USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.0852 USER MOD Set 2.2: A 3 SER OG : rot 23:sc= 0.3 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0204 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -97:sc= 0.376 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0444) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -70:sc= -0.879 USER MOD Single : A 25 THR OG1 : rot -120:sc= 0.0551 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.82 K(o=-1.8,f=-3!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -0.609 (180deg=-2.22!) USER MOD Single : A 35 ASN : amide:sc= -1.3! C(o=-1.3!,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0.00354 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0536) USER MOD Single : A 43 MET CE :methyl 148:sc= -0.068 (180deg=-1.02) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.15! C(o=-4.1!,f=-7.7!) USER MOD Single : A 46 MET CE :methyl -142:sc= -1.5 (180deg=-3.76!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= -0.913 (180deg=-3.22!) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0246) USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.629) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -139:sc= 0.0384 USER MOD Single : A 62 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.3) USER MOD Single : A 64 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -32:sc= 0.323 USER MOD Single : A 75 ASN : amide:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 81 GLN : amide:sc= -0.0645 K(o=-0.064,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= -3.34! C(o=-3.3!,f=-13!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -6.33! C(o=-6.3!,f=-16!) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0.587 (180deg=0.12) USER MOD Single : A 94 SER OG : rot 42:sc= 0.444 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 36:sc= 0.836 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.487 -6.975 15.024 1.00 0.00 N ATOM 2 CA GLY A 1 24.969 -8.343 14.960 1.00 0.00 C ATOM 3 C GLY A 1 26.480 -8.429 15.044 1.00 0.00 C ATOM 4 O GLY A 1 27.187 -7.546 14.558 1.00 0.00 O ATOM 0 H1 GLY A 1 23.670 -6.865 14.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.202 -6.753 15.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.244 -6.326 14.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.529 -8.918 15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.633 -8.800 14.029 1.00 0.00 H new ATOM 8 N SER A 2 26.977 -9.495 15.663 1.00 0.00 N ATOM 9 CA SER A 2 28.414 -9.691 15.814 1.00 0.00 C ATOM 10 C SER A 2 28.898 -10.852 14.950 1.00 0.00 C ATOM 11 O SER A 2 29.919 -10.750 14.269 1.00 0.00 O ATOM 12 CB SER A 2 28.764 -9.952 17.280 1.00 0.00 C ATOM 13 OG SER A 2 28.257 -11.203 17.711 1.00 0.00 O ATOM 0 H SER A 2 26.406 -10.236 16.068 1.00 0.00 H new ATOM 0 HA SER A 2 28.916 -8.781 15.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.846 -9.931 17.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.354 -9.156 17.902 1.00 0.00 H new ATOM 0 HG SER A 2 28.496 -11.347 18.651 1.00 0.00 H new ATOM 19 N SER A 3 28.158 -11.955 14.983 1.00 0.00 N ATOM 20 CA SER A 3 28.512 -13.137 14.207 1.00 0.00 C ATOM 21 C SER A 3 27.262 -13.839 13.685 1.00 0.00 C ATOM 22 O SER A 3 26.386 -14.228 14.457 1.00 0.00 O ATOM 23 CB SER A 3 29.335 -14.105 15.059 1.00 0.00 C ATOM 24 OG SER A 3 28.613 -14.515 16.207 1.00 0.00 O ATOM 0 H SER A 3 27.309 -12.055 15.539 1.00 0.00 H new ATOM 0 HA SER A 3 29.110 -12.815 13.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.605 -14.978 14.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.266 -13.626 15.363 1.00 0.00 H new ATOM 0 HG SER A 3 27.652 -14.412 16.043 1.00 0.00 H new ATOM 30 N GLY A 4 27.186 -13.997 12.367 1.00 0.00 N ATOM 31 CA GLY A 4 26.040 -14.651 11.762 1.00 0.00 C ATOM 32 C GLY A 4 25.927 -14.367 10.278 1.00 0.00 C ATOM 33 O GLY A 4 25.050 -13.617 9.848 1.00 0.00 O ATOM 0 H GLY A 4 27.898 -13.684 11.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.116 -15.727 11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.130 -14.319 12.263 1.00 0.00 H new ATOM 37 N SER A 5 26.816 -14.965 9.492 1.00 0.00 N ATOM 38 CA SER A 5 26.815 -14.767 8.047 1.00 0.00 C ATOM 39 C SER A 5 27.469 -15.949 7.337 1.00 0.00 C ATOM 40 O SER A 5 28.485 -16.475 7.790 1.00 0.00 O ATOM 41 CB SER A 5 27.548 -13.473 7.688 1.00 0.00 C ATOM 42 OG SER A 5 27.169 -13.013 6.402 1.00 0.00 O ATOM 0 H SER A 5 27.546 -15.591 9.831 1.00 0.00 H new ATOM 0 HA SER A 5 25.779 -14.693 7.715 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.326 -12.707 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.625 -13.641 7.715 1.00 0.00 H new ATOM 0 HG SER A 5 27.650 -12.184 6.196 1.00 0.00 H new ATOM 48 N SER A 6 26.877 -16.361 6.220 1.00 0.00 N ATOM 49 CA SER A 6 27.398 -17.482 5.448 1.00 0.00 C ATOM 50 C SER A 6 28.242 -16.990 4.276 1.00 0.00 C ATOM 51 O SER A 6 27.777 -16.210 3.447 1.00 0.00 O ATOM 52 CB SER A 6 26.249 -18.352 4.934 1.00 0.00 C ATOM 53 OG SER A 6 26.739 -19.501 4.265 1.00 0.00 O ATOM 0 H SER A 6 26.036 -15.935 5.830 1.00 0.00 H new ATOM 0 HA SER A 6 28.032 -18.079 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.617 -18.655 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.624 -17.771 4.256 1.00 0.00 H new ATOM 0 HG SER A 6 26.756 -19.335 3.299 1.00 0.00 H new ATOM 59 N GLY A 7 29.487 -17.453 4.216 1.00 0.00 N ATOM 60 CA GLY A 7 30.377 -17.050 3.143 1.00 0.00 C ATOM 61 C GLY A 7 29.733 -17.179 1.776 1.00 0.00 C ATOM 62 O GLY A 7 29.577 -16.191 1.058 1.00 0.00 O ATOM 0 H GLY A 7 29.895 -18.100 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.685 -16.016 3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 7 31.280 -17.660 3.175 1.00 0.00 H new ATOM 66 N LYS A 8 29.360 -18.402 1.413 1.00 0.00 N ATOM 67 CA LYS A 8 28.731 -18.659 0.124 1.00 0.00 C ATOM 68 C LYS A 8 27.211 -18.631 0.245 1.00 0.00 C ATOM 69 O LYS A 8 26.666 -18.656 1.349 1.00 0.00 O ATOM 70 CB LYS A 8 29.184 -20.013 -0.427 1.00 0.00 C ATOM 71 CG LYS A 8 28.785 -21.190 0.447 1.00 0.00 C ATOM 72 CD LYS A 8 27.374 -21.662 0.137 1.00 0.00 C ATOM 73 CE LYS A 8 27.055 -22.969 0.846 1.00 0.00 C ATOM 74 NZ LYS A 8 27.447 -24.152 0.031 1.00 0.00 N ATOM 0 H LYS A 8 29.483 -19.231 1.995 1.00 0.00 H new ATOM 0 HA LYS A 8 29.038 -17.872 -0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 8 28.761 -20.151 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 30.268 -20.006 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 8 29.486 -22.011 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.852 -20.904 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 8 26.659 -20.898 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 27.261 -21.794 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.575 -22.999 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.987 -23.014 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.213 -25.023 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.932 -24.137 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 28.470 -24.123 -0.153 1.00 0.00 H new ATOM 88 N SER A 9 26.531 -18.580 -0.896 1.00 0.00 N ATOM 89 CA SER A 9 25.073 -18.546 -0.917 1.00 0.00 C ATOM 90 C SER A 9 24.549 -18.622 -2.348 1.00 0.00 C ATOM 91 O SER A 9 25.252 -18.275 -3.297 1.00 0.00 O ATOM 92 CB SER A 9 24.562 -17.273 -0.241 1.00 0.00 C ATOM 93 OG SER A 9 24.695 -16.152 -1.097 1.00 0.00 O ATOM 0 H SER A 9 26.966 -18.561 -1.818 1.00 0.00 H new ATOM 0 HA SER A 9 24.705 -19.413 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.516 -17.400 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 25.118 -17.099 0.680 1.00 0.00 H new ATOM 0 HG SER A 9 24.360 -15.351 -0.642 1.00 0.00 H new ATOM 99 N ILE A 10 23.309 -19.077 -2.494 1.00 0.00 N ATOM 100 CA ILE A 10 22.689 -19.197 -3.807 1.00 0.00 C ATOM 101 C ILE A 10 22.534 -17.831 -4.469 1.00 0.00 C ATOM 102 O ILE A 10 22.362 -16.818 -3.791 1.00 0.00 O ATOM 103 CB ILE A 10 21.308 -19.872 -3.719 1.00 0.00 C ATOM 104 CG1 ILE A 10 20.211 -18.819 -3.550 1.00 0.00 C ATOM 105 CG2 ILE A 10 21.277 -20.865 -2.567 1.00 0.00 C ATOM 106 CD1 ILE A 10 20.389 -17.951 -2.324 1.00 0.00 C ATOM 0 H ILE A 10 22.714 -19.369 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 10 23.350 -19.819 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 10 21.125 -20.414 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 10 20.190 -18.183 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.244 -19.319 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.294 -21.334 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 22.037 -21.630 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.477 -20.343 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.575 -17.228 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 10 20.380 -18.576 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.340 -17.422 -2.387 1.00 0.00 H new ATOM 118 N ARG A 11 22.594 -17.813 -5.796 1.00 0.00 N ATOM 119 CA ARG A 11 22.459 -16.572 -6.550 1.00 0.00 C ATOM 120 C ARG A 11 21.057 -16.442 -7.136 1.00 0.00 C ATOM 121 O ARG A 11 20.444 -15.375 -7.078 1.00 0.00 O ATOM 122 CB ARG A 11 23.499 -16.515 -7.670 1.00 0.00 C ATOM 123 CG ARG A 11 23.783 -15.107 -8.166 1.00 0.00 C ATOM 124 CD ARG A 11 24.702 -14.356 -7.216 1.00 0.00 C ATOM 125 NE ARG A 11 25.371 -13.235 -7.872 1.00 0.00 N ATOM 126 CZ ARG A 11 26.515 -12.711 -7.447 1.00 0.00 C ATOM 127 NH1 ARG A 11 27.115 -13.203 -6.372 1.00 0.00 N ATOM 128 NH2 ARG A 11 27.061 -11.692 -8.098 1.00 0.00 N ATOM 0 H ARG A 11 22.735 -18.643 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 11 22.627 -15.740 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.428 -16.960 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.154 -17.123 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.240 -15.154 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.845 -14.562 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.124 -13.987 -6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.450 -15.042 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 11 24.936 -12.833 -8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.698 -13.986 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.994 -12.798 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.602 -11.311 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.940 -11.290 -7.771 1.00 0.00 H new ATOM 142 N LEU A 12 20.554 -17.534 -7.702 1.00 0.00 N ATOM 143 CA LEU A 12 19.223 -17.542 -8.300 1.00 0.00 C ATOM 144 C LEU A 12 18.143 -17.581 -7.224 1.00 0.00 C ATOM 145 O LEU A 12 17.681 -18.652 -6.832 1.00 0.00 O ATOM 146 CB LEU A 12 19.071 -18.743 -9.235 1.00 0.00 C ATOM 147 CG LEU A 12 19.735 -18.615 -10.606 1.00 0.00 C ATOM 148 CD1 LEU A 12 21.206 -18.993 -10.523 1.00 0.00 C ATOM 149 CD2 LEU A 12 19.017 -19.481 -11.630 1.00 0.00 C ATOM 0 H LEU A 12 21.047 -18.425 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 12 19.104 -16.624 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.481 -19.621 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 18.007 -18.929 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 12 19.665 -17.576 -10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 12 21.663 -18.896 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.713 -18.331 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.298 -20.024 -10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.504 -19.377 -12.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.055 -20.524 -11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.977 -19.164 -11.710 1.00 0.00 H new ATOM 161 N ALA A 13 17.743 -16.404 -6.752 1.00 0.00 N ATOM 162 CA ALA A 13 16.713 -16.303 -5.725 1.00 0.00 C ATOM 163 C ALA A 13 16.200 -14.873 -5.602 1.00 0.00 C ATOM 164 O ALA A 13 16.595 -13.992 -6.365 1.00 0.00 O ATOM 165 CB ALA A 13 17.253 -16.789 -4.388 1.00 0.00 C ATOM 0 H ALA A 13 18.117 -15.508 -7.064 1.00 0.00 H new ATOM 0 HA ALA A 13 15.877 -16.937 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 13 16.474 -16.708 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.565 -17.829 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.107 -16.178 -4.097 1.00 0.00 H new ATOM 171 N LYS A 14 15.315 -14.648 -4.635 1.00 0.00 N ATOM 172 CA LYS A 14 14.747 -13.324 -4.411 1.00 0.00 C ATOM 173 C LYS A 14 15.340 -12.682 -3.161 1.00 0.00 C ATOM 174 O LYS A 14 14.652 -11.964 -2.436 1.00 0.00 O ATOM 175 CB LYS A 14 13.225 -13.416 -4.277 1.00 0.00 C ATOM 176 CG LYS A 14 12.766 -14.060 -2.980 1.00 0.00 C ATOM 177 CD LYS A 14 12.564 -15.557 -3.142 1.00 0.00 C ATOM 178 CE LYS A 14 12.846 -16.301 -1.846 1.00 0.00 C ATOM 179 NZ LYS A 14 13.076 -17.754 -2.078 1.00 0.00 N ATOM 0 H LYS A 14 14.976 -15.366 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 14 14.993 -12.700 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.802 -12.414 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.829 -13.987 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.504 -13.874 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.834 -13.599 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.541 -15.755 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.221 -15.931 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.721 -15.868 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.007 -16.171 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.265 -18.225 -1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.231 -18.173 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.893 -17.880 -2.709 1.00 0.00 H new ATOM 193 N GLU A 15 16.619 -12.946 -2.915 1.00 0.00 N ATOM 194 CA GLU A 15 17.303 -12.393 -1.753 1.00 0.00 C ATOM 195 C GLU A 15 17.310 -10.867 -1.800 1.00 0.00 C ATOM 196 O GLU A 15 17.011 -10.203 -0.807 1.00 0.00 O ATOM 197 CB GLU A 15 18.739 -12.917 -1.680 1.00 0.00 C ATOM 198 CG GLU A 15 19.337 -12.863 -0.284 1.00 0.00 C ATOM 199 CD GLU A 15 18.762 -13.920 0.638 1.00 0.00 C ATOM 200 OE1 GLU A 15 19.222 -15.079 0.574 1.00 0.00 O ATOM 201 OE2 GLU A 15 17.851 -13.587 1.425 1.00 0.00 O ATOM 0 H GLU A 15 17.202 -13.539 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 15 16.762 -12.710 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.759 -13.947 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.364 -12.334 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 15 20.417 -12.993 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.160 -11.877 0.145 1.00 0.00 H new ATOM 208 N LYS A 16 17.653 -10.319 -2.960 1.00 0.00 N ATOM 209 CA LYS A 16 17.698 -8.872 -3.139 1.00 0.00 C ATOM 210 C LYS A 16 16.510 -8.202 -2.457 1.00 0.00 C ATOM 211 O LYS A 16 16.592 -7.046 -2.045 1.00 0.00 O ATOM 212 CB LYS A 16 17.709 -8.523 -4.629 1.00 0.00 C ATOM 213 CG LYS A 16 16.549 -9.124 -5.403 1.00 0.00 C ATOM 214 CD LYS A 16 16.658 -8.830 -6.890 1.00 0.00 C ATOM 215 CE LYS A 16 15.465 -9.379 -7.656 1.00 0.00 C ATOM 216 NZ LYS A 16 15.466 -10.868 -7.693 1.00 0.00 N ATOM 0 H LYS A 16 17.904 -10.855 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 16 18.614 -8.502 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.686 -7.439 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.645 -8.868 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.525 -10.202 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.610 -8.725 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.727 -7.753 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.576 -9.268 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.543 -9.028 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.477 -8.991 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.994 -11.194 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.446 -11.215 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.958 -11.236 -6.864 1.00 0.00 H new ATOM 230 N GLU A 17 15.408 -8.937 -2.341 1.00 0.00 N ATOM 231 CA GLU A 17 14.204 -8.412 -1.708 1.00 0.00 C ATOM 232 C GLU A 17 14.555 -7.581 -0.477 1.00 0.00 C ATOM 233 O GLU A 17 13.892 -6.589 -0.175 1.00 0.00 O ATOM 234 CB GLU A 17 13.268 -9.557 -1.315 1.00 0.00 C ATOM 235 CG GLU A 17 13.814 -10.434 -0.201 1.00 0.00 C ATOM 236 CD GLU A 17 13.568 -9.850 1.176 1.00 0.00 C ATOM 237 OE1 GLU A 17 12.519 -9.200 1.367 1.00 0.00 O ATOM 238 OE2 GLU A 17 14.425 -10.043 2.064 1.00 0.00 O ATOM 0 H GLU A 17 15.324 -9.897 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 17 13.697 -7.768 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.310 -9.141 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.076 -10.175 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.353 -11.420 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.885 -10.574 -0.346 1.00 0.00 H new ATOM 245 N SER A 18 15.601 -7.995 0.230 1.00 0.00 N ATOM 246 CA SER A 18 16.038 -7.292 1.431 1.00 0.00 C ATOM 247 C SER A 18 16.160 -5.794 1.170 1.00 0.00 C ATOM 248 O SER A 18 15.707 -4.975 1.969 1.00 0.00 O ATOM 249 CB SER A 18 17.379 -7.848 1.914 1.00 0.00 C ATOM 250 OG SER A 18 17.962 -7.000 2.888 1.00 0.00 O ATOM 0 H SER A 18 16.162 -8.813 -0.008 1.00 0.00 H new ATOM 0 HA SER A 18 15.288 -7.448 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.233 -8.843 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.058 -7.955 1.068 1.00 0.00 H new ATOM 0 HG SER A 18 18.817 -7.378 3.181 1.00 0.00 H new ATOM 256 N GLN A 19 16.777 -5.444 0.045 1.00 0.00 N ATOM 257 CA GLN A 19 16.960 -4.045 -0.322 1.00 0.00 C ATOM 258 C GLN A 19 15.623 -3.312 -0.357 1.00 0.00 C ATOM 259 O GLN A 19 15.494 -2.210 0.176 1.00 0.00 O ATOM 260 CB GLN A 19 17.649 -3.939 -1.683 1.00 0.00 C ATOM 261 CG GLN A 19 17.703 -2.521 -2.229 1.00 0.00 C ATOM 262 CD GLN A 19 18.700 -2.369 -3.361 1.00 0.00 C ATOM 263 OE1 GLN A 19 19.029 -3.336 -4.048 1.00 0.00 O ATOM 264 NE2 GLN A 19 19.187 -1.150 -3.561 1.00 0.00 N ATOM 0 H GLN A 19 17.158 -6.110 -0.627 1.00 0.00 H new ATOM 0 HA GLN A 19 17.590 -3.577 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.665 -4.326 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.125 -4.575 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.712 -2.233 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.966 -1.835 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.886 -0.377 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 19 19.862 -0.987 -4.308 1.00 0.00 H new ATOM 273 N ALA A 20 14.631 -3.931 -0.988 1.00 0.00 N ATOM 274 CA ALA A 20 13.303 -3.338 -1.092 1.00 0.00 C ATOM 275 C ALA A 20 12.769 -2.945 0.282 1.00 0.00 C ATOM 276 O ALA A 20 12.474 -1.777 0.532 1.00 0.00 O ATOM 277 CB ALA A 20 12.346 -4.303 -1.776 1.00 0.00 C ATOM 0 H ALA A 20 14.722 -4.843 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 20 13.382 -2.434 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.358 -3.847 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.713 -4.531 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.280 -5.223 -1.195 1.00 0.00 H new ATOM 283 N ASP A 21 12.647 -3.928 1.167 1.00 0.00 N ATOM 284 CA ASP A 21 12.149 -3.685 2.516 1.00 0.00 C ATOM 285 C ASP A 21 13.054 -2.710 3.262 1.00 0.00 C ATOM 286 O ASP A 21 12.600 -1.676 3.753 1.00 0.00 O ATOM 287 CB ASP A 21 12.046 -5.000 3.290 1.00 0.00 C ATOM 288 CG ASP A 21 11.303 -4.843 4.602 1.00 0.00 C ATOM 289 OD1 ASP A 21 10.077 -4.608 4.564 1.00 0.00 O ATOM 290 OD2 ASP A 21 11.947 -4.956 5.666 1.00 0.00 O ATOM 0 H ASP A 21 12.886 -4.901 0.975 1.00 0.00 H new ATOM 0 HA ASP A 21 11.156 -3.242 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.537 -5.742 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.048 -5.382 3.487 1.00 0.00 H new ATOM 295 N TYR A 22 14.336 -3.047 3.345 1.00 0.00 N ATOM 296 CA TYR A 22 15.305 -2.204 4.035 1.00 0.00 C ATOM 297 C TYR A 22 14.978 -0.726 3.841 1.00 0.00 C ATOM 298 O TYR A 22 15.161 0.086 4.748 1.00 0.00 O ATOM 299 CB TYR A 22 16.719 -2.495 3.527 1.00 0.00 C ATOM 300 CG TYR A 22 17.773 -1.583 4.115 1.00 0.00 C ATOM 301 CD1 TYR A 22 17.901 -0.269 3.682 1.00 0.00 C ATOM 302 CD2 TYR A 22 18.640 -2.036 5.101 1.00 0.00 C ATOM 303 CE1 TYR A 22 18.863 0.567 4.215 1.00 0.00 C ATOM 304 CE2 TYR A 22 19.604 -1.207 5.640 1.00 0.00 C ATOM 305 CZ TYR A 22 19.711 0.094 5.194 1.00 0.00 C ATOM 306 OH TYR A 22 20.671 0.923 5.728 1.00 0.00 O ATOM 0 H TYR A 22 14.728 -3.898 2.943 1.00 0.00 H new ATOM 0 HA TYR A 22 15.254 -2.433 5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 22 16.974 -3.529 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.733 -2.400 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.238 0.105 2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 22 18.559 -3.054 5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 22 18.950 1.586 3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 22 20.270 -1.575 6.406 1.00 0.00 H new ATOM 0 HH TYR A 22 21.184 0.436 6.406 1.00 0.00 H new ATOM 316 N ILE A 23 14.491 -0.386 2.652 1.00 0.00 N ATOM 317 CA ILE A 23 14.136 0.992 2.338 1.00 0.00 C ATOM 318 C ILE A 23 12.700 1.297 2.752 1.00 0.00 C ATOM 319 O ILE A 23 12.440 2.276 3.451 1.00 0.00 O ATOM 320 CB ILE A 23 14.299 1.287 0.835 1.00 0.00 C ATOM 321 CG1 ILE A 23 15.753 1.080 0.408 1.00 0.00 C ATOM 322 CG2 ILE A 23 13.846 2.706 0.522 1.00 0.00 C ATOM 323 CD1 ILE A 23 15.903 0.644 -1.033 1.00 0.00 C ATOM 0 H ILE A 23 14.333 -1.046 1.891 1.00 0.00 H new ATOM 0 HA ILE A 23 14.818 1.630 2.901 1.00 0.00 H new ATOM 0 HB ILE A 23 13.673 0.594 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.303 2.009 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.210 0.332 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.967 2.900 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.797 2.822 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.449 3.414 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.960 0.516 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.382 -0.301 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.476 1.402 -1.689 1.00 0.00 H new ATOM 335 N SER A 24 11.772 0.451 2.316 1.00 0.00 N ATOM 336 CA SER A 24 10.362 0.631 2.640 1.00 0.00 C ATOM 337 C SER A 24 10.177 0.910 4.128 1.00 0.00 C ATOM 338 O SER A 24 9.388 1.772 4.518 1.00 0.00 O ATOM 339 CB SER A 24 9.562 -0.610 2.239 1.00 0.00 C ATOM 340 OG SER A 24 9.169 -0.546 0.879 1.00 0.00 O ATOM 0 H SER A 24 11.971 -0.365 1.738 1.00 0.00 H new ATOM 0 HA SER A 24 9.993 1.490 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.164 -1.504 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.679 -0.698 2.872 1.00 0.00 H new ATOM 0 HG SER A 24 8.487 0.149 0.768 1.00 0.00 H new ATOM 346 N THR A 25 10.910 0.173 4.957 1.00 0.00 N ATOM 347 CA THR A 25 10.828 0.339 6.403 1.00 0.00 C ATOM 348 C THR A 25 10.592 1.798 6.777 1.00 0.00 C ATOM 349 O THR A 25 9.905 2.095 7.754 1.00 0.00 O ATOM 350 CB THR A 25 12.109 -0.157 7.099 1.00 0.00 C ATOM 351 OG1 THR A 25 13.263 0.322 6.400 1.00 0.00 O ATOM 352 CG2 THR A 25 12.140 -1.677 7.158 1.00 0.00 C ATOM 0 H THR A 25 11.567 -0.545 4.652 1.00 0.00 H new ATOM 0 HA THR A 25 9.984 -0.261 6.742 1.00 0.00 H new ATOM 0 HB THR A 25 12.115 0.230 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.798 -0.439 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.054 -2.003 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.276 -2.037 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.112 -2.081 6.146 1.00 0.00 H new ATOM 360 N TYR A 26 11.165 2.704 5.994 1.00 0.00 N ATOM 361 CA TYR A 26 11.018 4.133 6.244 1.00 0.00 C ATOM 362 C TYR A 26 10.511 4.855 4.999 1.00 0.00 C ATOM 363 O TYR A 26 11.266 5.103 4.059 1.00 0.00 O ATOM 364 CB TYR A 26 12.353 4.734 6.687 1.00 0.00 C ATOM 365 CG TYR A 26 13.480 4.493 5.709 1.00 0.00 C ATOM 366 CD1 TYR A 26 13.742 5.394 4.684 1.00 0.00 C ATOM 367 CD2 TYR A 26 14.284 3.364 5.809 1.00 0.00 C ATOM 368 CE1 TYR A 26 14.770 5.177 3.787 1.00 0.00 C ATOM 369 CE2 TYR A 26 15.315 3.140 4.918 1.00 0.00 C ATOM 370 CZ TYR A 26 15.554 4.049 3.909 1.00 0.00 C ATOM 371 OH TYR A 26 16.580 3.828 3.018 1.00 0.00 O ATOM 0 H TYR A 26 11.736 2.475 5.180 1.00 0.00 H new ATOM 0 HA TYR A 26 10.286 4.263 7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.229 5.808 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.627 4.315 7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.131 6.279 4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.099 2.649 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.959 5.887 2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.931 2.258 5.011 1.00 0.00 H new ATOM 0 HH TYR A 26 17.035 2.990 3.244 1.00 0.00 H new ATOM 381 N VAL A 27 9.224 5.191 5.001 1.00 0.00 N ATOM 382 CA VAL A 27 8.614 5.886 3.874 1.00 0.00 C ATOM 383 C VAL A 27 7.420 6.720 4.325 1.00 0.00 C ATOM 384 O VAL A 27 6.820 6.451 5.365 1.00 0.00 O ATOM 385 CB VAL A 27 8.154 4.896 2.787 1.00 0.00 C ATOM 386 CG1 VAL A 27 6.935 4.116 3.256 1.00 0.00 C ATOM 387 CG2 VAL A 27 7.859 5.632 1.489 1.00 0.00 C ATOM 0 H VAL A 27 8.585 4.993 5.771 1.00 0.00 H new ATOM 0 HA VAL A 27 9.376 6.544 3.456 1.00 0.00 H new ATOM 0 HB VAL A 27 8.960 4.186 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.625 3.422 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.185 3.558 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.121 4.808 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.535 4.918 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.070 6.365 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.760 6.141 1.146 1.00 0.00 H new ATOM 397 N GLU A 28 7.081 7.733 3.533 1.00 0.00 N ATOM 398 CA GLU A 28 5.958 8.607 3.852 1.00 0.00 C ATOM 399 C GLU A 28 5.088 8.846 2.621 1.00 0.00 C ATOM 400 O GLU A 28 5.569 9.317 1.590 1.00 0.00 O ATOM 401 CB GLU A 28 6.463 9.944 4.400 1.00 0.00 C ATOM 402 CG GLU A 28 5.509 10.596 5.387 1.00 0.00 C ATOM 403 CD GLU A 28 5.545 9.940 6.753 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.583 9.334 7.093 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.535 10.031 7.482 1.00 0.00 O ATOM 0 H GLU A 28 7.567 7.968 2.668 1.00 0.00 H new ATOM 0 HA GLU A 28 5.353 8.115 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.425 9.787 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.634 10.627 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.762 11.651 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.494 10.548 4.992 1.00 0.00 H new ATOM 412 N TRP A 29 3.807 8.516 2.737 1.00 0.00 N ATOM 413 CA TRP A 29 2.870 8.694 1.633 1.00 0.00 C ATOM 414 C TRP A 29 1.762 9.671 2.012 1.00 0.00 C ATOM 415 O TRP A 29 1.096 9.502 3.033 1.00 0.00 O ATOM 416 CB TRP A 29 2.264 7.348 1.230 1.00 0.00 C ATOM 417 CG TRP A 29 3.209 6.478 0.459 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.314 5.837 0.944 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.134 6.155 -0.934 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.930 5.135 -0.064 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.226 5.313 -1.225 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.251 6.493 -1.962 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.455 4.808 -2.502 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.480 5.991 -3.229 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.574 5.155 -3.490 1.00 0.00 C ATOM 0 H TRP A 29 3.393 8.124 3.583 1.00 0.00 H new ATOM 0 HA TRP A 29 3.418 9.106 0.786 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.944 6.818 2.127 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.372 7.525 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.653 5.876 1.969 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.775 4.572 0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.404 7.135 -1.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.298 4.165 -2.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.804 6.247 -4.032 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.725 4.777 -4.490 1.00 0.00 H new ATOM 436 N GLN A 30 1.572 10.692 1.183 1.00 0.00 N ATOM 437 CA GLN A 30 0.544 11.696 1.433 1.00 0.00 C ATOM 438 C GLN A 30 -0.351 11.875 0.211 1.00 0.00 C ATOM 439 O GLN A 30 0.056 11.592 -0.916 1.00 0.00 O ATOM 440 CB GLN A 30 1.188 13.033 1.807 1.00 0.00 C ATOM 441 CG GLN A 30 2.205 12.924 2.931 1.00 0.00 C ATOM 442 CD GLN A 30 2.577 14.273 3.514 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.708 15.080 3.845 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.874 14.525 3.644 1.00 0.00 N ATOM 0 H GLN A 30 2.115 10.846 0.334 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.071 11.351 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.675 13.451 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.407 13.734 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.802 12.290 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.104 12.434 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.560 13.827 3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.184 15.416 4.031 1.00 0.00 H new ATOM 453 N TYR A 31 -1.572 12.344 0.442 1.00 0.00 N ATOM 454 CA TYR A 31 -2.526 12.558 -0.639 1.00 0.00 C ATOM 455 C TYR A 31 -2.987 14.011 -0.681 1.00 0.00 C ATOM 456 O TYR A 31 -3.249 14.621 0.357 1.00 0.00 O ATOM 457 CB TYR A 31 -3.733 11.633 -0.472 1.00 0.00 C ATOM 458 CG TYR A 31 -4.608 11.986 0.709 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.264 11.590 1.996 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.778 12.715 0.540 1.00 0.00 C ATOM 461 CE1 TYR A 31 -5.060 11.910 3.079 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.580 13.041 1.617 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.216 12.636 2.884 1.00 0.00 C ATOM 464 OH TYR A 31 -7.013 12.957 3.960 1.00 0.00 O ATOM 0 H TYR A 31 -1.924 12.583 1.369 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.027 12.328 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.334 11.666 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.381 10.608 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.359 11.022 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.066 13.033 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.778 11.593 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.486 13.609 1.467 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.788 13.471 3.651 1.00 0.00 H new ATOM 474 N ILE A 32 -3.085 14.560 -1.887 1.00 0.00 N ATOM 475 CA ILE A 32 -3.515 15.941 -2.065 1.00 0.00 C ATOM 476 C ILE A 32 -5.028 16.027 -2.241 1.00 0.00 C ATOM 477 O ILE A 32 -5.562 15.666 -3.289 1.00 0.00 O ATOM 478 CB ILE A 32 -2.830 16.592 -3.281 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.390 16.976 -2.937 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.614 17.813 -3.739 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.378 15.913 -3.302 1.00 0.00 C ATOM 0 H ILE A 32 -2.872 14.069 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.225 16.481 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.809 15.870 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.136 17.901 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.322 17.179 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.118 18.262 -4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.624 17.513 -4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.663 18.539 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.621 16.253 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.607 14.993 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.418 15.726 -4.375 1.00 0.00 H new ATOM 493 N ASP A 33 -5.712 16.509 -1.209 1.00 0.00 N ATOM 494 CA ASP A 33 -7.163 16.646 -1.250 1.00 0.00 C ATOM 495 C ASP A 33 -7.574 17.812 -2.144 1.00 0.00 C ATOM 496 O ASP A 33 -6.742 18.630 -2.538 1.00 0.00 O ATOM 497 CB ASP A 33 -7.718 16.847 0.160 1.00 0.00 C ATOM 498 CG ASP A 33 -9.225 16.697 0.217 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.711 15.550 0.125 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.919 17.726 0.353 1.00 0.00 O ATOM 0 H ASP A 33 -5.285 16.811 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.578 15.729 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.258 16.124 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.441 17.838 0.518 1.00 0.00 H new ATOM 505 N LYS A 34 -8.862 17.883 -2.460 1.00 0.00 N ATOM 506 CA LYS A 34 -9.385 18.949 -3.306 1.00 0.00 C ATOM 507 C LYS A 34 -8.547 20.216 -3.166 1.00 0.00 C ATOM 508 O LYS A 34 -7.782 20.568 -4.062 1.00 0.00 O ATOM 509 CB LYS A 34 -10.842 19.246 -2.946 1.00 0.00 C ATOM 510 CG LYS A 34 -11.761 18.045 -3.091 1.00 0.00 C ATOM 511 CD LYS A 34 -13.215 18.468 -3.222 1.00 0.00 C ATOM 512 CE LYS A 34 -13.545 18.896 -4.644 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.292 20.348 -4.859 1.00 0.00 N ATOM 0 H LYS A 34 -9.564 17.214 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.334 18.614 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.887 19.606 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.208 20.052 -3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.469 17.466 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.648 17.392 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.863 17.642 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.419 19.291 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.947 18.315 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.591 18.674 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.115 20.778 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.135 20.812 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.450 20.469 -5.457 1.00 0.00 H new ATOM 527 N ASN A 35 -8.698 20.897 -2.034 1.00 0.00 N ATOM 528 CA ASN A 35 -7.954 22.125 -1.776 1.00 0.00 C ATOM 529 C ASN A 35 -7.119 21.998 -0.505 1.00 0.00 C ATOM 530 O ASN A 35 -6.671 22.998 0.057 1.00 0.00 O ATOM 531 CB ASN A 35 -8.913 23.310 -1.653 1.00 0.00 C ATOM 532 CG ASN A 35 -8.197 24.599 -1.301 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.032 24.791 -1.650 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.892 25.491 -0.604 1.00 0.00 N ATOM 0 H ASN A 35 -9.328 20.619 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.281 22.296 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.448 23.440 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.659 23.092 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.462 26.377 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.855 25.290 -0.336 1.00 0.00 H new ATOM 541 N ILE A 36 -6.914 20.763 -0.059 1.00 0.00 N ATOM 542 CA ILE A 36 -6.132 20.506 1.143 1.00 0.00 C ATOM 543 C ILE A 36 -5.104 19.406 0.906 1.00 0.00 C ATOM 544 O ILE A 36 -5.332 18.487 0.118 1.00 0.00 O ATOM 545 CB ILE A 36 -7.034 20.104 2.326 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.241 21.039 2.416 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.243 20.124 3.625 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.396 20.621 1.534 1.00 0.00 C ATOM 0 H ILE A 36 -7.279 19.925 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.616 21.435 1.388 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.396 19.090 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.581 21.081 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.931 22.047 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.893 19.838 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.413 19.421 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.855 21.128 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.216 21.329 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.072 20.606 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.733 19.626 1.823 1.00 0.00 H new ATOM 560 N THR A 37 -3.970 19.504 1.593 1.00 0.00 N ATOM 561 CA THR A 37 -2.906 18.517 1.458 1.00 0.00 C ATOM 562 C THR A 37 -2.665 17.784 2.773 1.00 0.00 C ATOM 563 O THR A 37 -1.991 18.298 3.665 1.00 0.00 O ATOM 564 CB THR A 37 -1.589 19.170 0.998 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.819 19.967 -0.168 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.537 18.113 0.697 1.00 0.00 C ATOM 0 H THR A 37 -3.765 20.258 2.249 1.00 0.00 H new ATOM 0 HA THR A 37 -3.232 17.803 0.702 1.00 0.00 H new ATOM 0 HB THR A 37 -1.223 19.805 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.977 20.380 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.384 18.598 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.343 17.527 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.898 17.456 -0.094 1.00 0.00 H new ATOM 574 N GLN A 38 -3.220 16.582 2.886 1.00 0.00 N ATOM 575 CA GLN A 38 -3.064 15.779 4.093 1.00 0.00 C ATOM 576 C GLN A 38 -2.208 14.547 3.821 1.00 0.00 C ATOM 577 O GLN A 38 -1.857 14.264 2.675 1.00 0.00 O ATOM 578 CB GLN A 38 -4.433 15.356 4.629 1.00 0.00 C ATOM 579 CG GLN A 38 -5.286 16.519 5.108 1.00 0.00 C ATOM 580 CD GLN A 38 -6.259 16.119 6.200 1.00 0.00 C ATOM 581 OE1 GLN A 38 -7.448 15.926 5.946 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.758 15.992 7.423 1.00 0.00 N ATOM 0 H GLN A 38 -3.782 16.143 2.157 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.561 16.389 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.970 14.821 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.291 14.657 5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.637 17.312 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.841 16.929 4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.766 16.162 7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.365 15.725 8.198 1.00 0.00 H new ATOM 591 N CYS A 39 -1.874 13.819 4.881 1.00 0.00 N ATOM 592 CA CYS A 39 -1.057 12.617 4.756 1.00 0.00 C ATOM 593 C CYS A 39 -1.831 11.384 5.213 1.00 0.00 C ATOM 594 O CYS A 39 -2.891 11.496 5.829 1.00 0.00 O ATOM 595 CB CYS A 39 0.227 12.761 5.575 1.00 0.00 C ATOM 596 SG CYS A 39 -0.050 13.048 7.338 1.00 0.00 S ATOM 0 H CYS A 39 -2.156 14.040 5.836 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.797 12.491 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.825 11.858 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.812 13.587 5.171 1.00 0.00 H new ATOM 0 HG CYS A 39 1.094 13.154 7.945 1.00 0.00 H new ATOM 602 N PHE A 40 -1.294 10.208 4.906 1.00 0.00 N ATOM 603 CA PHE A 40 -1.934 8.954 5.283 1.00 0.00 C ATOM 604 C PHE A 40 -1.453 8.487 6.654 1.00 0.00 C ATOM 605 O PHE A 40 -0.487 9.021 7.199 1.00 0.00 O ATOM 606 CB PHE A 40 -1.648 7.876 4.235 1.00 0.00 C ATOM 607 CG PHE A 40 -2.435 8.048 2.967 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.792 7.767 2.935 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.819 8.492 1.809 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.518 7.924 1.769 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.540 8.651 0.640 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.891 8.368 0.621 1.00 0.00 C ATOM 0 H PHE A 40 -0.417 10.098 4.397 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.009 9.125 5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.584 7.885 3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.871 6.898 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.287 7.422 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.763 8.717 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.574 7.700 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.047 8.996 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.457 8.494 -0.290 1.00 0.00 H new ATOM 622 N ASP A 41 -2.133 7.488 7.204 1.00 0.00 N ATOM 623 CA ASP A 41 -1.776 6.948 8.511 1.00 0.00 C ATOM 624 C ASP A 41 -0.620 5.960 8.393 1.00 0.00 C ATOM 625 O ASP A 41 -0.196 5.612 7.291 1.00 0.00 O ATOM 626 CB ASP A 41 -2.984 6.264 9.152 1.00 0.00 C ATOM 627 CG ASP A 41 -4.079 7.246 9.518 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.749 8.353 9.995 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.266 6.910 9.327 1.00 0.00 O ATOM 0 H ASP A 41 -2.935 7.035 6.765 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.459 7.777 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.383 5.519 8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.663 5.731 10.047 1.00 0.00 H new ATOM 634 N LYS A 42 -0.112 5.512 9.536 1.00 0.00 N ATOM 635 CA LYS A 42 0.995 4.564 9.563 1.00 0.00 C ATOM 636 C LYS A 42 0.546 3.188 9.081 1.00 0.00 C ATOM 637 O LYS A 42 1.366 2.357 8.694 1.00 0.00 O ATOM 638 CB LYS A 42 1.569 4.458 10.977 1.00 0.00 C ATOM 639 CG LYS A 42 0.611 3.835 11.978 1.00 0.00 C ATOM 640 CD LYS A 42 -0.257 4.887 12.648 1.00 0.00 C ATOM 641 CE LYS A 42 -0.663 4.464 14.051 1.00 0.00 C ATOM 642 NZ LYS A 42 0.465 4.586 15.016 1.00 0.00 N ATOM 0 H LYS A 42 -0.450 5.791 10.457 1.00 0.00 H new ATOM 0 HA LYS A 42 1.770 4.930 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.484 3.866 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.846 5.454 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.023 3.107 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.177 3.292 12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.285 5.832 12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.149 5.061 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.497 5.079 14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.014 3.432 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.107 4.470 15.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.172 3.850 14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.905 5.524 14.919 1.00 0.00 H new ATOM 656 N MET A 43 -0.763 2.957 9.106 1.00 0.00 N ATOM 657 CA MET A 43 -1.321 1.682 8.668 1.00 0.00 C ATOM 658 C MET A 43 -1.545 1.676 7.159 1.00 0.00 C ATOM 659 O MET A 43 -1.473 0.629 6.515 1.00 0.00 O ATOM 660 CB MET A 43 -2.639 1.403 9.393 1.00 0.00 C ATOM 661 CG MET A 43 -2.486 1.253 10.897 1.00 0.00 C ATOM 662 SD MET A 43 -3.999 1.652 11.793 1.00 0.00 S ATOM 663 CE MET A 43 -3.651 3.331 12.313 1.00 0.00 C ATOM 0 H MET A 43 -1.456 3.634 9.424 1.00 0.00 H new ATOM 0 HA MET A 43 -0.606 0.897 8.914 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.337 2.215 9.186 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.081 0.492 8.989 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.191 0.229 11.128 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.682 1.902 11.243 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.580 3.900 12.351 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.193 3.318 13.302 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.969 3.798 11.603 1.00 0.00 H new ATOM 673 N THR A 44 -1.817 2.851 6.601 1.00 0.00 N ATOM 674 CA THR A 44 -2.053 2.981 5.169 1.00 0.00 C ATOM 675 C THR A 44 -0.751 3.231 4.417 1.00 0.00 C ATOM 676 O THR A 44 -0.468 2.580 3.413 1.00 0.00 O ATOM 677 CB THR A 44 -3.038 4.125 4.863 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.195 4.013 5.699 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.458 4.101 3.401 1.00 0.00 C ATOM 0 H THR A 44 -1.879 3.727 7.120 1.00 0.00 H new ATOM 0 HA THR A 44 -2.487 2.039 4.834 1.00 0.00 H new ATOM 0 HB THR A 44 -2.535 5.071 5.065 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.815 4.745 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.154 4.918 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.578 4.217 2.768 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.943 3.151 3.177 1.00 0.00 H new ATOM 687 N ASN A 45 0.039 4.179 4.911 1.00 0.00 N ATOM 688 CA ASN A 45 1.313 4.515 4.286 1.00 0.00 C ATOM 689 C ASN A 45 1.977 3.272 3.702 1.00 0.00 C ATOM 690 O ASN A 45 2.605 3.330 2.645 1.00 0.00 O ATOM 691 CB ASN A 45 2.246 5.176 5.303 1.00 0.00 C ATOM 692 CG ASN A 45 3.108 4.167 6.037 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.896 3.895 7.218 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.088 3.606 5.337 1.00 0.00 N ATOM 0 H ASN A 45 -0.181 4.728 5.742 1.00 0.00 H new ATOM 0 HA ASN A 45 1.117 5.216 3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.887 5.894 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.653 5.737 6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.701 2.920 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.227 3.862 4.359 1.00 0.00 H new ATOM 701 N MET A 46 1.833 2.149 4.397 1.00 0.00 N ATOM 702 CA MET A 46 2.418 0.891 3.947 1.00 0.00 C ATOM 703 C MET A 46 1.597 0.286 2.813 1.00 0.00 C ATOM 704 O MET A 46 2.146 -0.164 1.807 1.00 0.00 O ATOM 705 CB MET A 46 2.510 -0.098 5.110 1.00 0.00 C ATOM 706 CG MET A 46 1.277 -0.974 5.262 1.00 0.00 C ATOM 707 SD MET A 46 1.358 -2.042 6.712 1.00 0.00 S ATOM 708 CE MET A 46 0.817 -0.914 7.994 1.00 0.00 C ATOM 0 H MET A 46 1.316 2.084 5.274 1.00 0.00 H new ATOM 0 HA MET A 46 3.422 1.097 3.576 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.383 -0.735 4.966 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.669 0.456 6.035 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.393 -0.341 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.160 -1.588 4.369 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.391 -1.094 8.903 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.973 0.113 7.664 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.242 -1.074 8.196 1.00 0.00 H new ATOM 718 N LYS A 47 0.279 0.278 2.981 1.00 0.00 N ATOM 719 CA LYS A 47 -0.619 -0.271 1.971 1.00 0.00 C ATOM 720 C LYS A 47 -0.299 0.297 0.593 1.00 0.00 C ATOM 721 O LYS A 47 -0.621 -0.309 -0.430 1.00 0.00 O ATOM 722 CB LYS A 47 -2.074 0.031 2.335 1.00 0.00 C ATOM 723 CG LYS A 47 -2.643 -0.901 3.391 1.00 0.00 C ATOM 724 CD LYS A 47 -4.149 -0.742 3.522 1.00 0.00 C ATOM 725 CE LYS A 47 -4.511 0.502 4.318 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.910 0.449 4.826 1.00 0.00 N ATOM 0 H LYS A 47 -0.192 0.646 3.808 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.476 -1.351 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.144 1.058 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.686 -0.036 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.406 -1.933 3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.170 -0.696 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.597 -0.684 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.568 -1.622 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.824 0.609 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.386 1.384 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.117 1.315 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.568 0.373 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.023 -0.378 5.446 1.00 0.00 H new ATOM 740 N LEU A 48 0.336 1.464 0.571 1.00 0.00 N ATOM 741 CA LEU A 48 0.700 2.114 -0.683 1.00 0.00 C ATOM 742 C LEU A 48 2.110 1.720 -1.110 1.00 0.00 C ATOM 743 O LEU A 48 2.298 1.067 -2.136 1.00 0.00 O ATOM 744 CB LEU A 48 0.604 3.634 -0.539 1.00 0.00 C ATOM 745 CG LEU A 48 -0.755 4.182 -0.103 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.609 5.591 0.452 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.736 4.164 -1.266 1.00 0.00 C ATOM 0 H LEU A 48 0.609 1.979 1.408 1.00 0.00 H new ATOM 0 HA LEU A 48 0.001 1.784 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.353 3.959 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.866 4.087 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.147 3.541 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.586 5.965 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.059 5.575 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.195 6.244 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.698 4.558 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.350 4.781 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.864 3.140 -1.618 1.00 0.00 H new ATOM 759 N GLU A 49 3.098 2.121 -0.316 1.00 0.00 N ATOM 760 CA GLU A 49 4.491 1.809 -0.612 1.00 0.00 C ATOM 761 C GLU A 49 4.639 0.358 -1.063 1.00 0.00 C ATOM 762 O GLU A 49 5.376 0.061 -2.003 1.00 0.00 O ATOM 763 CB GLU A 49 5.367 2.064 0.616 1.00 0.00 C ATOM 764 CG GLU A 49 5.492 0.861 1.536 1.00 0.00 C ATOM 765 CD GLU A 49 6.504 1.076 2.644 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.612 1.569 2.346 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.188 0.752 3.808 1.00 0.00 O ATOM 0 H GLU A 49 2.959 2.663 0.537 1.00 0.00 H new ATOM 0 HA GLU A 49 4.818 2.460 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.362 2.363 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.953 2.900 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.519 0.642 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.781 -0.011 0.950 1.00 0.00 H new ATOM 774 N VAL A 50 3.933 -0.541 -0.385 1.00 0.00 N ATOM 775 CA VAL A 50 3.985 -1.960 -0.715 1.00 0.00 C ATOM 776 C VAL A 50 3.628 -2.198 -2.178 1.00 0.00 C ATOM 777 O VAL A 50 4.232 -3.036 -2.846 1.00 0.00 O ATOM 778 CB VAL A 50 3.029 -2.778 0.174 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.502 -2.765 1.620 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.610 -2.243 0.064 1.00 0.00 C ATOM 0 H VAL A 50 3.318 -0.312 0.396 1.00 0.00 H new ATOM 0 HA VAL A 50 5.009 -2.289 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 50 3.031 -3.811 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.814 -3.348 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.500 -3.200 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.531 -1.738 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.949 -2.833 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.588 -1.202 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.275 -2.310 -0.971 1.00 0.00 H new ATOM 790 N ALA A 51 2.643 -1.453 -2.669 1.00 0.00 N ATOM 791 CA ALA A 51 2.207 -1.581 -4.054 1.00 0.00 C ATOM 792 C ALA A 51 3.208 -0.934 -5.006 1.00 0.00 C ATOM 793 O ALA A 51 3.379 -1.383 -6.140 1.00 0.00 O ATOM 794 CB ALA A 51 0.829 -0.960 -4.233 1.00 0.00 C ATOM 0 H ALA A 51 2.132 -0.755 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 51 2.149 -2.643 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.516 -1.063 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.114 -1.469 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.869 0.097 -3.969 1.00 0.00 H new ATOM 800 N TRP A 52 3.865 0.121 -4.539 1.00 0.00 N ATOM 801 CA TRP A 52 4.849 0.829 -5.350 1.00 0.00 C ATOM 802 C TRP A 52 6.139 0.025 -5.467 1.00 0.00 C ATOM 803 O TRP A 52 6.835 0.094 -6.480 1.00 0.00 O ATOM 804 CB TRP A 52 5.143 2.204 -4.747 1.00 0.00 C ATOM 805 CG TRP A 52 5.977 3.076 -5.635 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.563 4.183 -6.320 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.367 2.913 -5.936 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.612 4.718 -7.028 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.730 3.958 -6.809 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.341 1.988 -5.552 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.024 4.099 -7.303 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.625 2.129 -6.043 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.957 3.179 -6.910 1.00 0.00 C ATOM 0 H TRP A 52 3.734 0.505 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 52 4.433 0.959 -6.349 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.200 2.709 -4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.655 2.073 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.559 4.580 -6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.566 5.547 -7.621 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.095 1.177 -4.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.282 4.906 -7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.385 1.418 -5.754 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.970 3.263 -7.275 1.00 0.00 H new ATOM 824 N LYS A 53 6.452 -0.737 -4.425 1.00 0.00 N ATOM 825 CA LYS A 53 7.658 -1.557 -4.411 1.00 0.00 C ATOM 826 C LYS A 53 7.383 -2.940 -4.992 1.00 0.00 C ATOM 827 O LYS A 53 8.286 -3.597 -5.509 1.00 0.00 O ATOM 828 CB LYS A 53 8.193 -1.689 -2.984 1.00 0.00 C ATOM 829 CG LYS A 53 8.589 -0.363 -2.357 1.00 0.00 C ATOM 830 CD LYS A 53 9.993 0.050 -2.765 1.00 0.00 C ATOM 831 CE LYS A 53 11.040 -0.887 -2.184 1.00 0.00 C ATOM 832 NZ LYS A 53 12.410 -0.308 -2.267 1.00 0.00 N ATOM 0 H LYS A 53 5.887 -0.804 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 53 8.408 -1.065 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.433 -2.162 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.059 -2.352 -2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.880 0.409 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.533 -0.442 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.071 0.055 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.187 1.068 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.798 -1.101 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.014 -1.837 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.908 -0.465 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.935 -0.767 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.345 0.713 -2.452 1.00 0.00 H new ATOM 846 N ALA A 54 6.130 -3.375 -4.905 1.00 0.00 N ATOM 847 CA ALA A 54 5.736 -4.678 -5.425 1.00 0.00 C ATOM 848 C ALA A 54 5.425 -4.603 -6.916 1.00 0.00 C ATOM 849 O ALA A 54 4.835 -5.522 -7.485 1.00 0.00 O ATOM 850 CB ALA A 54 4.534 -5.211 -4.659 1.00 0.00 C ATOM 0 H ALA A 54 5.371 -2.844 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 54 6.572 -5.364 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.251 -6.185 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.790 -5.312 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.699 -4.519 -4.765 1.00 0.00 H new ATOM 856 N LYS A 55 5.824 -3.502 -7.544 1.00 0.00 N ATOM 857 CA LYS A 55 5.589 -3.306 -8.970 1.00 0.00 C ATOM 858 C LYS A 55 4.112 -3.484 -9.307 1.00 0.00 C ATOM 859 O LYS A 55 3.764 -4.050 -10.343 1.00 0.00 O ATOM 860 CB LYS A 55 6.431 -4.289 -9.786 1.00 0.00 C ATOM 861 CG LYS A 55 7.928 -4.080 -9.634 1.00 0.00 C ATOM 862 CD LYS A 55 8.692 -4.629 -10.827 1.00 0.00 C ATOM 863 CE LYS A 55 8.751 -6.148 -10.800 1.00 0.00 C ATOM 864 NZ LYS A 55 9.732 -6.647 -9.798 1.00 0.00 N ATOM 0 H LYS A 55 6.312 -2.731 -7.088 1.00 0.00 H new ATOM 0 HA LYS A 55 5.882 -2.287 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.182 -5.306 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.165 -4.196 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.138 -3.016 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.274 -4.569 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.214 -4.299 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.704 -4.225 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.763 -6.546 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.021 -6.519 -11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.830 -7.678 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.655 -6.195 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.398 -6.417 -8.840 1.00 0.00 H new ATOM 878 N LYS A 56 3.246 -2.995 -8.426 1.00 0.00 N ATOM 879 CA LYS A 56 1.805 -3.097 -8.630 1.00 0.00 C ATOM 880 C LYS A 56 1.297 -1.949 -9.496 1.00 0.00 C ATOM 881 O LYS A 56 1.986 -0.946 -9.683 1.00 0.00 O ATOM 882 CB LYS A 56 1.077 -3.097 -7.285 1.00 0.00 C ATOM 883 CG LYS A 56 1.359 -4.327 -6.440 1.00 0.00 C ATOM 884 CD LYS A 56 0.385 -5.452 -6.751 1.00 0.00 C ATOM 885 CE LYS A 56 0.522 -6.598 -5.760 1.00 0.00 C ATOM 886 NZ LYS A 56 1.798 -7.342 -5.946 1.00 0.00 N ATOM 0 H LYS A 56 3.517 -2.524 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 56 1.601 -4.036 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.366 -2.208 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.004 -3.027 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.379 -4.667 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.291 -4.067 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.635 -5.069 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.563 -5.820 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.474 -6.207 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.318 -7.282 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.591 -8.340 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.330 -6.927 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.366 -7.280 -5.077 1.00 0.00 H new ATOM 900 N LYS A 57 0.086 -2.101 -10.021 1.00 0.00 N ATOM 901 CA LYS A 57 -0.518 -1.077 -10.865 1.00 0.00 C ATOM 902 C LYS A 57 -1.288 -0.064 -10.024 1.00 0.00 C ATOM 903 O LYS A 57 -1.317 1.126 -10.340 1.00 0.00 O ATOM 904 CB LYS A 57 -1.452 -1.719 -11.893 1.00 0.00 C ATOM 905 CG LYS A 57 -1.766 -0.818 -13.075 1.00 0.00 C ATOM 906 CD LYS A 57 -2.967 0.070 -12.797 1.00 0.00 C ATOM 907 CE LYS A 57 -3.590 0.585 -14.085 1.00 0.00 C ATOM 908 NZ LYS A 57 -5.039 0.887 -13.918 1.00 0.00 N ATOM 0 H LYS A 57 -0.497 -2.925 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 57 0.282 -0.554 -11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.998 -2.640 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.384 -1.997 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.899 -0.198 -13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.960 -1.428 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.711 -0.490 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.662 0.913 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.066 1.485 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.462 -0.158 -14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.427 1.235 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.543 0.023 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.160 1.614 -13.184 1.00 0.00 H new ATOM 922 N ASP A 58 -1.910 -0.543 -8.952 1.00 0.00 N ATOM 923 CA ASP A 58 -2.679 0.321 -8.064 1.00 0.00 C ATOM 924 C ASP A 58 -3.089 -0.426 -6.799 1.00 0.00 C ATOM 925 O ASP A 58 -3.209 -1.652 -6.800 1.00 0.00 O ATOM 926 CB ASP A 58 -3.921 0.852 -8.783 1.00 0.00 C ATOM 927 CG ASP A 58 -4.813 -0.262 -9.295 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.829 -1.343 -8.671 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.496 -0.052 -10.319 1.00 0.00 O ATOM 0 H ASP A 58 -1.897 -1.525 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.047 1.162 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.489 1.485 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.613 1.480 -9.619 1.00 0.00 H new ATOM 934 N THR A 59 -3.302 0.320 -5.720 1.00 0.00 N ATOM 935 CA THR A 59 -3.695 -0.271 -4.447 1.00 0.00 C ATOM 936 C THR A 59 -4.935 0.413 -3.883 1.00 0.00 C ATOM 937 O THR A 59 -5.025 1.641 -3.864 1.00 0.00 O ATOM 938 CB THR A 59 -2.559 -0.184 -3.411 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.022 -0.642 -2.136 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.047 1.244 -3.288 1.00 0.00 C ATOM 0 H THR A 59 -3.209 1.336 -5.702 1.00 0.00 H new ATOM 0 HA THR A 59 -3.918 -1.320 -4.642 1.00 0.00 H new ATOM 0 HB THR A 59 -1.740 -0.819 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.668 -0.060 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.245 1.281 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.668 1.579 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.861 1.896 -2.972 1.00 0.00 H new ATOM 948 N VAL A 60 -5.891 -0.388 -3.423 1.00 0.00 N ATOM 949 CA VAL A 60 -7.125 0.141 -2.856 1.00 0.00 C ATOM 950 C VAL A 60 -6.958 0.460 -1.375 1.00 0.00 C ATOM 951 O VAL A 60 -6.390 -0.329 -0.619 1.00 0.00 O ATOM 952 CB VAL A 60 -8.292 -0.851 -3.027 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.420 -0.520 -2.063 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.788 -0.846 -4.465 1.00 0.00 C ATOM 0 H VAL A 60 -5.834 -1.406 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.354 1.058 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.932 -1.853 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.235 -1.231 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.053 -0.580 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.782 0.489 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.612 -1.552 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.132 0.154 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.976 -1.137 -5.131 1.00 0.00 H new ATOM 964 N VAL A 61 -7.455 1.623 -0.966 1.00 0.00 N ATOM 965 CA VAL A 61 -7.362 2.047 0.426 1.00 0.00 C ATOM 966 C VAL A 61 -8.634 2.762 0.868 1.00 0.00 C ATOM 967 O VAL A 61 -9.289 3.433 0.072 1.00 0.00 O ATOM 968 CB VAL A 61 -6.157 2.980 0.648 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.852 2.218 0.479 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.219 4.166 -0.303 1.00 0.00 C ATOM 0 H VAL A 61 -7.926 2.288 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.229 1.146 1.024 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.198 3.360 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.012 2.894 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.808 1.406 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.799 1.807 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.360 4.815 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.204 3.808 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.137 4.726 -0.127 1.00 0.00 H new ATOM 980 N GLN A 62 -8.976 2.614 2.144 1.00 0.00 N ATOM 981 CA GLN A 62 -10.170 3.246 2.693 1.00 0.00 C ATOM 982 C GLN A 62 -9.923 4.724 2.974 1.00 0.00 C ATOM 983 O GLN A 62 -9.201 5.075 3.908 1.00 0.00 O ATOM 984 CB GLN A 62 -10.605 2.535 3.976 1.00 0.00 C ATOM 985 CG GLN A 62 -11.164 1.142 3.740 1.00 0.00 C ATOM 986 CD GLN A 62 -10.079 0.101 3.550 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.264 -0.134 4.443 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.061 -0.530 2.382 1.00 0.00 N ATOM 0 H GLN A 62 -8.443 2.062 2.817 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.967 3.164 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.751 2.465 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.360 3.140 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.790 0.858 4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.806 1.157 2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.755 -0.304 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.353 -1.240 2.197 1.00 0.00 H new ATOM 997 N ILE A 63 -10.526 5.585 2.161 1.00 0.00 N ATOM 998 CA ILE A 63 -10.371 7.025 2.324 1.00 0.00 C ATOM 999 C ILE A 63 -11.720 7.702 2.540 1.00 0.00 C ATOM 1000 O ILE A 63 -12.637 7.556 1.731 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.682 7.659 1.102 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.220 7.214 1.026 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.776 9.176 1.168 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.494 7.730 -0.197 1.00 0.00 C ATOM 0 H ILE A 63 -11.126 5.310 1.383 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.745 7.177 3.203 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.193 7.322 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.698 7.556 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.180 6.125 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.284 9.609 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.824 9.475 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.287 9.532 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.463 7.375 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.992 7.367 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.503 8.820 -0.192 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.835 8.445 3.637 1.00 0.00 N ATOM 1017 CA HIS A 64 -13.072 9.147 3.959 1.00 0.00 C ATOM 1018 C HIS A 64 -14.216 8.161 4.174 1.00 0.00 C ATOM 1019 O HIS A 64 -15.365 8.446 3.840 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.432 10.128 2.842 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.540 11.330 2.791 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.927 12.531 2.235 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.273 11.512 3.231 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.936 13.399 2.334 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.921 12.806 2.935 1.00 0.00 N ATOM 0 H HIS A 64 -11.086 8.576 4.317 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.916 9.702 4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.384 9.609 1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.463 10.456 2.976 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.654 10.776 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.953 14.420 1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.022 13.239 3.145 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.893 7.000 4.734 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.894 5.971 4.992 1.00 0.00 C ATOM 1036 C ASN A 65 -15.439 5.402 3.686 1.00 0.00 C ATOM 1037 O ASN A 65 -16.578 4.940 3.626 1.00 0.00 O ATOM 1038 CB ASN A 65 -16.039 6.543 5.829 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.550 7.209 7.101 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.614 8.430 7.240 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -15.057 6.405 8.037 1.00 0.00 N ATOM 0 H ASN A 65 -12.946 6.748 5.018 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.415 5.164 5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.594 7.268 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.733 5.743 6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.712 6.795 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.024 5.398 7.878 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.616 5.438 2.642 1.00 0.00 N ATOM 1049 CA GLN A 66 -15.016 4.926 1.337 1.00 0.00 C ATOM 1050 C GLN A 66 -13.823 4.332 0.596 1.00 0.00 C ATOM 1051 O GLN A 66 -12.752 4.937 0.537 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.648 6.040 0.500 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.072 7.417 0.787 1.00 0.00 C ATOM 1054 CD GLN A 66 -16.036 8.536 0.443 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.253 8.349 0.460 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.496 9.708 0.130 1.00 0.00 N ATOM 0 H GLN A 66 -13.669 5.816 2.675 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.752 4.137 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.511 5.811 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.722 6.058 0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.806 7.483 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.152 7.548 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.482 9.818 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.095 10.498 -0.109 1.00 0.00 H new ATOM 1065 N ASP A 67 -14.014 3.144 0.033 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.953 2.468 -0.704 1.00 0.00 C ATOM 1067 C ASP A 67 -12.523 3.291 -1.915 1.00 0.00 C ATOM 1068 O ASP A 67 -13.357 3.754 -2.692 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.419 1.082 -1.154 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.576 0.119 0.006 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.562 -0.484 0.417 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -14.712 -0.033 0.502 1.00 0.00 O ATOM 0 H ASP A 67 -14.894 2.629 0.073 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.096 2.357 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.371 1.174 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.702 0.674 -1.866 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.215 3.470 -2.067 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.673 4.240 -3.181 1.00 0.00 C ATOM 1079 C PHE A 68 -9.576 3.459 -3.898 1.00 0.00 C ATOM 1080 O PHE A 68 -8.958 2.562 -3.324 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.122 5.578 -2.684 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.121 6.698 -2.746 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.373 6.560 -2.169 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.807 7.889 -3.380 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.294 7.588 -2.225 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.724 8.922 -3.439 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.969 8.771 -2.860 1.00 0.00 C ATOM 0 H PHE A 68 -10.511 3.092 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.481 4.429 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.782 5.462 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.250 5.846 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.632 5.638 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.835 8.012 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.267 7.467 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.467 9.845 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.687 9.576 -2.904 1.00 0.00 H new ATOM 1097 N THR A 69 -9.338 3.807 -5.160 1.00 0.00 N ATOM 1098 CA THR A 69 -8.317 3.139 -5.957 1.00 0.00 C ATOM 1099 C THR A 69 -7.125 4.056 -6.203 1.00 0.00 C ATOM 1100 O THR A 69 -7.215 5.017 -6.968 1.00 0.00 O ATOM 1101 CB THR A 69 -8.880 2.673 -7.313 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.052 1.876 -7.109 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.842 1.869 -8.082 1.00 0.00 C ATOM 0 H THR A 69 -9.839 4.548 -5.651 1.00 0.00 H new ATOM 0 HA THR A 69 -7.991 2.268 -5.388 1.00 0.00 H new ATOM 0 HB THR A 69 -9.139 3.556 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.405 1.585 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.262 1.551 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.962 2.487 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.557 0.992 -7.500 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.007 3.754 -5.550 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.795 4.551 -5.700 1.00 0.00 C ATOM 1113 C VAL A 70 -3.902 3.991 -6.802 1.00 0.00 C ATOM 1114 O VAL A 70 -3.344 2.902 -6.670 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.995 4.607 -4.385 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.724 5.424 -4.568 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.850 5.180 -3.265 1.00 0.00 C ATOM 0 H VAL A 70 -5.916 2.963 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.110 5.559 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.710 3.592 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.172 5.453 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.105 4.966 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.984 6.439 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.269 5.212 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.167 6.189 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.728 4.550 -3.119 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.772 4.744 -7.889 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.945 4.325 -9.015 1.00 0.00 C ATOM 1129 C ASP A 71 -1.512 4.823 -8.852 1.00 0.00 C ATOM 1130 O ASP A 71 -1.274 6.022 -8.698 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.533 4.844 -10.328 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.127 3.997 -11.518 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -1.942 3.609 -11.593 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -3.993 3.724 -12.375 1.00 0.00 O ATOM 0 H ASP A 71 -4.229 5.647 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.931 3.235 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.620 4.863 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.206 5.871 -10.488 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.562 3.896 -8.886 1.00 0.00 N ATOM 1140 CA LEU A 72 0.849 4.240 -8.742 1.00 0.00 C ATOM 1141 C LEU A 72 1.422 4.751 -10.059 1.00 0.00 C ATOM 1142 O LEU A 72 2.326 5.586 -10.072 1.00 0.00 O ATOM 1143 CB LEU A 72 1.644 3.024 -8.263 1.00 0.00 C ATOM 1144 CG LEU A 72 1.146 2.359 -6.979 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.502 0.881 -6.971 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.726 3.057 -5.757 1.00 0.00 C ATOM 0 H LEU A 72 -0.742 2.900 -9.012 1.00 0.00 H new ATOM 0 HA LEU A 72 0.930 5.034 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.643 2.279 -9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.680 3.329 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 72 0.060 2.450 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.140 0.424 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.038 0.390 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.584 0.767 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.361 2.570 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.814 2.998 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.419 4.103 -5.756 1.00 0.00 H new ATOM 1158 N SER A 73 0.889 4.244 -11.167 1.00 0.00 N ATOM 1159 CA SER A 73 1.349 4.648 -12.490 1.00 0.00 C ATOM 1160 C SER A 73 1.482 6.165 -12.580 1.00 0.00 C ATOM 1161 O SER A 73 2.448 6.684 -13.140 1.00 0.00 O ATOM 1162 CB SER A 73 0.383 4.144 -13.565 1.00 0.00 C ATOM 1163 OG SER A 73 1.042 3.986 -14.809 1.00 0.00 O ATOM 0 H SER A 73 0.139 3.553 -11.174 1.00 0.00 H new ATOM 0 HA SER A 73 2.331 4.205 -12.657 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.047 3.192 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.443 4.847 -13.674 1.00 0.00 H new ATOM 0 HG SER A 73 0.404 3.662 -15.478 1.00 0.00 H new ATOM 1169 N THR A 74 0.503 6.872 -12.024 1.00 0.00 N ATOM 1170 CA THR A 74 0.508 8.330 -12.041 1.00 0.00 C ATOM 1171 C THR A 74 0.480 8.897 -10.627 1.00 0.00 C ATOM 1172 O THR A 74 0.697 10.090 -10.422 1.00 0.00 O ATOM 1173 CB THR A 74 -0.693 8.886 -12.829 1.00 0.00 C ATOM 1174 OG1 THR A 74 -0.623 10.315 -12.885 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.005 8.463 -12.186 1.00 0.00 C ATOM 0 H THR A 74 -0.304 6.459 -11.556 1.00 0.00 H new ATOM 0 HA THR A 74 1.431 8.637 -12.534 1.00 0.00 H new ATOM 0 HB THR A 74 -0.655 8.481 -13.840 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.196 10.654 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.839 8.868 -12.760 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.069 7.375 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.049 8.843 -11.165 1.00 0.00 H new ATOM 1183 N ASN A 75 0.211 8.032 -9.653 1.00 0.00 N ATOM 1184 CA ASN A 75 0.155 8.448 -8.256 1.00 0.00 C ATOM 1185 C ASN A 75 -1.079 9.305 -7.993 1.00 0.00 C ATOM 1186 O ASN A 75 -0.976 10.427 -7.496 1.00 0.00 O ATOM 1187 CB ASN A 75 1.419 9.225 -7.882 1.00 0.00 C ATOM 1188 CG ASN A 75 2.659 8.670 -8.555 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.829 7.456 -8.665 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.534 9.560 -9.010 1.00 0.00 N ATOM 0 H ASN A 75 0.029 7.040 -9.806 1.00 0.00 H new ATOM 0 HA ASN A 75 0.092 7.552 -7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.295 10.271 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.553 9.197 -6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.387 9.246 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.352 10.557 -8.897 1.00 0.00 H new ATOM 1197 N THR A 76 -2.248 8.769 -8.330 1.00 0.00 N ATOM 1198 CA THR A 76 -3.503 9.484 -8.131 1.00 0.00 C ATOM 1199 C THR A 76 -4.609 8.538 -7.681 1.00 0.00 C ATOM 1200 O THR A 76 -4.755 7.439 -8.215 1.00 0.00 O ATOM 1201 CB THR A 76 -3.949 10.203 -9.418 1.00 0.00 C ATOM 1202 OG1 THR A 76 -2.952 11.147 -9.824 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.275 10.919 -9.205 1.00 0.00 C ATOM 0 H THR A 76 -2.352 7.842 -8.742 1.00 0.00 H new ATOM 0 HA THR A 76 -3.325 10.226 -7.352 1.00 0.00 H new ATOM 0 HB THR A 76 -4.078 9.454 -10.200 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.243 11.598 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.570 11.420 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.039 10.194 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.166 11.657 -8.410 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.388 8.972 -6.695 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.484 8.164 -6.175 1.00 0.00 C ATOM 1213 C ALA A 77 -7.804 8.533 -6.845 1.00 0.00 C ATOM 1214 O ALA A 77 -8.017 9.683 -7.229 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.591 8.328 -4.666 1.00 0.00 C ATOM 0 H ALA A 77 -5.280 9.879 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.272 7.119 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.414 7.719 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.660 8.008 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.776 9.375 -4.426 1.00 0.00 H new ATOM 1221 N THR A 78 -8.688 7.549 -6.982 1.00 0.00 N ATOM 1222 CA THR A 78 -9.986 7.770 -7.606 1.00 0.00 C ATOM 1223 C THR A 78 -11.048 6.857 -7.005 1.00 0.00 C ATOM 1224 O THR A 78 -10.752 5.741 -6.578 1.00 0.00 O ATOM 1225 CB THR A 78 -9.925 7.534 -9.127 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.788 8.206 -9.682 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.194 8.032 -9.803 1.00 0.00 C ATOM 0 H THR A 78 -8.528 6.591 -6.669 1.00 0.00 H new ATOM 0 HA THR A 78 -10.255 8.809 -7.417 1.00 0.00 H new ATOM 0 HB THR A 78 -9.835 6.462 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.755 8.050 -10.649 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.128 7.855 -10.876 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.055 7.499 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.310 9.100 -9.618 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.287 7.338 -6.974 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.393 6.563 -6.427 1.00 0.00 C ATOM 1237 C ALA A 79 -14.648 6.720 -7.279 1.00 0.00 C ATOM 1238 O ALA A 79 -14.847 7.732 -7.953 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.672 6.982 -4.991 1.00 0.00 C ATOM 0 H ALA A 79 -12.549 8.260 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.107 5.511 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.501 6.395 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.783 6.812 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.932 8.040 -4.965 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.515 5.697 -7.252 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.766 5.699 -8.017 1.00 0.00 C ATOM 1247 C PRO A 80 -17.778 6.700 -7.471 1.00 0.00 C ATOM 1248 O PRO A 80 -18.898 6.798 -7.971 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.285 4.268 -7.851 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.686 3.794 -6.572 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.342 4.461 -6.472 1.00 0.00 C ATOM 0 HA PRO A 80 -16.609 5.992 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.374 4.244 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.983 3.638 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.317 4.059 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.584 2.709 -6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.075 4.673 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.551 3.834 -6.883 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.376 7.440 -6.443 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.250 8.433 -5.830 1.00 0.00 C ATOM 1261 C GLN A 81 -18.142 9.773 -6.551 1.00 0.00 C ATOM 1262 O GLN A 81 -19.128 10.494 -6.694 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.900 8.607 -4.351 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.907 7.305 -3.567 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.289 6.688 -3.473 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.293 7.340 -3.758 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.347 5.424 -3.070 1.00 0.00 N ATOM 0 H GLN A 81 -16.452 7.371 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.277 8.078 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.914 9.064 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.610 9.299 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.228 6.596 -4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.526 7.488 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.489 4.921 -2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.250 4.956 -2.987 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.935 10.100 -7.004 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.720 11.353 -7.704 1.00 0.00 C ATOM 1278 C GLY A 82 -15.644 12.202 -7.057 1.00 0.00 C ATOM 1279 O GLY A 82 -15.730 13.430 -7.058 1.00 0.00 O ATOM 0 H GLY A 82 -16.103 9.520 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.442 11.145 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.654 11.915 -7.732 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.630 11.547 -6.501 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.534 12.251 -5.845 1.00 0.00 C ATOM 1285 C GLN A 83 -12.190 11.641 -6.228 1.00 0.00 C ATOM 1286 O GLN A 83 -12.030 10.420 -6.241 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.712 12.212 -4.327 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.784 13.161 -3.815 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.155 12.517 -3.757 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.558 11.805 -4.677 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.880 12.765 -2.673 1.00 0.00 N ATOM 0 H GLN A 83 -14.544 10.531 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.549 13.289 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.964 11.195 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.763 12.459 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.509 13.511 -2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.826 14.038 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.506 13.361 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.811 12.359 -2.578 1.00 0.00 H new ATOM 1300 N THR A 84 -11.223 12.499 -6.539 1.00 0.00 N ATOM 1301 CA THR A 84 -9.893 12.045 -6.923 1.00 0.00 C ATOM 1302 C THR A 84 -8.811 12.877 -6.243 1.00 0.00 C ATOM 1303 O THR A 84 -8.958 14.087 -6.075 1.00 0.00 O ATOM 1304 CB THR A 84 -9.694 12.115 -8.449 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.636 13.481 -8.874 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.824 11.400 -9.174 1.00 0.00 C ATOM 0 H THR A 84 -11.337 13.513 -6.532 1.00 0.00 H new ATOM 0 HA THR A 84 -9.808 11.007 -6.600 1.00 0.00 H new ATOM 0 HB THR A 84 -8.755 11.620 -8.694 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.508 13.516 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.663 11.462 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.846 10.353 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.774 11.871 -8.922 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.724 12.219 -5.853 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.616 12.898 -5.191 1.00 0.00 C ATOM 1316 C PHE A 85 -5.280 12.483 -5.800 1.00 0.00 C ATOM 1317 O PHE A 85 -5.225 11.613 -6.671 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.624 12.589 -3.692 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.991 12.284 -3.150 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.900 13.302 -2.914 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.366 10.978 -2.876 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.159 13.024 -2.416 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.623 10.695 -2.377 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.521 11.719 -2.146 1.00 0.00 C ATOM 0 H PHE A 85 -7.587 11.217 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.742 13.971 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.968 11.740 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.209 13.440 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.622 14.325 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.668 10.173 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.859 13.827 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.903 9.673 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.504 11.500 -1.755 1.00 0.00 H new ATOM 1334 N THR A 86 -4.204 13.111 -5.337 1.00 0.00 N ATOM 1335 CA THR A 86 -2.869 12.809 -5.837 1.00 0.00 C ATOM 1336 C THR A 86 -1.954 12.338 -4.712 1.00 0.00 C ATOM 1337 O THR A 86 -1.795 13.021 -3.700 1.00 0.00 O ATOM 1338 CB THR A 86 -2.234 14.035 -6.520 1.00 0.00 C ATOM 1339 OG1 THR A 86 -2.797 14.216 -7.824 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.726 13.872 -6.632 1.00 0.00 C ATOM 0 H THR A 86 -4.231 13.832 -4.616 1.00 0.00 H new ATOM 0 HA THR A 86 -2.980 12.010 -6.570 1.00 0.00 H new ATOM 0 HB THR A 86 -2.444 14.913 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.389 14.998 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.300 14.750 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.297 13.764 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.499 12.985 -7.223 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.354 11.166 -4.895 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.453 10.604 -3.896 1.00 0.00 C ATOM 1350 C VAL A 87 1.002 10.910 -4.233 1.00 0.00 C ATOM 1351 O VAL A 87 1.406 10.843 -5.393 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.631 9.079 -3.774 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.821 8.749 -2.887 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.791 8.451 -5.150 1.00 0.00 C ATOM 0 H VAL A 87 -1.476 10.587 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.707 11.069 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 87 0.263 8.662 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.931 7.667 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.661 9.166 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.726 9.177 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.916 7.373 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.668 8.872 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.096 8.657 -5.749 1.00 0.00 H new ATOM 1364 N GLN A 88 1.783 11.246 -3.212 1.00 0.00 N ATOM 1365 CA GLN A 88 3.193 11.562 -3.401 1.00 0.00 C ATOM 1366 C GLN A 88 4.070 10.699 -2.500 1.00 0.00 C ATOM 1367 O GLN A 88 3.745 10.470 -1.335 1.00 0.00 O ATOM 1368 CB GLN A 88 3.448 13.043 -3.113 1.00 0.00 C ATOM 1369 CG GLN A 88 3.051 13.468 -1.709 1.00 0.00 C ATOM 1370 CD GLN A 88 1.630 13.993 -1.639 1.00 0.00 C ATOM 1371 OE1 GLN A 88 0.730 13.470 -2.295 1.00 0.00 O ATOM 1372 NE2 GLN A 88 1.422 15.032 -0.839 1.00 0.00 N ATOM 0 H GLN A 88 1.463 11.306 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 88 3.451 11.351 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.506 13.256 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.897 13.645 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.154 12.619 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.737 14.239 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.198 15.434 -0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.486 15.428 -0.750 1.00 0.00 H new ATOM 1381 N ARG A 89 5.183 10.222 -3.048 1.00 0.00 N ATOM 1382 CA ARG A 89 6.107 9.382 -2.294 1.00 0.00 C ATOM 1383 C ARG A 89 7.275 10.204 -1.757 1.00 0.00 C ATOM 1384 O ARG A 89 7.954 10.903 -2.511 1.00 0.00 O ATOM 1385 CB ARG A 89 6.630 8.246 -3.174 1.00 0.00 C ATOM 1386 CG ARG A 89 7.224 7.089 -2.386 1.00 0.00 C ATOM 1387 CD ARG A 89 7.379 5.848 -3.251 1.00 0.00 C ATOM 1388 NE ARG A 89 7.924 4.721 -2.498 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.220 4.559 -2.254 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.098 5.446 -2.700 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.639 3.508 -1.561 1.00 0.00 N ATOM 0 H ARG A 89 5.467 10.403 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 89 5.566 8.958 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.814 7.872 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.388 8.641 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.196 7.380 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.585 6.862 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.410 5.572 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.034 6.072 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 89 7.274 4.021 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.779 6.256 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.092 5.319 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.966 2.824 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.634 3.384 -1.374 1.00 0.00 H new ATOM 1405 N LEU A 90 7.503 10.116 -0.452 1.00 0.00 N ATOM 1406 CA LEU A 90 8.589 10.852 0.187 1.00 0.00 C ATOM 1407 C LEU A 90 9.353 9.959 1.160 1.00 0.00 C ATOM 1408 O LEU A 90 8.756 9.282 1.996 1.00 0.00 O ATOM 1409 CB LEU A 90 8.039 12.075 0.923 1.00 0.00 C ATOM 1410 CG LEU A 90 7.056 12.944 0.138 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.654 12.358 0.204 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.064 14.371 0.668 1.00 0.00 C ATOM 0 H LEU A 90 6.951 9.542 0.185 1.00 0.00 H new ATOM 0 HA LEU A 90 9.277 11.183 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.546 11.735 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.879 12.698 1.230 1.00 0.00 H new ATOM 0 HG LEU A 90 7.371 12.963 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.968 12.990 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.658 11.355 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.329 12.308 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.359 14.975 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.774 14.370 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.065 14.791 0.568 1.00 0.00 H new ATOM 1424 N VAL A 91 10.677 9.966 1.046 1.00 0.00 N ATOM 1425 CA VAL A 91 11.524 9.160 1.918 1.00 0.00 C ATOM 1426 C VAL A 91 11.873 9.915 3.195 1.00 0.00 C ATOM 1427 O VAL A 91 12.100 11.125 3.173 1.00 0.00 O ATOM 1428 CB VAL A 91 12.826 8.745 1.208 1.00 0.00 C ATOM 1429 CG1 VAL A 91 13.643 9.970 0.830 1.00 0.00 C ATOM 1430 CG2 VAL A 91 13.635 7.804 2.088 1.00 0.00 C ATOM 0 H VAL A 91 11.187 10.521 0.358 1.00 0.00 H new ATOM 0 HA VAL A 91 10.956 8.265 2.172 1.00 0.00 H new ATOM 0 HB VAL A 91 12.567 8.216 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.559 9.656 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.061 10.602 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.895 10.531 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.552 7.521 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.886 8.305 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.048 6.911 2.302 1.00 0.00 H new ATOM 1440 N LYS A 92 11.915 9.193 4.310 1.00 0.00 N ATOM 1441 CA LYS A 92 12.239 9.793 5.599 1.00 0.00 C ATOM 1442 C LYS A 92 13.314 8.986 6.320 1.00 0.00 C ATOM 1443 O LYS A 92 13.144 7.793 6.571 1.00 0.00 O ATOM 1444 CB LYS A 92 10.985 9.885 6.471 1.00 0.00 C ATOM 1445 CG LYS A 92 9.863 10.690 5.839 1.00 0.00 C ATOM 1446 CD LYS A 92 9.983 12.168 6.168 1.00 0.00 C ATOM 1447 CE LYS A 92 9.334 13.032 5.098 1.00 0.00 C ATOM 1448 NZ LYS A 92 10.147 13.075 3.851 1.00 0.00 N ATOM 0 H LYS A 92 11.729 8.191 4.347 1.00 0.00 H new ATOM 0 HA LYS A 92 12.623 10.797 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.624 8.878 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.250 10.335 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.881 10.554 4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.902 10.315 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.514 12.367 7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.035 12.436 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.341 12.644 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.201 14.044 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.516 13.152 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.782 13.898 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.711 12.205 3.774 1.00 0.00 H new ATOM 1462 N ALA A 93 14.420 9.644 6.651 1.00 0.00 N ATOM 1463 CA ALA A 93 15.521 8.989 7.346 1.00 0.00 C ATOM 1464 C ALA A 93 16.471 10.012 7.958 1.00 0.00 C ATOM 1465 O ALA A 93 16.819 11.008 7.323 1.00 0.00 O ATOM 1466 CB ALA A 93 16.273 8.070 6.395 1.00 0.00 C ATOM 0 H ALA A 93 14.577 10.631 6.449 1.00 0.00 H new ATOM 0 HA ALA A 93 15.102 8.392 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.093 7.587 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.593 7.310 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.673 8.653 5.565 1.00 0.00 H new ATOM 1472 N SER A 94 16.887 9.762 9.195 1.00 0.00 N ATOM 1473 CA SER A 94 17.794 10.664 9.895 1.00 0.00 C ATOM 1474 C SER A 94 18.965 11.058 9.000 1.00 0.00 C ATOM 1475 O SER A 94 19.864 10.257 8.747 1.00 0.00 O ATOM 1476 CB SER A 94 18.313 10.008 11.175 1.00 0.00 C ATOM 1477 OG SER A 94 18.885 8.740 10.903 1.00 0.00 O ATOM 0 H SER A 94 16.610 8.941 9.734 1.00 0.00 H new ATOM 0 HA SER A 94 17.240 11.565 10.157 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.057 10.653 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.496 9.896 11.887 1.00 0.00 H new ATOM 0 HG SER A 94 19.418 8.791 10.082 1.00 0.00 H new ATOM 1483 N GLY A 95 18.947 12.299 8.523 1.00 0.00 N ATOM 1484 CA GLY A 95 20.012 12.779 7.662 1.00 0.00 C ATOM 1485 C GLY A 95 20.547 14.128 8.099 1.00 0.00 C ATOM 1486 O GLY A 95 20.273 14.601 9.202 1.00 0.00 O ATOM 0 H GLY A 95 18.214 12.981 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.825 12.053 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.643 12.852 6.639 1.00 0.00 H new ATOM 1490 N PRO A 96 21.331 14.770 7.220 1.00 0.00 N ATOM 1491 CA PRO A 96 21.924 16.082 7.499 1.00 0.00 C ATOM 1492 C PRO A 96 20.882 17.194 7.531 1.00 0.00 C ATOM 1493 O PRO A 96 20.840 17.993 8.467 1.00 0.00 O ATOM 1494 CB PRO A 96 22.892 16.289 6.332 1.00 0.00 C ATOM 1495 CG PRO A 96 22.338 15.457 5.228 1.00 0.00 C ATOM 1496 CD PRO A 96 21.699 14.266 5.887 1.00 0.00 C ATOM 0 HA PRO A 96 22.402 16.113 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 96 22.948 17.339 6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 96 23.902 15.976 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 96 21.608 16.018 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 96 23.125 15.147 4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.826 13.921 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 96 22.389 13.425 5.952 1.00 0.00 H new ATOM 1504 N SER A 97 20.041 17.240 6.502 1.00 0.00 N ATOM 1505 CA SER A 97 19.000 18.257 6.411 1.00 0.00 C ATOM 1506 C SER A 97 17.899 18.002 7.436 1.00 0.00 C ATOM 1507 O SER A 97 17.425 16.876 7.585 1.00 0.00 O ATOM 1508 CB SER A 97 18.405 18.283 5.002 1.00 0.00 C ATOM 1509 OG SER A 97 17.421 19.296 4.882 1.00 0.00 O ATOM 0 H SER A 97 20.060 16.585 5.720 1.00 0.00 H new ATOM 0 HA SER A 97 19.453 19.225 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.197 18.453 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 97 17.963 17.313 4.773 1.00 0.00 H new ATOM 0 HG SER A 97 17.058 19.293 3.972 1.00 0.00 H new ATOM 1515 N SER A 98 17.497 19.055 8.139 1.00 0.00 N ATOM 1516 CA SER A 98 16.455 18.946 9.153 1.00 0.00 C ATOM 1517 C SER A 98 15.110 18.612 8.515 1.00 0.00 C ATOM 1518 O SER A 98 14.502 19.449 7.848 1.00 0.00 O ATOM 1519 CB SER A 98 16.347 20.249 9.947 1.00 0.00 C ATOM 1520 OG SER A 98 15.955 21.324 9.111 1.00 0.00 O ATOM 0 H SER A 98 17.877 19.995 8.025 1.00 0.00 H new ATOM 0 HA SER A 98 16.726 18.138 9.832 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.623 20.128 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 98 17.307 20.476 10.411 1.00 0.00 H new ATOM 0 HG SER A 98 15.325 20.999 8.434 1.00 0.00 H new ATOM 1526 N GLY A 99 14.651 17.382 8.725 1.00 0.00 N ATOM 1527 CA GLY A 99 13.381 16.959 8.165 1.00 0.00 C ATOM 1528 C GLY A 99 13.543 15.882 7.110 1.00 0.00 C ATOM 1529 O GLY A 99 13.933 16.167 5.977 1.00 0.00 O ATOM 0 H GLY A 99 15.136 16.671 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.741 16.587 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.876 17.820 7.727 1.00 0.00 H new TER 1533 GLY A 99