.508 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.695 4.697 4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.002 6.111 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.964 6.784 3.128 1.00 0.00 H new ATOM 1229 N ASP A 80 11.225 2.387 7.044 1.00 0.00 N ATOM 1230 CA ASP A 80 11.190 2.177 8.487 1.00 0.00 C ATOM 1231 C ASP A 80 10.757 3.448 9.211 1.00 0.00 C ATOM 1232 O ASP A 80 11.376 3.856 10.192 1.00 0.00 O ATOM 1233 CB ASP A 80 12.562 1.730 8.992 1.00 0.00 C ATOM 1234 CG ASP A 80 13.032 0.447 8.334 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.520 -0.631 8.703 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.911 0.520 7.450 1.00 0.00 O ATOM 0 H ASP A 80 10.549 1.831 6.520 1.00 0.00 H new ATOM 0 HA ASP A 80 10.461 1.394 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.290 2.519 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.519 1.587 10.072 1.00 0.00 H new ATOM 1241 N ALA A 81 9.690 4.069 8.719 1.00 0.00 N ATOM 1242 CA ALA A 81 9.173 5.292 9.320 1.00 0.00 C ATOM 1243 C ALA A 81 7.712 5.514 8.944 1.00 0.00 C ATOM 1244 O ALA A 81 7.355 5.500 7.765 1.00 0.00 O ATOM 1245 CB ALA A 81 10.017 6.485 8.895 1.00 0.00 C ATOM 0 H ALA A 81 9.167 3.745 7.906 1.00 0.00 H new ATOM 0 HA ALA A 81 9.229 5.188 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.620 7.392 9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.047 6.336 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.989 6.582 7.810 1.00 0.00 H new ATOM 1251 N ASP A 82 6.871 5.718 9.952 1.00 0.00 N ATOM 1252 CA ASP A 82 5.448 5.944 9.726 1.00 0.00 C ATOM 1253 C ASP A 82 5.227 6.877 8.540 1.00 0.00 C ATOM 1254 O ASP A 82 5.793 7.969 8.483 1.00 0.00 O ATOM 1255 CB ASP A 82 4.798 6.530 10.981 1.00 0.00 C ATOM 1256 CG ASP A 82 3.315 6.229 11.059 1.00 0.00 C ATOM 1257 OD1 ASP A 82 2.952 5.175 11.623 1.00 0.00 O ATOM 1258 OD2 ASP A 82 2.516 7.047 10.556 1.00 0.00 O ATOM 0 H ASP A 82 7.150 5.732 10.933 1.00 0.00 H new ATOM 0 HA ASP A 82 4.984 4.984 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.294 6.129 11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.948 7.610 10.994 1.00 0.00 H new ATOM 1263 N TRP A 83 4.402 6.439 7.596 1.00 0.00 N ATOM 1264 CA TRP A 83 4.107 7.236 6.410 1.00 0.00 C ATOM 1265 C TRP A 83 3.309 8.482 6.776 1.00 0.00 C ATOM 1266 O TRP A 83 3.349 9.486 6.065 1.00 0.00 O ATOM 1267 CB TRP A 83 3.333 6.400 5.389 1.00 0.00 C ATOM 1268 CG TRP A 83 1.914 6.135 5.793 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.466 5.794 7.037 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.759 6.186 4.949 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.102 5.631 7.018 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.356 5.866 5.748 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.557 6.473 3.596 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.651 5.825 5.237 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.728 6.431 3.090 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.819 6.110 3.909 1.00 0.00 C ATOM 0 H TRP A 83 3.926 5.538 7.628 1.00 0.00 H new ATOM 0 HA TRP A 83 5.053 7.551 5.969 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.340 6.915 4.428 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.846 5.449 5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.092 5.671 7.908 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.476 5.376 7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.391 6.723 2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.493 5.577 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.895 6.649 2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.812 6.087 3.484 1.00 0.00 H new ATOM 1287 N GLU A 84 2.584 8.410 7.888 1.00 0.00 N ATOM 1288 CA GLU A 84 1.776 9.534 8.346 1.00 0.00 C ATOM 1289 C GLU A 84 2.661 10.702 8.772 1.00 0.00 C ATOM 1290 O GLU A 84 2.340 11.864 8.519 1.00 0.00 O ATOM 1291 CB GLU A 84 0.882 9.106 9.512 1.00 0.00 C ATOM 1292 CG GLU A 84 0.162 7.789 9.275 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.660 7.350 10.471 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -0.106 7.315 11.590 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.856 7.042 10.289 1.00 0.00 O ATOM 0 H GLU A 84 2.540 7.586 8.488 1.00 0.00 H new ATOM 0 HA GLU A 84 1.148 9.859 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.490 9.021 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.144 9.886 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.490 7.887 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.894 7.017 9.039 1.00 0.00 H new ATOM 1302 N LEU A 85 3.776 10.386 9.422 1.00 0.00 N ATOM 1303 CA LEU A 85 4.708 11.408 9.884 1.00 0.00 C ATOM 1304 C LEU A 85 5.313 12.167 8.707 1.00 0.00 C ATOM 1305 O LEU A 85 5.537 13.375 8.783 1.00 0.00 O ATOM 1306 CB LEU A 85 5.820 10.772 10.721 1.00 0.00 C ATOM 1307 CG LEU A 85 5.555 10.671 12.224 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.335 9.804 12.493 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.775 10.117 12.944 1.00 0.00 C ATOM 0 H LEU A 85 4.056 9.430 9.641 1.00 0.00 H new ATOM 0 HA LEU A 85 4.155 12.115 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.008 9.769 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.734 11.347 10.571 1.00 0.00 H new ATOM 0 HG LEU A 85 5.356 11.672 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.162 9.743 13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.463 10.243 12.009 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.505 8.803 12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.569 10.052 14.012 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.006 9.124 12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.626 10.777 12.778 1.00 0.00 H new ATOM 1321 N LEU A 86 5.573 11.450 7.619 1.00 0.00 N ATOM 1322 CA LEU A 86 6.150 12.055 6.424 1.00 0.00 C ATOM 1323 C LEU A 86 5.060 12.624 5.521 1.00 0.00 C ATOM 1324 O LEU A 86 4.940 13.838 5.364 1.00 0.00 O ATOM 1325 CB LEU A 86 6.978 11.024 5.655 1.00 0.00 C ATOM 1326 CG LEU A 86 7.810 10.063 6.504 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.969 8.726 5.798 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.171 10.669 6.815 1.00 0.00 C ATOM 0 H LEU A 86 5.393 10.449 7.540 1.00 0.00 H new ATOM 0 HA LEU A 86 6.799 12.872 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.303 10.436 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.650 11.556 4.981 1.00 0.00 H new ATOM 0 HG LEU A 86 7.286 9.893 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.564 8.056 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.987 8.286 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.470 8.877 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.750 9.972 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.702 10.869 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.037 11.601 7.364 1.00 0.00 H new ATOM 1340 N GLY A 87 4.264 11.737 4.931 1.00 0.00 N ATOM 1341 CA GLY A 87 3.192 12.170 4.054 1.00 0.00 C ATOM 1342 C GLY A 87 2.338 11.016 3.569 1.00 0.00 C ATOM 1343 O GLY A 87 2.613 10.428 2.523 1.00 0.00 O ATOM 0 H GLY A 87 4.343 10.726 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.563 12.887 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.617 12.690 3.195 1.00 0.00 H new ATOM 1347 N GLU A 88 1.300 10.689 4.332 1.00 0.00 N ATOM 1348 CA GLU A 88 0.404 9.594 3.975 1.00 0.00 C ATOM 1349 C GLU A 88 0.257 9.485 2.460 1.00 0.00 C ATOM 1350 O GLU A 88 0.520 8.434 1.873 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.969 9.799 4.618 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.944 9.746 6.136 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.332 9.657 6.740 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.237 10.367 6.255 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.512 8.877 7.698 1.00 0.00 O ATOM 0 H GLU A 88 1.058 11.166 5.201 1.00 0.00 H new ATOM 0 HA GLU A 88 0.837 8.666 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.368 10.763 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.652 9.035 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.357 8.885 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.442 10.635 6.519 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.165 10.577 1.832 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.348 10.605 0.385 1.00 0.00 C ATOM 1364 C LEU A 89 0.509 11.694 -0.252 1.00 0.00 C ATOM 1365 O LEU A 89 0.917 11.580 -1.408 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.821 10.834 0.042 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.803 9.785 0.564 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.238 10.240 0.344 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.558 8.443 -0.110 1.00 0.00 C ATOM 0 H LEU A 89 -0.387 11.455 2.302 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.033 9.641 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.118 11.807 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.917 10.885 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.642 9.666 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.922 9.481 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.408 11.177 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.413 10.389 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.266 7.708 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.691 8.547 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.541 8.111 0.100 1.00 0.00 H new ATOM 1381 N ASP A 90 0.781 12.747 0.511 1.00 0.00 N ATOM 1382 CA ASP A 90 1.593 13.855 0.023 1.00 0.00 C ATOM 1383 C ASP A 90 3.024 13.402 -0.249 1.00 0.00 C ATOM 1384 O ASP A 90 3.733 14.002 -1.057 1.00 0.00 O ATOM 1385 CB ASP A 90 1.592 15.001 1.036 1.00 0.00 C ATOM 1386 CG ASP A 90 0.363 15.880 0.914 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.707 15.478 1.418 1.00 0.00 O ATOM 1388 OD2 ASP A 90 0.470 16.971 0.314 1.00 0.00 O ATOM 0 H ASP A 90 0.451 12.856 1.470 1.00 0.00 H new ATOM 0 HA ASP A 90 1.158 14.207 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.643 14.591 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.486 15.609 0.894 1.00 0.00 H new ATOM 1393 N TYR A 91 3.442 12.340 0.431 1.00 0.00 N ATOM 1394 CA TYR A 91 4.789 11.808 0.265 1.00 0.00 C ATOM 1395 C TYR A 91 5.005 11.303 -1.158 1.00 0.00 C ATOM 1396 O TYR A 91 4.187 10.554 -1.692 1.00 0.00 O ATOM 1397 CB TYR A 91 5.040 10.677 1.264 1.00 0.00 C ATOM 1398 CG TYR A 91 6.490 10.259 1.354 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.065 9.459 0.375 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.285 10.664 2.419 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.390 9.074 0.453 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.611 10.286 2.505 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.159 9.490 1.520 1.00 0.00 C ATOM 1404 OH TYR A 91 10.478 9.110 1.603 1.00 0.00 O ATOM 0 H TYR A 91 2.867 11.831 1.102 1.00 0.00 H new ATOM 0 HA TYR A 91 5.496 12.615 0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.700 10.993 2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.439 9.813 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.466 9.132 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.859 11.285 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.821 8.451 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.215 10.612 3.339 1.00 0.00 H new ATOM 0 HH TYR A 91 10.877 9.488 2.414 1.00 0.00 H new ATOM 1414 N GLN A 92 6.111 11.718 -1.766 1.00 0.00 N ATOM 1415 CA GLN A 92 6.435 11.308 -3.127 1.00 0.00 C ATOM 1416 C GLN A 92 7.598 10.322 -3.136 1.00 0.00 C ATOM 1417 O GLN A 92 8.758 10.712 -2.997 1.00 0.00 O ATOM 1418 CB GLN A 92 6.779 12.529 -3.982 1.00 0.00 C ATOM 1419 CG GLN A 92 5.694 13.594 -3.986 1.00 0.00 C ATOM 1420 CD GLN A 92 6.120 14.858 -4.706 1.00 0.00 C ATOM 1421 OE1 GLN A 92 7.201 15.394 -4.458 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.272 15.342 -5.606 1.00 0.00 N ATOM 0 H GLN A 92 6.798 12.338 -1.338 1.00 0.00 H new ATOM 0 HA GLN A 92 5.560 10.813 -3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.707 12.969 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.962 12.205 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.799 13.194 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.426 13.839 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.387 14.866 -5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.506 16.190 -6.123 1.00 0.00 H new ATOM 1431 N LEU A 93 7.281 9.042 -3.301 1.00 0.00 N ATOM 1432 CA LEU A 93 8.300 7.999 -3.328 1.00 0.00 C ATOM 1433 C LEU A 93 9.380 8.319 -4.356 1.00 0.00 C ATOM 1434 O LEU A 93 9.079 8.682 -5.493 1.00 0.00 O ATOM 1435 CB LEU A 93 7.663 6.644 -3.645 1.00 0.00 C ATOM 1436 CG LEU A 93 6.788 6.040 -2.547 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.604 4.547 -2.771 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.394 6.304 -1.176 1.00 0.00 C ATOM 0 H LEU A 93 6.326 8.702 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 93 8.764 7.954 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.058 6.751 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.459 5.937 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 93 5.808 6.516 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.978 4.135 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.125 4.380 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.576 4.055 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.758 5.867 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.386 5.856 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.473 7.379 -1.014 1.00 0.00 H new ATOM 1450 N GLN A 94 10.637 8.180 -3.949 1.00 0.00 N ATOM 1451 CA GLN A 94 11.762 8.453 -4.836 1.00 0.00 C ATOM 1452 C GLN A 94 12.386 7.156 -5.339 1.00 0.00 C ATOM 1453 O GLN A 94 11.881 6.066 -5.068 1.00 0.00 O ATOM 1454 CB GLN A 94 12.816 9.294 -4.114 1.00 0.00 C ATOM 1455 CG GLN A 94 12.349 10.702 -3.783 1.00 0.00 C ATOM 1456 CD GLN A 94 13.500 11.675 -3.619 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.793 12.127 -2.511 1.00 0.00 O ATOM 1458 NE2 GLN A 94 14.162 12.002 -4.722 1.00 0.00 N ATOM 0 H GLN A 94 10.902 7.880 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 94 11.388 9.011 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.102 8.789 -3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.710 9.353 -4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.688 11.057 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.763 10.680 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.886 11.604 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.947 12.651 -4.672 1.00 0.00 H new ATOM 1467 N ASP A 95 13.486 7.280 -6.074 1.00 0.00 N ATOM 1468 CA ASP A 95 14.180 6.117 -6.615 1.00 0.00 C ATOM 1469 C ASP A 95 14.889 5.344 -5.507 1.00 0.00 C ATOM 1470 O ASP A 95 15.426 5.935 -4.571 1.00 0.00 O ATOM 1471 CB ASP A 95 15.190 6.549 -7.679 1.00 0.00 C ATOM 1472 CG ASP A 95 16.487 7.052 -7.077 1.00 0.00 C ATOM 1473 OD1 ASP A 95 17.347 6.213 -6.736 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.642 8.284 -6.947 1.00 0.00 O ATOM 0 H ASP A 95 13.916 8.175 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 95 13.439 5.462 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.401 5.707 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.751 7.333 -8.295 1.00 0.00 H new ATOM 1479 N GLN A 96 14.885 4.020 -5.621 1.00 0.00 N ATOM 1480 CA GLN A 96 15.526 3.166 -4.628 1.00 0.00 C ATOM 1481 C GLN A 96 14.912 3.380 -3.248 1.00 0.00 C ATOM 1482 O GLN A 96 15.626 3.556 -2.261 1.00 0.00 O ATOM 1483 CB GLN A 96 17.029 3.445 -4.579 1.00 0.00 C ATOM 1484 CG GLN A 96 17.743 3.162 -5.891 1.00 0.00 C ATOM 1485 CD GLN A 96 17.912 1.678 -6.155 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.308 0.919 -5.270 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.611 1.256 -7.378 1.00 0.00 N ATOM 0 H GLN A 96 14.445 3.515 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 96 15.365 2.128 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.188 4.488 -4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.477 2.838 -3.793 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.182 3.611 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.723 3.639 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.286 1.920 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.705 0.268 -7.614 1.00 0.00 H new ATOM 1496 N ASP A 97 13.585 3.364 -3.188 1.00 0.00 N ATOM 1497 CA ASP A 97 12.875 3.555 -1.929 1.00 0.00 C ATOM 1498 C ASP A 97 12.460 2.215 -1.330 1.00 0.00 C ATOM 1499 O ASP A 97 12.516 1.182 -1.997 1.00 0.00 O ATOM 1500 CB ASP A 97 11.643 4.436 -2.143 1.00 0.00 C ATOM 1501 CG ASP A 97 11.988 5.911 -2.197 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.024 6.257 -2.804 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.223 6.721 -1.634 1.00 0.00 O ATOM 0 H ASP A 97 12.980 3.221 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 97 13.550 4.050 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.150 4.147 -3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.931 4.262 -1.336 1.00 0.00 H new ATOM 1508 N SER A 98 12.044 2.240 -0.068 1.00 0.00 N ATOM 1509 CA SER A 98 11.624 1.027 0.623 1.00 0.00 C ATOM 1510 C SER A 98 10.283 1.235 1.320 1.00 0.00 C ATOM 1511 O SER A 98 10.125 2.156 2.123 1.00 0.00 O ATOM 1512 CB SER A 98 12.682 0.603 1.644 1.00 0.00 C ATOM 1513 OG SER A 98 12.194 -0.425 2.488 1.00 0.00 O ATOM 0 H SER A 98 11.989 3.087 0.497 1.00 0.00 H new ATOM 0 HA SER A 98 11.509 0.237 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.575 0.257 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.976 1.463 2.246 1.00 0.00 H new ATOM 0 HG SER A 98 12.890 -0.679 3.130 1.00 0.00 H new ATOM 1519 N ILE A 99 9.321 0.374 1.008 1.00 0.00 N ATOM 1520 CA ILE A 99 7.994 0.462 1.605 1.00 0.00 C ATOM 1521 C ILE A 99 7.592 -0.861 2.249 1.00 0.00 C ATOM 1522 O ILE A 99 8.044 -1.929 1.834 1.00 0.00 O ATOM 1523 CB ILE A 99 6.932 0.855 0.560 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.518 1.846 -0.447 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.710 1.447 1.245 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.841 3.197 0.153 1.00 0.00 C ATOM 0 H ILE A 99 9.435 -0.393 0.345 1.00 0.00 H new ATOM 0 HA ILE A 99 8.043 1.236 2.371 1.00 0.00 H new ATOM 0 HB ILE A 99 6.624 -0.041 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.426 1.422 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.811 1.981 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.968 1.720 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.283 0.711 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.002 2.335 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.253 3.848 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.932 3.642 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.572 3.075 0.953 1.00 0.00 H new ATOM 1538 N LEU A 100 6.739 -0.782 3.264 1.00 0.00 N ATOM 1539 CA LEU A 100 6.273 -1.973 3.966 1.00 0.00 C ATOM 1540 C LEU A 100 4.802 -1.841 4.346 1.00 0.00 C ATOM 1541 O LEU A 100 4.315 -0.742 4.612 1.00 0.00 O ATOM 1542 CB LEU A 100 7.116 -2.213 5.220 1.00 0.00 C ATOM 1543 CG LEU A 100 6.519 -3.163 6.259 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.807 -4.609 5.888 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.062 -2.847 7.645 1.00 0.00 C ATOM 0 H LEU A 100 6.356 0.094 3.619 1.00 0.00 H new ATOM 0 HA LEU A 100 6.381 -2.825 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.085 -2.606 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.300 -1.251 5.699 1.00 0.00 H new ATOM 0 HG LEU A 100 5.438 -3.022 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.375 -5.270 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.368 -4.829 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.885 -4.766 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.626 -3.533 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.146 -2.959 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.803 -1.823 7.912 1.00 0.00 H new ATOM 1557 N PHE A 101 4.099 -2.969 4.371 1.00 0.00 N ATOM 1558 CA PHE A 101 2.683 -2.980 4.720 1.00 0.00 C ATOM 1559 C PHE A 101 2.386 -4.061 5.755 1.00 0.00 C ATOM 1560 O PHE A 101 2.916 -5.171 5.678 1.00 0.00 O ATOM 1561 CB PHE A 101 1.830 -3.205 3.471 1.00 0.00 C ATOM 1562 CG PHE A 101 1.771 -2.011 2.561 1.00 0.00 C ATOM 1563 CD1 PHE A 101 2.918 -1.534 1.948 1.00 0.00 C ATOM 1564 CD2 PHE A 101 0.569 -1.367 2.319 1.00 0.00 C ATOM 1565 CE1 PHE A 101 2.867 -0.435 1.111 1.00 0.00 C ATOM 1566 CE2 PHE A 101 0.512 -0.267 1.483 1.00 0.00 C ATOM 1567 CZ PHE A 101 1.662 0.198 0.878 1.00 0.00 C ATOM 0 H PHE A 101 4.487 -3.887 4.154 1.00 0.00 H new ATOM 0 HA PHE A 101 2.433 -2.011 5.152 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.229 -4.055 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.817 -3.470 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.863 -2.026 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.334 -1.728 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.768 -0.072 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -0.431 0.228 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.620 1.056 0.223 1.00 0.00 H new ATOM 1577 N ILE A 102 1.537 -3.730 6.722 1.00 0.00 N ATOM 1578 CA ILE A 102 1.169 -4.672 7.771 1.00 0.00 C ATOM 1579 C ILE A 102 -0.344 -4.837 7.856 1.00 0.00 C ATOM 1580 O ILE A 102 -1.084 -3.854 7.904 1.00 0.00 O ATOM 1581 CB ILE A 102 1.703 -4.223 9.144 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.210 -4.475 9.237 1.00 0.00 C ATOM 1583 CG2 ILE A 102 0.969 -4.949 10.261 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.048 -3.307 8.768 1.00 0.00 C ATOM 0 H ILE A 102 1.091 -2.816 6.801 1.00 0.00 H new ATOM 0 HA ILE A 102 1.622 -5.628 7.509 1.00 0.00 H new ATOM 0 HB ILE A 102 1.525 -3.153 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.469 -4.705 10.271 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.461 -5.353 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.358 -4.621 11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.096 -4.723 10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.118 -6.024 10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.105 -3.556 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.818 -3.090 7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.826 -2.432 9.378 1.00 0.00 H new ATOM 1596 N SER A 103 -0.798 -6.086 7.876 1.00 0.00 N ATOM 1597 CA SER A 103 -2.224 -6.380 7.954 1.00 0.00 C ATOM 1598 C SER A 103 -2.643 -6.664 9.393 1.00 0.00 C ATOM 1599 O SER A 103 -2.456 -7.771 9.900 1.00 0.00 O ATOM 1600 CB SER A 103 -2.569 -7.576 7.065 1.00 0.00 C ATOM 1601 OG SER A 103 -3.920 -7.967 7.237 1.00 0.00 O ATOM 0 H SER A 103 -0.199 -6.911 7.839 1.00 0.00 H new ATOM 0 HA SER A 103 -2.770 -5.505 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.392 -7.320 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.912 -8.412 7.304 1.00 0.00 H new ATOM 0 HG SER A 103 -4.116 -8.732 6.657 1.00 0.00 H new ATOM 1607 N THR A 104 -3.211 -5.656 10.048 1.00 0.00 N ATOM 1608 CA THR A 104 -3.655 -5.796 11.429 1.00 0.00 C ATOM 1609 C THR A 104 -5.153 -5.541 11.553 1.00 0.00 C ATOM 1610 O THR A 104 -5.595 -4.780 12.415 1.00 0.00 O ATOM 1611 CB THR A 104 -2.903 -4.828 12.362 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.117 -3.476 11.941 1.00 0.00 O ATOM 1613 CG2 THR A 104 -1.412 -5.132 12.368 1.00 0.00 C ATOM 0 H THR A 104 -3.374 -4.734 9.644 1.00 0.00 H new ATOM 0 HA THR A 104 -3.437 -6.821 11.729 1.00 0.00 H new ATOM 0 HB THR A 104 -3.289 -4.959 13.373 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.565 -3.472 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.901 -4.436 13.034 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.250 -6.152 12.716 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.015 -5.026 11.358 1.00 0.00 H new ATOM 1621 N LEU A 105 -5.931 -6.182 10.687 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.381 -6.025 10.701 1.00 0.00 C ATOM 1623 C LEU A 105 -8.073 -7.316 10.272 1.00 0.00 C ATOM 1624 O LEU A 105 -7.630 -7.990 9.341 1.00 0.00 O ATOM 1625 CB LEU A 105 -7.799 -4.879 9.777 1.00 0.00 C ATOM 1626 CG LEU A 105 -8.105 -5.262 8.329 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -9.526 -5.789 8.205 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -7.894 -4.070 7.407 1.00 0.00 C ATOM 0 H LEU A 105 -5.582 -6.815 9.967 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.686 -5.792 11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.683 -4.402 10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.004 -4.133 9.774 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.419 -6.054 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.726 -6.056 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.644 -6.670 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.229 -5.019 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.116 -4.360 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.556 -3.257 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.858 -3.737 7.474 1.00 0.00 H new ATOM 1640 N HIS A 106 -9.161 -7.653 10.956 1.00 0.00 N ATOM 1641 CA HIS A 106 -9.916 -8.862 10.645 1.00 0.00 C ATOM 1642 C HIS A 106 -11.038 -8.562 9.656 1.00 0.00 C ATOM 1643 O HIS A 106 -11.207 -9.266 8.661 1.00 0.00 O ATOM 1644 CB HIS A 106 -10.495 -9.470 11.922 1.00 0.00 C ATOM 1645 CG HIS A 106 -9.458 -10.053 12.832 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -8.947 -11.324 12.674 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -8.834 -9.530 13.914 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -8.055 -11.558 13.620 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -7.968 -10.485 14.386 1.00 0.00 N ATOM 0 H HIS A 106 -9.540 -7.106 11.729 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.234 -9.579 10.188 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.049 -8.702 12.461 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.209 -10.248 11.653 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.989 -8.545 14.329 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -7.492 -12.471 13.746 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.357 -10.383 15.196 1.00 0.00 H new ATOM 1658 N GLY A 107 -11.804 -7.512 9.938 1.00 0.00 N ATOM 1659 CA GLY A 107 -12.901 -7.139 9.064 1.00 0.00 C ATOM 1660 C GLY A 107 -13.820 -8.304 8.756 1.00 0.00 C ATOM 1661 O GLY A 107 -13.562 -9.433 9.171 1.00 0.00 O ATOM 0 H GLY A 107 -11.684 -6.914 10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.477 -6.340 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.500 -6.741 8.132 1.00 0.00 H new ATOM 1665 N GLY A 108 -14.897 -8.030 8.026 1.00 0.00 N ATOM 1666 CA GLY A 108 -15.842 -9.075 7.677 1.00 0.00 C ATOM 1667 C GLY A 108 -17.274 -8.578 7.657 1.00 0.00 C ATOM 1668 O GLY A 108 -17.544 -7.428 8.002 1.00 0.00 O ATOM 0 H GLY A 108 -15.132 -7.103 7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -15.587 -9.479 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.755 -9.893 8.392 1.00 0.00 H new ATOM 1672 N SER A 109 -18.195 -9.447 7.251 1.00 0.00 N ATOM 1673 CA SER A 109 -19.606 -9.088 7.182 1.00 0.00 C ATOM 1674 C SER A 109 -20.192 -8.915 8.580 1.00 0.00 C ATOM 1675 O SER A 109 -20.729 -9.856 9.161 1.00 0.00 O ATOM 1676 CB SER A 109 -20.389 -10.158 6.418 1.00 0.00 C ATOM 1677 OG SER A 109 -20.125 -10.087 5.027 1.00 0.00 O ATOM 0 H SER A 109 -17.989 -10.404 6.965 1.00 0.00 H new ATOM 0 HA SER A 109 -19.688 -8.139 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.121 -11.146 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.457 -10.028 6.596 1.00 0.00 H new ATOM 0 HG SER A 109 -20.636 -10.782 4.561 1.00 0.00 H new ATOM 1683 N GLY A 110 -20.083 -7.702 9.114 1.00 0.00 N ATOM 1684 CA GLY A 110 -20.606 -7.426 10.440 1.00 0.00 C ATOM 1685 C GLY A 110 -22.101 -7.179 10.433 1.00 0.00 C ATOM 1686 O GLY A 110 -22.906 -8.110 10.467 1.00 0.00 O ATOM 0 H GLY A 110 -19.642 -6.906 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.383 -8.266 11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.099 -6.554 10.853 1.00 0.00 H new ATOM 1690 N PRO A 111 -22.493 -5.897 10.391 1.00 0.00 N ATOM 1691 CA PRO A 111 -23.904 -5.500 10.381 1.00 0.00 C ATOM 1692 C PRO A 111 -24.597 -5.857 9.071 1.00 0.00 C ATOM 1693 O PRO A 111 -24.655 -5.046 8.147 1.00 0.00 O ATOM 1694 CB PRO A 111 -23.847 -3.981 10.559 1.00 0.00 C ATOM 1695 CG PRO A 111 -22.508 -3.588 10.035 1.00 0.00 C ATOM 1696 CD PRO A 111 -21.588 -4.735 10.349 1.00 0.00 C ATOM 0 HA PRO A 111 -24.477 -6.012 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -24.648 -3.488 10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -23.960 -3.701 11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -22.548 -3.402 8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -22.160 -2.668 10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -20.818 -4.853 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -21.075 -4.590 11.300 1.00 0.00 H new ATOM 1704 N SER A 112 -25.122 -7.076 8.997 1.00 0.00 N ATOM 1705 CA SER A 112 -25.809 -7.542 7.798 1.00 0.00 C ATOM 1706 C SER A 112 -27.134 -8.210 8.155 1.00 0.00 C ATOM 1707 O SER A 112 -27.160 -9.341 8.640 1.00 0.00 O ATOM 1708 CB SER A 112 -24.923 -8.520 7.025 1.00 0.00 C ATOM 1709 OG SER A 112 -23.865 -7.843 6.371 1.00 0.00 O ATOM 0 H SER A 112 -25.085 -7.759 9.754 1.00 0.00 H new ATOM 0 HA SER A 112 -26.017 -6.677 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 112 -24.515 -9.264 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 112 -25.524 -9.057 6.291 1.00 0.00 H new ATOM 0 HG SER A 112 -23.313 -8.491 5.886 1.00 0.00 H new ATOM 1715 N SER A 113 -28.231 -7.501 7.912 1.00 0.00 N ATOM 1716 CA SER A 113 -29.560 -8.022 8.212 1.00 0.00 C ATOM 1717 C SER A 113 -30.414 -8.089 6.949 1.00 0.00 C ATOM 1718 O SER A 113 -30.660 -7.074 6.298 1.00 0.00 O ATOM 1719 CB SER A 113 -30.249 -7.149 9.262 1.00 0.00 C ATOM 1720 OG SER A 113 -31.614 -7.501 9.402 1.00 0.00 O ATOM 0 H SER A 113 -28.226 -6.564 7.508 1.00 0.00 H new ATOM 0 HA SER A 113 -29.447 -9.031 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 113 -29.742 -7.259 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 113 -30.168 -6.100 8.977 1.00 0.00 H new ATOM 0 HG SER A 113 -32.031 -6.930 10.080 1.00 0.00 H new ATOM 1726 N GLY A 114 -30.864 -9.293 6.610 1.00 0.00 N ATOM 1727 CA GLY A 114 -31.686 -9.471 5.427 1.00 0.00 C ATOM 1728 C GLY A 114 -33.166 -9.336 5.723 1.00 0.00 C ATOM 1729 O GLY A 114 -34.007 -9.692 4.898 1.00 0.00 O ATOM 0 H GLY A 114 -30.674 -10.148 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -31.400 -8.735 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -31.493 -10.455 4.999 1.00 0.00 H new TER 1733 GLY A 114