USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 711 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 SER OG : rot -130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0391 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.552 USER MOD Single : A 3 SER OG : rot 180:sc= -0.235 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 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= -0.0121 (180deg=-0.217) USER MOD Single : A 12 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.8!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 23 GLN : amide:sc= -3.59 K(o=-3.6,f=-7.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= -3.48! (180deg=-5.87!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 40:sc= 0.265 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= -1.63 USER MOD Single : A 38 MET CE :methyl -170:sc= -3.75! (180deg=-3.87!) USER MOD Single : A 39 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.22) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 47 MET CE :methyl 170:sc= 0 (180deg=-0.133) USER MOD Single : A 55 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.4) USER MOD Single : A 56 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.8!) USER MOD Single : A 57 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 58 HIS : no HD1:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -77:sc= 0.464 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.415) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.7!) USER MOD Single : A 86 THR OG1 : rot -2:sc= 0.127 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -58:sc= 0.656 USER MOD Single : A 94 SER OG : rot 180:sc= -0.262! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.414 18.814 31.342 1.00 0.00 N ATOM 2 CA GLY A 1 -24.656 18.770 30.105 1.00 0.00 C ATOM 3 C GLY A 1 -24.904 19.982 29.229 1.00 0.00 C ATOM 4 O GLY A 1 -25.976 20.585 29.282 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.766 18.970 32.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.104 19.591 31.299 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.915 17.912 31.474 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.593 18.704 30.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.919 17.867 29.554 1.00 0.00 H new ATOM 8 N SER A 2 -23.911 20.341 28.423 1.00 0.00 N ATOM 9 CA SER A 2 -24.025 21.492 27.535 1.00 0.00 C ATOM 10 C SER A 2 -22.793 21.614 26.643 1.00 0.00 C ATOM 11 O SER A 2 -21.993 22.537 26.793 1.00 0.00 O ATOM 12 CB SER A 2 -24.207 22.774 28.350 1.00 0.00 C ATOM 13 OG SER A 2 -23.102 22.994 29.210 1.00 0.00 O ATOM 0 H SER A 2 -23.018 19.851 28.366 1.00 0.00 H new ATOM 0 HA SER A 2 -24.899 21.345 26.900 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.322 23.623 27.677 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.122 22.707 28.939 1.00 0.00 H new ATOM 0 HG SER A 2 -22.282 23.061 28.678 1.00 0.00 H new ATOM 19 N SER A 3 -22.649 20.676 25.713 1.00 0.00 N ATOM 20 CA SER A 3 -21.514 20.675 24.797 1.00 0.00 C ATOM 21 C SER A 3 -21.941 21.118 23.402 1.00 0.00 C ATOM 22 O SER A 3 -23.109 21.425 23.166 1.00 0.00 O ATOM 23 CB SER A 3 -20.886 19.281 24.732 1.00 0.00 C ATOM 24 OG SER A 3 -21.081 18.693 23.458 1.00 0.00 O ATOM 0 H SER A 3 -23.304 19.907 25.574 1.00 0.00 H new ATOM 0 HA SER A 3 -20.775 21.382 25.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.819 19.349 24.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.325 18.645 25.501 1.00 0.00 H new ATOM 0 HG SER A 3 -20.669 17.804 23.442 1.00 0.00 H new ATOM 30 N GLY A 4 -20.985 21.150 22.479 1.00 0.00 N ATOM 31 CA GLY A 4 -21.280 21.557 21.117 1.00 0.00 C ATOM 32 C GLY A 4 -20.027 21.824 20.307 1.00 0.00 C ATOM 33 O GLY A 4 -19.680 22.977 20.050 1.00 0.00 O ATOM 0 H GLY A 4 -20.011 20.901 22.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.866 20.779 20.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.896 22.456 21.135 1.00 0.00 H new ATOM 37 N SER A 5 -19.345 20.756 19.905 1.00 0.00 N ATOM 38 CA SER A 5 -18.120 20.881 19.124 1.00 0.00 C ATOM 39 C SER A 5 -18.204 20.051 17.847 1.00 0.00 C ATOM 40 O SER A 5 -17.739 18.912 17.802 1.00 0.00 O ATOM 41 CB SER A 5 -16.914 20.440 19.955 1.00 0.00 C ATOM 42 OG SER A 5 -17.095 20.753 21.325 1.00 0.00 O ATOM 0 H SER A 5 -19.620 19.795 20.107 1.00 0.00 H new ATOM 0 HA SER A 5 -17.998 21.928 18.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.763 19.366 19.841 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.014 20.929 19.583 1.00 0.00 H new ATOM 0 HG SER A 5 -16.311 20.459 21.834 1.00 0.00 H new ATOM 48 N SER A 6 -18.800 20.631 16.810 1.00 0.00 N ATOM 49 CA SER A 6 -18.949 19.945 15.532 1.00 0.00 C ATOM 50 C SER A 6 -17.644 19.270 15.122 1.00 0.00 C ATOM 51 O SER A 6 -17.639 18.127 14.666 1.00 0.00 O ATOM 52 CB SER A 6 -19.389 20.930 14.448 1.00 0.00 C ATOM 53 OG SER A 6 -20.801 21.025 14.386 1.00 0.00 O ATOM 0 H SER A 6 -19.187 21.574 16.830 1.00 0.00 H new ATOM 0 HA SER A 6 -19.714 19.177 15.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.964 21.913 14.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.001 20.609 13.482 1.00 0.00 H new ATOM 0 HG SER A 6 -21.056 21.662 13.686 1.00 0.00 H new ATOM 59 N GLY A 7 -16.536 19.987 15.289 1.00 0.00 N ATOM 60 CA GLY A 7 -15.239 19.442 14.932 1.00 0.00 C ATOM 61 C GLY A 7 -14.789 19.875 13.551 1.00 0.00 C ATOM 62 O GLY A 7 -14.290 20.985 13.374 1.00 0.00 O ATOM 0 H GLY A 7 -16.514 20.935 15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.500 19.759 15.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.282 18.354 14.972 1.00 0.00 H new ATOM 66 N GLN A 8 -14.964 18.994 12.571 1.00 0.00 N ATOM 67 CA GLN A 8 -14.570 19.291 11.198 1.00 0.00 C ATOM 68 C GLN A 8 -15.545 18.668 10.205 1.00 0.00 C ATOM 69 O GLN A 8 -16.240 17.697 10.505 1.00 0.00 O ATOM 70 CB GLN A 8 -13.154 18.778 10.931 1.00 0.00 C ATOM 71 CG GLN A 8 -12.802 17.524 11.715 1.00 0.00 C ATOM 72 CD GLN A 8 -11.691 16.723 11.066 1.00 0.00 C ATOM 73 OE1 GLN A 8 -11.693 15.492 11.105 1.00 0.00 O ATOM 74 NE2 GLN A 8 -10.733 17.418 10.463 1.00 0.00 N ATOM 0 H GLN A 8 -15.375 18.070 12.702 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.589 20.373 11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.046 18.573 9.866 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.440 19.563 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.501 17.804 12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.689 16.898 11.809 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.771 18.437 10.455 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.960 16.932 10.008 1.00 0.00 H new ATOM 83 N PRO A 9 -15.600 19.239 8.992 1.00 0.00 N ATOM 84 CA PRO A 9 -16.487 18.756 7.930 1.00 0.00 C ATOM 85 C PRO A 9 -16.050 17.402 7.381 1.00 0.00 C ATOM 86 O PRO A 9 -14.902 17.229 6.970 1.00 0.00 O ATOM 87 CB PRO A 9 -16.367 19.834 6.850 1.00 0.00 C ATOM 88 CG PRO A 9 -15.032 20.454 7.080 1.00 0.00 C ATOM 89 CD PRO A 9 -14.801 20.399 8.565 1.00 0.00 C ATOM 0 HA PRO A 9 -17.505 18.603 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.437 19.403 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.166 20.571 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.253 19.913 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.012 21.483 6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.745 20.269 8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.128 21.315 9.057 1.00 0.00 H new ATOM 97 N ILE A 10 -16.972 16.445 7.377 1.00 0.00 N ATOM 98 CA ILE A 10 -16.681 15.107 6.877 1.00 0.00 C ATOM 99 C ILE A 10 -15.772 15.163 5.653 1.00 0.00 C ATOM 100 O ILE A 10 -15.707 16.178 4.960 1.00 0.00 O ATOM 101 CB ILE A 10 -17.971 14.350 6.509 1.00 0.00 C ATOM 102 CG1 ILE A 10 -18.001 12.984 7.198 1.00 0.00 C ATOM 103 CG2 ILE A 10 -18.081 14.192 5.000 1.00 0.00 C ATOM 104 CD1 ILE A 10 -18.530 11.875 6.316 1.00 0.00 C ATOM 0 H ILE A 10 -17.926 16.571 7.714 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.173 14.574 7.681 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.826 14.929 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.993 12.728 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.619 13.051 8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.998 13.655 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.101 15.176 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.223 13.631 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.523 10.936 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.550 12.108 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.899 11.781 5.432 1.00 0.00 H new ATOM 116 N LYS A 11 -15.072 14.064 5.393 1.00 0.00 N ATOM 117 CA LYS A 11 -14.168 13.985 4.251 1.00 0.00 C ATOM 118 C LYS A 11 -14.512 12.790 3.367 1.00 0.00 C ATOM 119 O LYS A 11 -15.316 11.939 3.745 1.00 0.00 O ATOM 120 CB LYS A 11 -12.718 13.879 4.729 1.00 0.00 C ATOM 121 CG LYS A 11 -11.971 15.201 4.702 1.00 0.00 C ATOM 122 CD LYS A 11 -10.659 15.084 3.944 1.00 0.00 C ATOM 123 CE LYS A 11 -9.554 15.886 4.615 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.161 15.300 5.926 1.00 0.00 N ATOM 0 H LYS A 11 -15.113 13.215 5.958 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.285 14.895 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.707 13.486 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.190 13.160 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.595 15.963 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.775 15.530 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.364 14.036 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.796 15.436 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.684 15.925 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.889 16.913 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.202 15.616 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.829 15.612 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.177 14.262 5.861 1.00 0.00 H new ATOM 138 N GLN A 12 -13.896 12.734 2.191 1.00 0.00 N ATOM 139 CA GLN A 12 -14.138 11.643 1.254 1.00 0.00 C ATOM 140 C GLN A 12 -13.575 10.331 1.791 1.00 0.00 C ATOM 141 O GLN A 12 -12.978 10.295 2.866 1.00 0.00 O ATOM 142 CB GLN A 12 -13.513 11.962 -0.105 1.00 0.00 C ATOM 143 CG GLN A 12 -12.107 12.533 -0.010 1.00 0.00 C ATOM 144 CD GLN A 12 -11.092 11.716 -0.785 1.00 0.00 C ATOM 145 OE1 GLN A 12 -11.439 11.004 -1.728 1.00 0.00 O ATOM 146 NE2 GLN A 12 -9.827 11.815 -0.391 1.00 0.00 N ATOM 0 H GLN A 12 -13.226 13.430 1.864 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.216 11.533 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.487 11.053 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.150 12.673 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.108 13.556 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.808 12.579 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.583 12.417 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.099 11.289 -0.875 1.00 0.00 H new ATOM 155 N GLU A 13 -13.770 9.256 1.034 1.00 0.00 N ATOM 156 CA GLU A 13 -13.283 7.941 1.435 1.00 0.00 C ATOM 157 C GLU A 13 -12.279 7.400 0.421 1.00 0.00 C ATOM 158 O GLU A 13 -12.587 7.267 -0.764 1.00 0.00 O ATOM 159 CB GLU A 13 -14.451 6.963 1.584 1.00 0.00 C ATOM 160 CG GLU A 13 -15.522 7.127 0.519 1.00 0.00 C ATOM 161 CD GLU A 13 -16.733 6.251 0.770 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.184 6.182 1.933 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.230 5.633 -0.195 1.00 0.00 O ATOM 0 H GLU A 13 -14.261 9.270 0.140 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.781 8.046 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.067 5.944 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.904 7.098 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.835 8.171 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.099 6.885 -0.456 1.00 0.00 H new ATOM 170 N LEU A 14 -11.077 7.091 0.895 1.00 0.00 N ATOM 171 CA LEU A 14 -10.026 6.564 0.031 1.00 0.00 C ATOM 172 C LEU A 14 -10.177 5.058 -0.155 1.00 0.00 C ATOM 173 O LEU A 14 -10.066 4.545 -1.268 1.00 0.00 O ATOM 174 CB LEU A 14 -8.650 6.882 0.617 1.00 0.00 C ATOM 175 CG LEU A 14 -8.395 8.346 0.976 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.415 8.450 2.134 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.875 9.109 -0.234 1.00 0.00 C ATOM 0 H LEU A 14 -10.806 7.196 1.873 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.118 7.042 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.512 6.279 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.891 6.567 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.340 8.793 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.246 9.500 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.826 7.939 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.470 7.986 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.699 10.149 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.941 8.660 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.612 9.065 -1.036 1.00 0.00 H new ATOM 189 N SER A 15 -10.433 4.354 0.943 1.00 0.00 N ATOM 190 CA SER A 15 -10.598 2.906 0.902 1.00 0.00 C ATOM 191 C SER A 15 -9.251 2.211 0.724 1.00 0.00 C ATOM 192 O SER A 15 -8.197 2.835 0.842 1.00 0.00 O ATOM 193 CB SER A 15 -11.543 2.511 -0.234 1.00 0.00 C ATOM 194 OG SER A 15 -12.656 3.386 -0.299 1.00 0.00 O ATOM 0 H SER A 15 -10.531 4.763 1.872 1.00 0.00 H new ATOM 0 HA SER A 15 -11.029 2.587 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.005 2.530 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.889 1.488 -0.085 1.00 0.00 H new ATOM 0 HG SER A 15 -13.244 3.113 -1.034 1.00 0.00 H new ATOM 200 N CYS A 16 -9.296 0.914 0.438 1.00 0.00 N ATOM 201 CA CYS A 16 -8.081 0.131 0.243 1.00 0.00 C ATOM 202 C CYS A 16 -8.357 -1.093 -0.626 1.00 0.00 C ATOM 203 O CYS A 16 -8.721 -2.156 -0.123 1.00 0.00 O ATOM 204 CB CYS A 16 -7.509 -0.306 1.593 1.00 0.00 C ATOM 205 SG CYS A 16 -6.405 -1.752 1.499 1.00 0.00 S ATOM 0 H CYS A 16 -10.161 0.383 0.336 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.351 0.759 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.961 0.528 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.334 -0.535 2.268 1.00 0.00 H new ATOM 210 N LYS A 17 -8.180 -0.935 -1.933 1.00 0.00 N ATOM 211 CA LYS A 17 -8.407 -2.026 -2.873 1.00 0.00 C ATOM 212 C LYS A 17 -7.243 -3.012 -2.854 1.00 0.00 C ATOM 213 O LYS A 17 -6.591 -3.236 -3.874 1.00 0.00 O ATOM 214 CB LYS A 17 -8.600 -1.476 -4.288 1.00 0.00 C ATOM 215 CG LYS A 17 -9.850 -0.628 -4.446 1.00 0.00 C ATOM 216 CD LYS A 17 -11.097 -1.389 -4.029 1.00 0.00 C ATOM 217 CE LYS A 17 -11.686 -0.831 -2.742 1.00 0.00 C ATOM 218 NZ LYS A 17 -13.115 -1.216 -2.574 1.00 0.00 N ATOM 0 H LYS A 17 -7.880 -0.061 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.311 -2.553 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.729 -0.879 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.645 -2.309 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.756 0.276 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.947 -0.311 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.841 -1.335 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.853 -2.442 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.109 -1.194 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.600 0.256 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.480 -0.817 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.670 -0.848 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.194 -2.253 -2.546 1.00 0.00 H new ATOM 232 N TRP A 18 -6.990 -3.599 -1.690 1.00 0.00 N ATOM 233 CA TRP A 18 -5.906 -4.562 -1.540 1.00 0.00 C ATOM 234 C TRP A 18 -6.443 -5.989 -1.532 1.00 0.00 C ATOM 235 O TRP A 18 -6.935 -6.472 -0.512 1.00 0.00 O ATOM 236 CB TRP A 18 -5.129 -4.290 -0.250 1.00 0.00 C ATOM 237 CG TRP A 18 -4.010 -5.259 -0.015 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.125 -6.570 0.352 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.608 -4.993 -0.127 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.878 -7.135 0.473 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.931 -6.188 0.184 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.859 -3.862 -0.463 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.542 -6.282 0.170 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.480 -3.957 -0.476 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.167 -5.159 -0.162 1.00 0.00 C ATOM 0 H TRP A 18 -7.521 -3.425 -0.837 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.234 -4.451 -2.391 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.723 -3.279 -0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.817 -4.328 0.595 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.058 -7.086 0.522 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.688 -8.102 0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.349 -2.931 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.042 -7.208 0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.109 -3.089 -0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.246 -5.201 -0.182 1.00 0.00 H new ATOM 256 N ILE A 19 -6.345 -6.660 -2.676 1.00 0.00 N ATOM 257 CA ILE A 19 -6.820 -8.032 -2.799 1.00 0.00 C ATOM 258 C ILE A 19 -5.780 -9.022 -2.286 1.00 0.00 C ATOM 259 O ILE A 19 -4.634 -9.024 -2.737 1.00 0.00 O ATOM 260 CB ILE A 19 -7.166 -8.379 -4.259 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.146 -7.353 -4.831 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.748 -9.782 -4.347 1.00 0.00 C ATOM 263 CD1 ILE A 19 -7.694 -6.751 -6.143 1.00 0.00 C ATOM 0 H ILE A 19 -5.941 -6.275 -3.530 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.722 -8.109 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.251 -8.349 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.116 -7.830 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.288 -6.554 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.987 -10.012 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.020 -10.502 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.655 -9.838 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.437 -6.033 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.739 -6.245 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.580 -7.541 -6.885 1.00 0.00 H new ATOM 275 N ASP A 20 -6.187 -9.863 -1.342 1.00 0.00 N ATOM 276 CA ASP A 20 -5.291 -10.861 -0.769 1.00 0.00 C ATOM 277 C ASP A 20 -5.526 -12.229 -1.401 1.00 0.00 C ATOM 278 O ASP A 20 -6.471 -12.415 -2.168 1.00 0.00 O ATOM 279 CB ASP A 20 -5.488 -10.945 0.746 1.00 0.00 C ATOM 280 CG ASP A 20 -4.190 -10.770 1.509 1.00 0.00 C ATOM 281 OD1 ASP A 20 -3.180 -11.386 1.110 1.00 0.00 O ATOM 282 OD2 ASP A 20 -4.184 -10.017 2.506 1.00 0.00 O ATOM 0 H ASP A 20 -7.132 -9.874 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.266 -10.555 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.197 -10.179 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.928 -11.910 0.999 1.00 0.00 H new ATOM 287 N GLU A 21 -4.660 -13.183 -1.075 1.00 0.00 N ATOM 288 CA GLU A 21 -4.773 -14.534 -1.613 1.00 0.00 C ATOM 289 C GLU A 21 -4.974 -15.551 -0.493 1.00 0.00 C ATOM 290 O GLU A 21 -4.293 -15.504 0.531 1.00 0.00 O ATOM 291 CB GLU A 21 -3.525 -14.890 -2.423 1.00 0.00 C ATOM 292 CG GLU A 21 -3.463 -16.351 -2.834 1.00 0.00 C ATOM 293 CD GLU A 21 -4.284 -16.643 -4.075 1.00 0.00 C ATOM 294 OE1 GLU A 21 -4.901 -15.700 -4.613 1.00 0.00 O ATOM 295 OE2 GLU A 21 -4.310 -17.814 -4.509 1.00 0.00 O ATOM 0 H GLU A 21 -3.873 -13.046 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.643 -14.565 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.493 -14.268 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.639 -14.649 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.425 -16.630 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.820 -16.971 -2.012 1.00 0.00 H new ATOM 302 N ALA A 22 -5.914 -16.468 -0.697 1.00 0.00 N ATOM 303 CA ALA A 22 -6.204 -17.497 0.294 1.00 0.00 C ATOM 304 C ALA A 22 -6.933 -16.910 1.498 1.00 0.00 C ATOM 305 O ALA A 22 -6.825 -17.425 2.611 1.00 0.00 O ATOM 306 CB ALA A 22 -4.919 -18.182 0.735 1.00 0.00 C ATOM 0 H ALA A 22 -6.487 -16.519 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.857 -18.237 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.151 -18.948 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.439 -18.644 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.246 -17.445 1.174 1.00 0.00 H new ATOM 312 N GLN A 23 -7.673 -15.831 1.268 1.00 0.00 N ATOM 313 CA GLN A 23 -8.418 -15.174 2.335 1.00 0.00 C ATOM 314 C GLN A 23 -9.542 -16.069 2.845 1.00 0.00 C ATOM 315 O GLN A 23 -10.246 -15.721 3.794 1.00 0.00 O ATOM 316 CB GLN A 23 -8.992 -13.845 1.841 1.00 0.00 C ATOM 317 CG GLN A 23 -9.688 -13.946 0.494 1.00 0.00 C ATOM 318 CD GLN A 23 -8.851 -13.387 -0.640 1.00 0.00 C ATOM 319 OE1 GLN A 23 -7.893 -14.018 -1.089 1.00 0.00 O ATOM 320 NE2 GLN A 23 -9.207 -12.197 -1.109 1.00 0.00 N ATOM 0 H GLN A 23 -7.773 -15.393 0.352 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.730 -14.981 3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.700 -13.468 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.186 -13.115 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.921 -14.991 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.636 -13.410 0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.008 -11.709 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.680 -11.771 -1.871 1.00 0.00 H new ATOM 329 N LEU A 24 -9.707 -17.223 2.208 1.00 0.00 N ATOM 330 CA LEU A 24 -10.747 -18.170 2.597 1.00 0.00 C ATOM 331 C LEU A 24 -12.088 -17.789 1.979 1.00 0.00 C ATOM 332 O LEU A 24 -12.795 -18.638 1.434 1.00 0.00 O ATOM 333 CB LEU A 24 -10.872 -18.223 4.121 1.00 0.00 C ATOM 334 CG LEU A 24 -11.033 -19.615 4.733 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.381 -19.673 6.106 1.00 0.00 C ATOM 336 CD2 LEU A 24 -12.504 -19.991 4.823 1.00 0.00 C ATOM 0 H LEU A 24 -9.134 -17.526 1.420 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.464 -19.155 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.987 -17.758 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.728 -17.617 4.417 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.534 -20.336 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.506 -20.671 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.318 -19.448 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.851 -18.941 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.599 -20.985 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.027 -19.267 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.941 -19.991 3.825 1.00 0.00 H new ATOM 348 N SER A 25 -12.431 -16.508 2.064 1.00 0.00 N ATOM 349 CA SER A 25 -13.689 -16.015 1.514 1.00 0.00 C ATOM 350 C SER A 25 -13.511 -15.573 0.065 1.00 0.00 C ATOM 351 O SER A 25 -12.799 -14.610 -0.219 1.00 0.00 O ATOM 352 CB SER A 25 -14.215 -14.850 2.354 1.00 0.00 C ATOM 353 OG SER A 25 -13.828 -14.983 3.711 1.00 0.00 O ATOM 0 H SER A 25 -11.856 -15.792 2.508 1.00 0.00 H new ATOM 0 HA SER A 25 -14.414 -16.829 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.835 -13.909 1.955 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.302 -14.810 2.285 1.00 0.00 H new ATOM 0 HG SER A 25 -14.175 -14.225 4.226 1.00 0.00 H new ATOM 359 N ARG A 26 -14.165 -16.284 -0.848 1.00 0.00 N ATOM 360 CA ARG A 26 -14.080 -15.967 -2.269 1.00 0.00 C ATOM 361 C ARG A 26 -15.417 -15.452 -2.792 1.00 0.00 C ATOM 362 O ARG A 26 -16.471 -15.669 -2.194 1.00 0.00 O ATOM 363 CB ARG A 26 -13.649 -17.201 -3.063 1.00 0.00 C ATOM 364 CG ARG A 26 -12.143 -17.324 -3.228 1.00 0.00 C ATOM 365 CD ARG A 26 -11.718 -17.074 -4.667 1.00 0.00 C ATOM 366 NE ARG A 26 -10.600 -17.926 -5.063 1.00 0.00 N ATOM 367 CZ ARG A 26 -9.395 -17.863 -4.509 1.00 0.00 C ATOM 368 NH1 ARG A 26 -9.152 -16.991 -3.540 1.00 0.00 N ATOM 369 NH2 ARG A 26 -8.429 -18.672 -4.925 1.00 0.00 N ATOM 0 H ARG A 26 -14.760 -17.083 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.334 -15.183 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.025 -18.094 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.113 -17.168 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.644 -16.611 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.822 -18.319 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.564 -17.253 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.436 -16.028 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.753 -18.607 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.892 -16.367 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.225 -16.945 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.612 -19.343 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.504 -18.623 -4.499 1.00 0.00 H new ATOM 383 N PRO A 27 -15.376 -14.754 -3.937 1.00 0.00 N ATOM 384 CA PRO A 27 -14.128 -14.489 -4.658 1.00 0.00 C ATOM 385 C PRO A 27 -13.225 -13.511 -3.914 1.00 0.00 C ATOM 386 O PRO A 27 -13.684 -12.753 -3.059 1.00 0.00 O ATOM 387 CB PRO A 27 -14.604 -13.879 -5.979 1.00 0.00 C ATOM 388 CG PRO A 27 -15.932 -13.283 -5.663 1.00 0.00 C ATOM 389 CD PRO A 27 -16.545 -14.168 -4.614 1.00 0.00 C ATOM 0 HA PRO A 27 -13.529 -15.391 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.907 -13.123 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.685 -14.636 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.824 -12.262 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.561 -13.239 -6.552 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -17.167 -13.600 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -17.180 -14.936 -5.057 1.00 0.00 H new ATOM 397 N LYS A 28 -11.938 -13.533 -4.244 1.00 0.00 N ATOM 398 CA LYS A 28 -10.969 -12.647 -3.609 1.00 0.00 C ATOM 399 C LYS A 28 -11.538 -11.240 -3.455 1.00 0.00 C ATOM 400 O LYS A 28 -11.410 -10.406 -4.351 1.00 0.00 O ATOM 401 CB LYS A 28 -9.677 -12.599 -4.429 1.00 0.00 C ATOM 402 CG LYS A 28 -8.832 -13.855 -4.304 1.00 0.00 C ATOM 403 CD LYS A 28 -7.549 -13.744 -5.111 1.00 0.00 C ATOM 404 CE LYS A 28 -7.579 -14.649 -6.333 1.00 0.00 C ATOM 405 NZ LYS A 28 -7.751 -16.081 -5.959 1.00 0.00 N ATOM 0 H LYS A 28 -11.541 -14.155 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.748 -13.042 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.928 -12.442 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.086 -11.740 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.590 -14.029 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.405 -14.716 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.404 -12.711 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.699 -14.008 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.394 -14.345 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.654 -14.529 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.186 -16.677 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.433 -16.224 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.754 -16.343 -6.040 1.00 0.00 H new ATOM 419 N LYS A 29 -12.166 -10.983 -2.312 1.00 0.00 N ATOM 420 CA LYS A 29 -12.752 -9.677 -2.038 1.00 0.00 C ATOM 421 C LYS A 29 -11.697 -8.705 -1.520 1.00 0.00 C ATOM 422 O LYS A 29 -10.806 -9.087 -0.762 1.00 0.00 O ATOM 423 CB LYS A 29 -13.885 -9.808 -1.018 1.00 0.00 C ATOM 424 CG LYS A 29 -13.469 -10.503 0.267 1.00 0.00 C ATOM 425 CD LYS A 29 -14.628 -10.607 1.245 1.00 0.00 C ATOM 426 CE LYS A 29 -14.272 -10.012 2.598 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.503 -8.541 2.635 1.00 0.00 N ATOM 0 H LYS A 29 -12.282 -11.663 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.155 -9.284 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.263 -8.814 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.708 -10.361 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.095 -11.501 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.649 -9.954 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.497 -10.091 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.908 -11.653 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.867 -10.493 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.226 -10.221 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.249 -8.173 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.916 -8.079 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.506 -8.342 2.446 1.00 0.00 H new ATOM 441 N SER A 30 -11.805 -7.446 -1.933 1.00 0.00 N ATOM 442 CA SER A 30 -10.858 -6.420 -1.512 1.00 0.00 C ATOM 443 C SER A 30 -10.954 -6.176 -0.009 1.00 0.00 C ATOM 444 O SER A 30 -11.962 -6.498 0.621 1.00 0.00 O ATOM 445 CB SER A 30 -11.117 -5.116 -2.269 1.00 0.00 C ATOM 446 OG SER A 30 -12.295 -4.480 -1.803 1.00 0.00 O ATOM 0 H SER A 30 -12.538 -7.112 -2.558 1.00 0.00 H new ATOM 0 HA SER A 30 -9.852 -6.772 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.266 -4.446 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.209 -5.323 -3.335 1.00 0.00 H new ATOM 0 HG SER A 30 -12.864 -4.246 -2.566 1.00 0.00 H new ATOM 452 N CYS A 31 -9.898 -5.604 0.560 1.00 0.00 N ATOM 453 CA CYS A 31 -9.860 -5.317 1.989 1.00 0.00 C ATOM 454 C CYS A 31 -10.888 -4.251 2.356 1.00 0.00 C ATOM 455 O CYS A 31 -11.207 -4.059 3.530 1.00 0.00 O ATOM 456 CB CYS A 31 -8.461 -4.855 2.401 1.00 0.00 C ATOM 457 SG CYS A 31 -8.444 -3.702 3.811 1.00 0.00 S ATOM 0 H CYS A 31 -9.057 -5.330 0.053 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.105 -6.234 2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.861 -5.729 2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.982 -4.375 1.547 1.00 0.00 H new ATOM 462 N ASP A 32 -11.404 -3.560 1.345 1.00 0.00 N ATOM 463 CA ASP A 32 -12.397 -2.514 1.560 1.00 0.00 C ATOM 464 C ASP A 32 -11.828 -1.396 2.428 1.00 0.00 C ATOM 465 O ASP A 32 -11.181 -0.476 1.927 1.00 0.00 O ATOM 466 CB ASP A 32 -13.649 -3.098 2.215 1.00 0.00 C ATOM 467 CG ASP A 32 -14.504 -2.036 2.880 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.372 -0.852 2.508 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.303 -2.390 3.772 1.00 0.00 O ATOM 0 H ASP A 32 -11.151 -3.706 0.368 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.665 -2.096 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.241 -3.618 1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.355 -3.840 2.957 1.00 0.00 H new ATOM 474 N ARG A 33 -12.075 -1.481 3.731 1.00 0.00 N ATOM 475 CA ARG A 33 -11.590 -0.474 4.668 1.00 0.00 C ATOM 476 C ARG A 33 -12.114 0.910 4.298 1.00 0.00 C ATOM 477 O ARG A 33 -12.693 1.102 3.228 1.00 0.00 O ATOM 478 CB ARG A 33 -10.061 -0.463 4.690 1.00 0.00 C ATOM 479 CG ARG A 33 -9.462 -1.302 5.808 1.00 0.00 C ATOM 480 CD ARG A 33 -9.902 -0.804 7.175 1.00 0.00 C ATOM 481 NE ARG A 33 -11.051 -1.548 7.685 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.876 -1.080 8.615 1.00 0.00 C ATOM 483 NH1 ARG A 33 -11.682 0.125 9.132 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.899 -1.818 9.027 1.00 0.00 N ATOM 0 H ARG A 33 -12.608 -2.236 4.162 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.959 -0.730 5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.690 -0.830 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.715 0.565 4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.763 -2.342 5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.374 -1.274 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.073 -0.892 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.155 0.254 7.111 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.230 -2.478 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.898 0.695 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.317 0.482 9.846 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.052 -2.745 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.532 -1.458 9.741 1.00 0.00 H new ATOM 498 N THR A 34 -11.908 1.873 5.191 1.00 0.00 N ATOM 499 CA THR A 34 -12.361 3.239 4.960 1.00 0.00 C ATOM 500 C THR A 34 -11.521 4.238 5.749 1.00 0.00 C ATOM 501 O THR A 34 -11.484 4.198 6.979 1.00 0.00 O ATOM 502 CB THR A 34 -13.841 3.413 5.347 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.066 2.907 6.667 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.747 2.691 4.360 1.00 0.00 C ATOM 0 H THR A 34 -11.430 1.732 6.081 1.00 0.00 H new ATOM 0 HA THR A 34 -12.246 3.434 3.894 1.00 0.00 H new ATOM 0 HB THR A 34 -14.077 4.477 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.308 3.143 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.788 2.828 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.595 3.099 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.508 1.628 4.357 1.00 0.00 H new ATOM 512 N PHE A 35 -10.848 5.133 5.033 1.00 0.00 N ATOM 513 CA PHE A 35 -10.007 6.142 5.667 1.00 0.00 C ATOM 514 C PHE A 35 -10.397 7.543 5.205 1.00 0.00 C ATOM 515 O PHE A 35 -10.816 7.738 4.064 1.00 0.00 O ATOM 516 CB PHE A 35 -8.533 5.881 5.351 1.00 0.00 C ATOM 517 CG PHE A 35 -8.165 4.425 5.370 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.767 3.813 6.548 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.217 3.668 4.211 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.427 2.474 6.569 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.879 2.327 4.226 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.484 1.730 5.406 1.00 0.00 C ATOM 0 H PHE A 35 -10.869 5.180 4.014 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.157 6.078 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.302 6.293 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.915 6.413 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.722 4.389 7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.525 4.130 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.117 2.009 7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.924 1.748 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.220 0.683 5.420 1.00 0.00 H new ATOM 532 N SER A 36 -10.257 8.515 6.100 1.00 0.00 N ATOM 533 CA SER A 36 -10.599 9.898 5.787 1.00 0.00 C ATOM 534 C SER A 36 -9.348 10.704 5.449 1.00 0.00 C ATOM 535 O SER A 36 -9.429 11.783 4.862 1.00 0.00 O ATOM 536 CB SER A 36 -11.333 10.544 6.964 1.00 0.00 C ATOM 537 OG SER A 36 -12.727 10.615 6.719 1.00 0.00 O ATOM 0 H SER A 36 -9.909 8.371 7.048 1.00 0.00 H new ATOM 0 HA SER A 36 -11.255 9.896 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.149 9.969 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.939 11.546 7.136 1.00 0.00 H new ATOM 0 HG SER A 36 -13.173 11.030 7.486 1.00 0.00 H new ATOM 543 N THR A 37 -8.189 10.171 5.824 1.00 0.00 N ATOM 544 CA THR A 37 -6.921 10.839 5.563 1.00 0.00 C ATOM 545 C THR A 37 -6.042 10.007 4.636 1.00 0.00 C ATOM 546 O THR A 37 -6.076 8.777 4.672 1.00 0.00 O ATOM 547 CB THR A 37 -6.152 11.115 6.869 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.840 9.881 7.524 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.969 11.997 7.801 1.00 0.00 C ATOM 0 H THR A 37 -8.103 9.278 6.310 1.00 0.00 H new ATOM 0 HA THR A 37 -7.157 11.788 5.081 1.00 0.00 H new ATOM 0 HB THR A 37 -5.228 11.636 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.805 10.025 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.406 12.179 8.717 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.180 12.947 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.907 11.498 8.045 1.00 0.00 H new ATOM 557 N MET A 38 -5.255 10.686 3.807 1.00 0.00 N ATOM 558 CA MET A 38 -4.365 10.008 2.872 1.00 0.00 C ATOM 559 C MET A 38 -3.234 9.300 3.612 1.00 0.00 C ATOM 560 O MET A 38 -2.647 8.346 3.103 1.00 0.00 O ATOM 561 CB MET A 38 -3.787 11.008 1.869 1.00 0.00 C ATOM 562 CG MET A 38 -3.469 10.395 0.515 1.00 0.00 C ATOM 563 SD MET A 38 -4.903 10.341 -0.577 1.00 0.00 S ATOM 564 CE MET A 38 -4.674 8.746 -1.359 1.00 0.00 C ATOM 0 H MET A 38 -5.216 11.704 3.764 1.00 0.00 H new ATOM 0 HA MET A 38 -4.947 9.259 2.334 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.497 11.824 1.732 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.878 11.443 2.284 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.675 10.970 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.088 9.384 0.659 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.376 8.642 -2.186 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.654 8.669 -1.737 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.852 7.955 -0.631 1.00 0.00 H new ATOM 574 N HIS A 39 -2.934 9.775 4.817 1.00 0.00 N ATOM 575 CA HIS A 39 -1.873 9.188 5.628 1.00 0.00 C ATOM 576 C HIS A 39 -2.270 7.799 6.118 1.00 0.00 C ATOM 577 O HIS A 39 -1.453 6.878 6.131 1.00 0.00 O ATOM 578 CB HIS A 39 -1.554 10.090 6.820 1.00 0.00 C ATOM 579 CG HIS A 39 -0.087 10.293 7.042 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.440 10.728 8.240 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.967 10.114 6.212 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.754 10.811 8.136 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.100 10.443 6.916 1.00 0.00 N ATOM 0 H HIS A 39 -3.410 10.564 5.253 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.983 9.094 5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.028 11.060 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.993 9.658 7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.925 9.776 5.187 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.431 11.126 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.053 10.409 6.555 1.00 0.00 H new ATOM 591 N GLU A 40 -3.529 7.656 6.521 1.00 0.00 N ATOM 592 CA GLU A 40 -4.032 6.379 7.013 1.00 0.00 C ATOM 593 C GLU A 40 -3.850 5.282 5.968 1.00 0.00 C ATOM 594 O GLU A 40 -3.225 4.254 6.233 1.00 0.00 O ATOM 595 CB GLU A 40 -5.511 6.499 7.389 1.00 0.00 C ATOM 596 CG GLU A 40 -5.757 7.344 8.627 1.00 0.00 C ATOM 597 CD GLU A 40 -5.880 6.510 9.888 1.00 0.00 C ATOM 598 OE1 GLU A 40 -6.664 5.539 9.883 1.00 0.00 O ATOM 599 OE2 GLU A 40 -5.190 6.830 10.879 1.00 0.00 O ATOM 0 H GLU A 40 -4.218 8.408 6.516 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.459 6.110 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.057 6.931 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.918 5.501 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.940 8.056 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.669 7.925 8.490 1.00 0.00 H new ATOM 606 N LEU A 41 -4.399 5.508 4.780 1.00 0.00 N ATOM 607 CA LEU A 41 -4.297 4.540 3.693 1.00 0.00 C ATOM 608 C LEU A 41 -2.854 4.087 3.500 1.00 0.00 C ATOM 609 O LEU A 41 -2.553 2.895 3.561 1.00 0.00 O ATOM 610 CB LEU A 41 -4.832 5.144 2.394 1.00 0.00 C ATOM 611 CG LEU A 41 -4.975 4.181 1.215 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.338 2.788 1.705 1.00 0.00 C ATOM 613 CD2 LEU A 41 -6.020 4.692 0.233 1.00 0.00 C ATOM 0 H LEU A 41 -4.919 6.353 4.544 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.899 3.670 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.808 5.586 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.170 5.957 2.095 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.017 4.124 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.436 2.116 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.555 2.420 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.284 2.827 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.109 3.994 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.982 4.779 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.718 5.670 -0.143 1.00 0.00 H new ATOM 625 N VAL A 42 -1.963 5.047 3.269 1.00 0.00 N ATOM 626 CA VAL A 42 -0.550 4.747 3.071 1.00 0.00 C ATOM 627 C VAL A 42 0.029 4.011 4.274 1.00 0.00 C ATOM 628 O VAL A 42 0.788 3.053 4.123 1.00 0.00 O ATOM 629 CB VAL A 42 0.266 6.030 2.826 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.713 5.689 2.503 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.358 6.854 1.710 1.00 0.00 C ATOM 0 H VAL A 42 -2.195 6.039 3.214 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.482 4.108 2.191 1.00 0.00 H new ATOM 0 HB VAL A 42 0.253 6.627 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.274 6.608 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.153 5.144 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.750 5.070 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.232 7.757 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.378 6.267 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.376 7.130 1.987 1.00 0.00 H new ATOM 641 N THR A 43 -0.333 4.464 5.470 1.00 0.00 N ATOM 642 CA THR A 43 0.151 3.849 6.699 1.00 0.00 C ATOM 643 C THR A 43 -0.570 2.535 6.978 1.00 0.00 C ATOM 644 O THR A 43 -0.144 1.749 7.823 1.00 0.00 O ATOM 645 CB THR A 43 -0.032 4.788 7.906 1.00 0.00 C ATOM 646 OG1 THR A 43 1.058 5.714 7.977 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.114 3.994 9.202 1.00 0.00 C ATOM 0 H THR A 43 -0.960 5.255 5.613 1.00 0.00 H new ATOM 0 HA THR A 43 1.214 3.654 6.557 1.00 0.00 H new ATOM 0 HB THR A 43 -0.965 5.335 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.933 6.308 8.746 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.243 4.678 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.962 3.311 9.157 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.805 3.423 9.338 1.00 0.00 H new ATOM 655 N HIS A 44 -1.665 2.303 6.261 1.00 0.00 N ATOM 656 CA HIS A 44 -2.445 1.082 6.430 1.00 0.00 C ATOM 657 C HIS A 44 -1.804 -0.081 5.680 1.00 0.00 C ATOM 658 O HIS A 44 -1.370 -1.061 6.287 1.00 0.00 O ATOM 659 CB HIS A 44 -3.877 1.294 5.938 1.00 0.00 C ATOM 660 CG HIS A 44 -4.644 0.020 5.760 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.605 -0.410 6.651 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.590 -0.918 4.786 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.106 -1.559 6.234 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.508 -1.889 5.104 1.00 0.00 N ATOM 0 H HIS A 44 -2.032 2.944 5.558 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.466 0.838 7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.406 1.931 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.851 1.828 4.988 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.885 0.082 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.945 -0.905 3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.874 -2.131 6.733 1.00 0.00 H new ATOM 672 N VAL A 45 -1.748 0.033 4.357 1.00 0.00 N ATOM 673 CA VAL A 45 -1.159 -1.009 3.524 1.00 0.00 C ATOM 674 C VAL A 45 0.291 -1.272 3.916 1.00 0.00 C ATOM 675 O VAL A 45 0.895 -2.254 3.483 1.00 0.00 O ATOM 676 CB VAL A 45 -1.216 -0.633 2.031 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.678 -1.769 1.174 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.638 -0.275 1.627 1.00 0.00 C ATOM 0 H VAL A 45 -2.103 0.837 3.839 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.746 -1.913 3.686 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.586 0.242 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.726 -1.486 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.357 -1.973 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.279 -2.664 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.660 -0.012 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.292 -1.129 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.982 0.573 2.219 1.00 0.00 H new ATOM 688 N THR A 46 0.845 -0.387 4.739 1.00 0.00 N ATOM 689 CA THR A 46 2.225 -0.523 5.189 1.00 0.00 C ATOM 690 C THR A 46 2.366 -1.660 6.194 1.00 0.00 C ATOM 691 O THR A 46 3.054 -2.647 5.936 1.00 0.00 O ATOM 692 CB THR A 46 2.737 0.780 5.831 1.00 0.00 C ATOM 693 OG1 THR A 46 3.099 1.719 4.812 1.00 0.00 O ATOM 694 CG2 THR A 46 3.936 0.508 6.726 1.00 0.00 C ATOM 0 H THR A 46 0.360 0.431 5.107 1.00 0.00 H new ATOM 0 HA THR A 46 2.825 -0.745 4.306 1.00 0.00 H new ATOM 0 HB THR A 46 1.936 1.197 6.441 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.337 2.305 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.280 1.443 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.649 -0.184 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.740 0.069 6.134 1.00 0.00 H new ATOM 702 N MET A 47 1.709 -1.516 7.341 1.00 0.00 N ATOM 703 CA MET A 47 1.761 -2.534 8.384 1.00 0.00 C ATOM 704 C MET A 47 0.595 -3.508 8.250 1.00 0.00 C ATOM 705 O MET A 47 0.787 -4.724 8.267 1.00 0.00 O ATOM 706 CB MET A 47 1.738 -1.879 9.766 1.00 0.00 C ATOM 707 CG MET A 47 0.407 -2.026 10.486 1.00 0.00 C ATOM 708 SD MET A 47 0.446 -1.359 12.161 1.00 0.00 S ATOM 709 CE MET A 47 0.517 0.399 11.823 1.00 0.00 C ATOM 0 H MET A 47 1.135 -0.705 7.571 1.00 0.00 H new ATOM 0 HA MET A 47 2.691 -3.090 8.269 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.524 -2.318 10.380 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.970 -0.819 9.661 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.369 -1.517 9.914 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.134 -3.081 10.525 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.368 0.954 12.749 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.491 0.650 11.403 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.265 0.664 11.111 1.00 0.00 H new ATOM 719 N GLU A 48 -0.611 -2.967 8.119 1.00 0.00 N ATOM 720 CA GLU A 48 -1.807 -3.791 7.984 1.00 0.00 C ATOM 721 C GLU A 48 -1.604 -4.876 6.931 1.00 0.00 C ATOM 722 O GLU A 48 -2.004 -6.025 7.122 1.00 0.00 O ATOM 723 CB GLU A 48 -3.012 -2.923 7.613 1.00 0.00 C ATOM 724 CG GLU A 48 -3.160 -1.684 8.480 1.00 0.00 C ATOM 725 CD GLU A 48 -3.169 -2.006 9.962 1.00 0.00 C ATOM 726 OE1 GLU A 48 -2.189 -2.611 10.444 1.00 0.00 O ATOM 727 OE2 GLU A 48 -4.157 -1.652 10.639 1.00 0.00 O ATOM 0 H GLU A 48 -0.787 -1.962 8.103 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.996 -4.272 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.922 -2.618 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.919 -3.522 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.342 -0.996 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.085 -1.170 8.218 1.00 0.00 H new ATOM 734 N HIS A 49 -0.981 -4.503 5.818 1.00 0.00 N ATOM 735 CA HIS A 49 -0.725 -5.443 4.733 1.00 0.00 C ATOM 736 C HIS A 49 0.766 -5.745 4.616 1.00 0.00 C ATOM 737 O HIS A 49 1.243 -6.771 5.101 1.00 0.00 O ATOM 738 CB HIS A 49 -1.249 -4.885 3.410 1.00 0.00 C ATOM 739 CG HIS A 49 -2.743 -4.794 3.348 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.574 -5.845 3.674 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.554 -3.770 2.996 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.832 -5.471 3.524 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.848 -4.215 3.114 1.00 0.00 N ATOM 0 H HIS A 49 -0.644 -3.556 5.644 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.250 -6.371 4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.826 -3.893 3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.898 -5.517 2.594 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.266 -6.767 3.983 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.242 -2.785 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.700 -6.087 3.706 1.00 0.00 H new ATOM 751 N VAL A 50 1.498 -4.843 3.969 1.00 0.00 N ATOM 752 CA VAL A 50 2.935 -5.013 3.788 1.00 0.00 C ATOM 753 C VAL A 50 3.595 -5.509 5.070 1.00 0.00 C ATOM 754 O VAL A 50 4.588 -6.235 5.028 1.00 0.00 O ATOM 755 CB VAL A 50 3.606 -3.695 3.356 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.011 -3.597 3.930 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.632 -3.584 1.839 1.00 0.00 C ATOM 0 H VAL A 50 1.120 -3.988 3.562 1.00 0.00 H new ATOM 0 HA VAL A 50 3.069 -5.756 3.002 1.00 0.00 H new ATOM 0 HB VAL A 50 3.021 -2.864 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.469 -2.660 3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.962 -3.628 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.610 -4.433 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.109 -2.647 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.193 -4.420 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.612 -3.605 1.455 1.00 0.00 H new ATOM 767 N GLY A 51 3.036 -5.113 6.209 1.00 0.00 N ATOM 768 CA GLY A 51 3.583 -5.528 7.488 1.00 0.00 C ATOM 769 C GLY A 51 5.001 -5.034 7.699 1.00 0.00 C ATOM 770 O GLY A 51 5.599 -4.440 6.803 1.00 0.00 O ATOM 0 H GLY A 51 2.214 -4.512 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.948 -5.153 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.567 -6.616 7.551 1.00 0.00 H new ATOM 774 N GLY A 52 5.540 -5.279 8.890 1.00 0.00 N ATOM 775 CA GLY A 52 6.891 -4.846 9.195 1.00 0.00 C ATOM 776 C GLY A 52 7.938 -5.636 8.436 1.00 0.00 C ATOM 777 O GLY A 52 7.624 -6.442 7.559 1.00 0.00 O ATOM 0 H GLY A 52 5.065 -5.769 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.993 -3.788 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.069 -4.948 10.266 1.00 0.00 H new ATOM 781 N PRO A 53 9.217 -5.406 8.771 1.00 0.00 N ATOM 782 CA PRO A 53 10.340 -6.092 8.125 1.00 0.00 C ATOM 783 C PRO A 53 10.406 -7.570 8.494 1.00 0.00 C ATOM 784 O PRO A 53 11.311 -8.285 8.065 1.00 0.00 O ATOM 785 CB PRO A 53 11.566 -5.350 8.664 1.00 0.00 C ATOM 786 CG PRO A 53 11.123 -4.785 9.969 1.00 0.00 C ATOM 787 CD PRO A 53 9.664 -4.459 9.806 1.00 0.00 C ATOM 0 HA PRO A 53 10.258 -6.074 7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.413 -6.025 8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.885 -4.564 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.275 -5.502 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.696 -3.893 10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.115 -4.594 10.738 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.515 -3.425 9.496 1.00 0.00 H new ATOM 795 N GLU A 54 9.443 -8.020 9.292 1.00 0.00 N ATOM 796 CA GLU A 54 9.394 -9.413 9.718 1.00 0.00 C ATOM 797 C GLU A 54 8.243 -10.150 9.039 1.00 0.00 C ATOM 798 O GLU A 54 7.942 -11.295 9.375 1.00 0.00 O ATOM 799 CB GLU A 54 9.243 -9.500 11.238 1.00 0.00 C ATOM 800 CG GLU A 54 10.177 -8.572 11.997 1.00 0.00 C ATOM 801 CD GLU A 54 11.204 -9.325 12.821 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.908 -9.642 13.992 1.00 0.00 O ATOM 803 OE2 GLU A 54 12.302 -9.598 12.294 1.00 0.00 O ATOM 0 H GLU A 54 8.687 -7.440 9.656 1.00 0.00 H new ATOM 0 HA GLU A 54 10.330 -9.888 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.213 -9.264 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.428 -10.526 11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.691 -7.921 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.590 -7.929 12.653 1.00 0.00 H new ATOM 810 N GLN A 55 7.604 -9.484 8.083 1.00 0.00 N ATOM 811 CA GLN A 55 6.486 -10.075 7.357 1.00 0.00 C ATOM 812 C GLN A 55 6.968 -11.175 6.417 1.00 0.00 C ATOM 813 O GLN A 55 8.036 -11.068 5.817 1.00 0.00 O ATOM 814 CB GLN A 55 5.740 -9.000 6.564 1.00 0.00 C ATOM 815 CG GLN A 55 4.235 -9.207 6.526 1.00 0.00 C ATOM 816 CD GLN A 55 3.843 -10.519 5.875 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.281 -11.403 6.523 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.138 -10.653 4.588 1.00 0.00 N ATOM 0 H GLN A 55 7.841 -8.535 7.793 1.00 0.00 H new ATOM 0 HA GLN A 55 5.806 -10.517 8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.953 -8.024 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.122 -8.983 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.842 -9.178 7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.772 -8.383 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.604 -9.895 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.898 -11.514 4.097 1.00 0.00 H new ATOM 827 N ASN A 56 6.172 -12.232 6.294 1.00 0.00 N ATOM 828 CA ASN A 56 6.518 -13.353 5.427 1.00 0.00 C ATOM 829 C ASN A 56 6.168 -13.045 3.974 1.00 0.00 C ATOM 830 O ASN A 56 5.005 -13.106 3.579 1.00 0.00 O ATOM 831 CB ASN A 56 5.789 -14.619 5.881 1.00 0.00 C ATOM 832 CG ASN A 56 6.657 -15.858 5.765 1.00 0.00 C ATOM 833 OD1 ASN A 56 7.852 -15.768 5.482 1.00 0.00 O ATOM 834 ND2 ASN A 56 6.057 -17.022 5.983 1.00 0.00 N ATOM 0 H ASN A 56 5.283 -12.336 6.783 1.00 0.00 H new ATOM 0 HA ASN A 56 7.594 -13.516 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.468 -14.499 6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.889 -14.752 5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.589 -17.890 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.064 -17.048 6.215 1.00 0.00 H new ATOM 841 N ASN A 57 7.184 -12.714 3.184 1.00 0.00 N ATOM 842 CA ASN A 57 6.985 -12.396 1.775 1.00 0.00 C ATOM 843 C ASN A 57 6.348 -11.019 1.612 1.00 0.00 C ATOM 844 O ASN A 57 5.343 -10.708 2.253 1.00 0.00 O ATOM 845 CB ASN A 57 6.107 -13.458 1.110 1.00 0.00 C ATOM 846 CG ASN A 57 6.642 -13.888 -0.242 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.845 -15.076 -0.492 1.00 0.00 O ATOM 848 ND2 ASN A 57 6.874 -12.921 -1.121 1.00 0.00 N ATOM 0 H ASN A 57 8.154 -12.659 3.496 1.00 0.00 H new ATOM 0 HA ASN A 57 7.961 -12.385 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.037 -14.328 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.097 -13.067 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.235 -13.150 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.691 -11.949 -0.870 1.00 0.00 H new ATOM 855 N HIS A 58 6.938 -10.198 0.750 1.00 0.00 N ATOM 856 CA HIS A 58 6.428 -8.854 0.502 1.00 0.00 C ATOM 857 C HIS A 58 6.071 -8.672 -0.971 1.00 0.00 C ATOM 858 O HIS A 58 6.951 -8.602 -1.829 1.00 0.00 O ATOM 859 CB HIS A 58 7.461 -7.808 0.921 1.00 0.00 C ATOM 860 CG HIS A 58 8.762 -8.398 1.371 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.062 -8.638 2.695 1.00 0.00 N ATOM 862 CD2 HIS A 58 9.844 -8.797 0.663 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.274 -9.158 2.782 1.00 0.00 C ATOM 864 NE2 HIS A 58 10.770 -9.266 1.563 1.00 0.00 N ATOM 0 H HIS A 58 7.770 -10.439 0.211 1.00 0.00 H new ATOM 0 HA HIS A 58 5.524 -8.719 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.647 -7.136 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.047 -7.203 1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.958 -8.755 -0.410 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.774 -9.446 3.695 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.691 -9.637 1.328 1.00 0.00 H new ATOM 872 N VAL A 59 4.775 -8.596 -1.256 1.00 0.00 N ATOM 873 CA VAL A 59 4.302 -8.422 -2.624 1.00 0.00 C ATOM 874 C VAL A 59 3.210 -7.360 -2.696 1.00 0.00 C ATOM 875 O VAL A 59 2.399 -7.224 -1.780 1.00 0.00 O ATOM 876 CB VAL A 59 3.758 -9.742 -3.202 1.00 0.00 C ATOM 877 CG1 VAL A 59 3.417 -9.579 -4.675 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.764 -10.866 -3.001 1.00 0.00 C ATOM 0 H VAL A 59 4.034 -8.652 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 59 5.158 -8.100 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 59 2.844 -10.003 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.034 -10.522 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.659 -8.804 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.313 -9.294 -5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.363 -11.791 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.696 -10.615 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.954 -10.998 -1.936 1.00 0.00 H new ATOM 888 N CYS A 60 3.195 -6.610 -3.793 1.00 0.00 N ATOM 889 CA CYS A 60 2.203 -5.559 -3.987 1.00 0.00 C ATOM 890 C CYS A 60 0.893 -6.139 -4.514 1.00 0.00 C ATOM 891 O CYS A 60 0.847 -6.704 -5.607 1.00 0.00 O ATOM 892 CB CYS A 60 2.733 -4.502 -4.958 1.00 0.00 C ATOM 893 SG CYS A 60 1.571 -3.136 -5.275 1.00 0.00 S ATOM 0 H CYS A 60 3.859 -6.711 -4.561 1.00 0.00 H new ATOM 0 HA CYS A 60 2.011 -5.092 -3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.661 -4.091 -4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.978 -4.984 -5.905 1.00 0.00 H new ATOM 898 N TYR A 61 -0.169 -5.994 -3.730 1.00 0.00 N ATOM 899 CA TYR A 61 -1.479 -6.504 -4.115 1.00 0.00 C ATOM 900 C TYR A 61 -2.464 -5.361 -4.343 1.00 0.00 C ATOM 901 O TYR A 61 -2.607 -4.474 -3.501 1.00 0.00 O ATOM 902 CB TYR A 61 -2.018 -7.449 -3.040 1.00 0.00 C ATOM 903 CG TYR A 61 -1.477 -8.857 -3.146 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.028 -9.770 -4.037 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.414 -9.275 -2.355 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.538 -11.057 -4.136 1.00 0.00 C ATOM 907 CE2 TYR A 61 0.085 -10.560 -2.449 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.481 -11.448 -3.340 1.00 0.00 C ATOM 909 OH TYR A 61 0.011 -12.729 -3.437 1.00 0.00 O ATOM 0 H TYR A 61 -0.148 -5.527 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.366 -7.054 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.771 -7.047 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.105 -7.480 -3.108 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.854 -9.467 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.030 -8.583 -1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.980 -11.754 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.914 -10.867 -1.828 1.00 0.00 H new ATOM 0 HH TYR A 61 0.755 -12.842 -2.809 1.00 0.00 H new ATOM 919 N TRP A 62 -3.139 -5.390 -5.486 1.00 0.00 N ATOM 920 CA TRP A 62 -4.111 -4.357 -5.825 1.00 0.00 C ATOM 921 C TRP A 62 -5.029 -4.821 -6.951 1.00 0.00 C ATOM 922 O TRP A 62 -4.717 -5.776 -7.662 1.00 0.00 O ATOM 923 CB TRP A 62 -3.395 -3.068 -6.233 1.00 0.00 C ATOM 924 CG TRP A 62 -4.193 -1.831 -5.953 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.714 -0.966 -6.873 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.560 -1.320 -4.667 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.382 0.052 -6.236 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.303 -0.143 -4.883 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.334 -1.743 -3.355 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.819 0.614 -3.834 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.847 -0.991 -2.315 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.583 0.176 -2.559 1.00 0.00 C ATOM 0 H TRP A 62 -3.031 -6.117 -6.193 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.720 -4.163 -4.942 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.444 -3.006 -5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.165 -3.110 -7.298 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.615 -1.067 -7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.859 0.827 -6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.769 -2.642 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.385 1.515 -4.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.678 -1.308 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.972 0.741 -1.725 1.00 0.00 H new ATOM 943 N GLU A 63 -6.160 -4.140 -7.106 1.00 0.00 N ATOM 944 CA GLU A 63 -7.122 -4.485 -8.146 1.00 0.00 C ATOM 945 C GLU A 63 -6.648 -3.994 -9.510 1.00 0.00 C ATOM 946 O GLU A 63 -6.935 -4.610 -10.537 1.00 0.00 O ATOM 947 CB GLU A 63 -8.492 -3.886 -7.823 1.00 0.00 C ATOM 948 CG GLU A 63 -9.432 -3.837 -9.016 1.00 0.00 C ATOM 949 CD GLU A 63 -10.867 -4.154 -8.642 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.441 -3.414 -7.816 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.415 -5.142 -9.174 1.00 0.00 O ATOM 0 H GLU A 63 -6.432 -3.347 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.208 -5.571 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.957 -4.471 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.356 -2.876 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.389 -2.846 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.092 -4.546 -9.771 1.00 0.00 H new ATOM 958 N GLU A 64 -5.922 -2.880 -9.513 1.00 0.00 N ATOM 959 CA GLU A 64 -5.410 -2.305 -10.751 1.00 0.00 C ATOM 960 C GLU A 64 -3.917 -2.011 -10.637 1.00 0.00 C ATOM 961 O GLU A 64 -3.485 -0.868 -10.793 1.00 0.00 O ATOM 962 CB GLU A 64 -6.169 -1.023 -11.096 1.00 0.00 C ATOM 963 CG GLU A 64 -7.677 -1.206 -11.159 1.00 0.00 C ATOM 964 CD GLU A 64 -8.356 -0.157 -12.018 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.895 0.067 -13.157 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.349 0.440 -11.552 1.00 0.00 O ATOM 0 H GLU A 64 -5.675 -2.358 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.560 -3.032 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.935 -0.261 -10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.816 -0.650 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.903 -2.196 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.087 -1.165 -10.150 1.00 0.00 H new ATOM 973 N CYS A 65 -3.134 -3.049 -10.364 1.00 0.00 N ATOM 974 CA CYS A 65 -1.690 -2.903 -10.228 1.00 0.00 C ATOM 975 C CYS A 65 -0.967 -3.509 -11.428 1.00 0.00 C ATOM 976 O CYS A 65 -1.380 -4.526 -11.985 1.00 0.00 O ATOM 977 CB CYS A 65 -1.208 -3.571 -8.938 1.00 0.00 C ATOM 978 SG CYS A 65 0.542 -4.075 -8.971 1.00 0.00 S ATOM 0 H CYS A 65 -3.476 -4.001 -10.233 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.460 -1.838 -10.186 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.361 -2.883 -8.106 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.824 -4.449 -8.744 1.00 0.00 H new ATOM 983 N PRO A 66 0.139 -2.870 -11.836 1.00 0.00 N ATOM 984 CA PRO A 66 0.944 -3.327 -12.973 1.00 0.00 C ATOM 985 C PRO A 66 1.686 -4.625 -12.673 1.00 0.00 C ATOM 986 O PRO A 66 1.732 -5.532 -13.504 1.00 0.00 O ATOM 987 CB PRO A 66 1.936 -2.181 -13.189 1.00 0.00 C ATOM 988 CG PRO A 66 2.044 -1.518 -11.860 1.00 0.00 C ATOM 989 CD PRO A 66 0.690 -1.651 -11.219 1.00 0.00 C ATOM 0 HA PRO A 66 0.329 -3.547 -13.846 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.904 -2.553 -13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.579 -1.487 -13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.813 -1.991 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.323 -0.470 -11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.766 -1.748 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.064 -0.781 -11.418 1.00 0.00 H new ATOM 997 N ARG A 67 2.266 -4.707 -11.480 1.00 0.00 N ATOM 998 CA ARG A 67 3.007 -5.894 -11.070 1.00 0.00 C ATOM 999 C ARG A 67 2.060 -7.060 -10.800 1.00 0.00 C ATOM 1000 O ARG A 67 2.487 -8.210 -10.706 1.00 0.00 O ATOM 1001 CB ARG A 67 3.837 -5.598 -9.820 1.00 0.00 C ATOM 1002 CG ARG A 67 4.185 -4.127 -9.655 1.00 0.00 C ATOM 1003 CD ARG A 67 5.607 -3.945 -9.146 1.00 0.00 C ATOM 1004 NE ARG A 67 6.071 -2.569 -9.300 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.352 -2.218 -9.274 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.291 -3.138 -9.102 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.695 -0.945 -9.421 1.00 0.00 N ATOM 0 H ARG A 67 2.237 -3.965 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 67 3.676 -6.172 -11.884 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.287 -5.933 -8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.759 -6.179 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.071 -3.616 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.486 -3.662 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.655 -4.228 -8.095 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.274 -4.615 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 67 5.373 -1.837 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.031 -4.118 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.274 -2.866 -9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.975 -0.235 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.679 -0.676 -9.401 1.00 0.00 H new ATOM 1021 N GLU A 68 0.772 -6.753 -10.677 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.234 -7.776 -10.417 1.00 0.00 C ATOM 1023 C GLU A 68 0.226 -8.724 -9.313 1.00 0.00 C ATOM 1024 O GLU A 68 -0.260 -9.849 -9.203 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.532 -8.566 -11.692 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.956 -7.695 -12.863 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.858 -8.427 -13.838 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -2.099 -9.635 -13.631 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -2.323 -7.792 -14.808 1.00 0.00 O ATOM 0 H GLU A 68 0.401 -5.806 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.145 -7.277 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.356 -9.132 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.320 -9.290 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.474 -6.813 -12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.069 -7.343 -13.389 1.00 0.00 H new ATOM 1036 N GLY A 69 1.170 -8.261 -8.499 1.00 0.00 N ATOM 1037 CA GLY A 69 1.681 -9.080 -7.415 1.00 0.00 C ATOM 1038 C GLY A 69 2.946 -9.824 -7.798 1.00 0.00 C ATOM 1039 O GLY A 69 3.196 -10.928 -7.314 1.00 0.00 O ATOM 0 H GLY A 69 1.590 -7.334 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.882 -8.448 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.918 -9.798 -7.115 1.00 0.00 H new ATOM 1043 N LYS A 70 3.744 -9.220 -8.671 1.00 0.00 N ATOM 1044 CA LYS A 70 4.990 -9.831 -9.120 1.00 0.00 C ATOM 1045 C LYS A 70 5.951 -10.028 -7.952 1.00 0.00 C ATOM 1046 O LYS A 70 6.817 -10.902 -7.989 1.00 0.00 O ATOM 1047 CB LYS A 70 5.648 -8.964 -10.196 1.00 0.00 C ATOM 1048 CG LYS A 70 5.881 -9.695 -11.507 1.00 0.00 C ATOM 1049 CD LYS A 70 6.634 -8.828 -12.502 1.00 0.00 C ATOM 1050 CE LYS A 70 8.122 -9.143 -12.502 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.602 -9.555 -13.850 1.00 0.00 N ATOM 0 H LYS A 70 3.550 -8.307 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 70 4.755 -10.808 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.021 -8.092 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.603 -8.595 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.445 -10.609 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.923 -9.993 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.228 -8.983 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.484 -7.777 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.679 -8.266 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.325 -9.939 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.621 -9.761 -13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.089 -10.406 -14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.432 -8.786 -14.529 1.00 0.00 H new ATOM 1065 N SER A 71 5.791 -9.211 -6.916 1.00 0.00 N ATOM 1066 CA SER A 71 6.647 -9.295 -5.738 1.00 0.00 C ATOM 1067 C SER A 71 7.963 -8.559 -5.970 1.00 0.00 C ATOM 1068 O SER A 71 8.491 -8.542 -7.082 1.00 0.00 O ATOM 1069 CB SER A 71 6.922 -10.757 -5.384 1.00 0.00 C ATOM 1070 OG SER A 71 8.247 -11.125 -5.728 1.00 0.00 O ATOM 0 H SER A 71 5.077 -8.484 -6.868 1.00 0.00 H new ATOM 0 HA SER A 71 6.127 -8.820 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.764 -10.912 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.215 -11.400 -5.908 1.00 0.00 H new ATOM 0 HG SER A 71 8.305 -11.272 -6.695 1.00 0.00 H new ATOM 1076 N PHE A 72 8.489 -7.952 -4.911 1.00 0.00 N ATOM 1077 CA PHE A 72 9.743 -7.214 -4.997 1.00 0.00 C ATOM 1078 C PHE A 72 10.884 -8.004 -4.363 1.00 0.00 C ATOM 1079 O PHE A 72 10.713 -9.158 -3.970 1.00 0.00 O ATOM 1080 CB PHE A 72 9.607 -5.853 -4.311 1.00 0.00 C ATOM 1081 CG PHE A 72 8.733 -4.889 -5.060 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.364 -5.088 -5.134 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.280 -3.783 -5.691 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.556 -4.202 -5.822 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.478 -2.894 -6.380 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.114 -3.104 -6.447 1.00 0.00 C ATOM 0 H PHE A 72 8.066 -7.957 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 72 9.973 -7.060 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.200 -5.998 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.598 -5.415 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.923 -5.946 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.346 -3.614 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.490 -4.368 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.917 -2.035 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.486 -2.411 -6.987 1.00 0.00 H new ATOM 1096 N LYS A 73 12.050 -7.374 -4.267 1.00 0.00 N ATOM 1097 CA LYS A 73 13.221 -8.016 -3.681 1.00 0.00 C ATOM 1098 C LYS A 73 13.400 -7.595 -2.226 1.00 0.00 C ATOM 1099 O LYS A 73 13.890 -8.367 -1.402 1.00 0.00 O ATOM 1100 CB LYS A 73 14.476 -7.664 -4.483 1.00 0.00 C ATOM 1101 CG LYS A 73 15.767 -8.117 -3.822 1.00 0.00 C ATOM 1102 CD LYS A 73 16.919 -8.148 -4.812 1.00 0.00 C ATOM 1103 CE LYS A 73 18.060 -9.021 -4.312 1.00 0.00 C ATOM 1104 NZ LYS A 73 19.360 -8.296 -4.325 1.00 0.00 N ATOM 0 H LYS A 73 12.209 -6.419 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 73 13.068 -9.095 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.405 -8.118 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.512 -6.585 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.011 -7.445 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.628 -9.109 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.565 -8.524 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.282 -7.134 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.842 -9.358 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.135 -9.912 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.112 -8.925 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.581 -7.996 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.297 -7.459 -3.711 1.00 0.00 H new ATOM 1118 N ALA A 74 12.999 -6.366 -1.916 1.00 0.00 N ATOM 1119 CA ALA A 74 13.113 -5.845 -0.560 1.00 0.00 C ATOM 1120 C ALA A 74 11.740 -5.533 0.025 1.00 0.00 C ATOM 1121 O ALA A 74 10.714 -5.761 -0.616 1.00 0.00 O ATOM 1122 CB ALA A 74 13.990 -4.601 -0.544 1.00 0.00 C ATOM 0 H ALA A 74 12.592 -5.713 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 74 13.578 -6.612 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.066 -4.223 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.984 -4.852 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.548 -3.836 -1.183 1.00 0.00 H new ATOM 1128 N LYS A 75 11.727 -5.011 1.247 1.00 0.00 N ATOM 1129 CA LYS A 75 10.480 -4.667 1.920 1.00 0.00 C ATOM 1130 C LYS A 75 10.059 -3.238 1.588 1.00 0.00 C ATOM 1131 O LYS A 75 8.957 -3.005 1.091 1.00 0.00 O ATOM 1132 CB LYS A 75 10.632 -4.826 3.434 1.00 0.00 C ATOM 1133 CG LYS A 75 9.428 -4.339 4.221 1.00 0.00 C ATOM 1134 CD LYS A 75 9.686 -2.981 4.851 1.00 0.00 C ATOM 1135 CE LYS A 75 8.616 -2.628 5.874 1.00 0.00 C ATOM 1136 NZ LYS A 75 7.592 -1.706 5.309 1.00 0.00 N ATOM 0 H LYS A 75 12.567 -4.817 1.792 1.00 0.00 H new ATOM 0 HA LYS A 75 9.706 -5.347 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.805 -5.877 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.515 -4.278 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.562 -4.277 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.184 -5.062 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.664 -2.982 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.714 -2.217 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.131 -3.540 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.083 -2.164 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.716 -1.778 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.946 -0.729 5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.398 -1.966 4.321 1.00 0.00 H new ATOM 1150 N TYR A 76 10.943 -2.287 1.865 1.00 0.00 N ATOM 1151 CA TYR A 76 10.662 -0.881 1.597 1.00 0.00 C ATOM 1152 C TYR A 76 10.287 -0.670 0.134 1.00 0.00 C ATOM 1153 O TYR A 76 9.357 0.073 -0.181 1.00 0.00 O ATOM 1154 CB TYR A 76 11.875 -0.020 1.954 1.00 0.00 C ATOM 1155 CG TYR A 76 12.880 0.104 0.831 1.00 0.00 C ATOM 1156 CD1 TYR A 76 12.718 1.053 -0.171 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.991 -0.729 0.771 1.00 0.00 C ATOM 1158 CE1 TYR A 76 13.634 1.169 -1.199 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.912 -0.618 -0.252 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.729 0.332 -1.235 1.00 0.00 C ATOM 1161 OH TYR A 76 15.644 0.444 -2.257 1.00 0.00 O ATOM 0 H TYR A 76 11.860 -2.463 2.275 1.00 0.00 H new ATOM 0 HA TYR A 76 9.817 -0.581 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.533 0.976 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.369 -0.447 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.862 1.711 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.136 -1.476 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 76 13.493 1.912 -1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.771 -1.272 -0.282 1.00 0.00 H new ATOM 0 HH TYR A 76 16.355 -0.219 -2.133 1.00 0.00 H new ATOM 1171 N LYS A 77 11.017 -1.330 -0.759 1.00 0.00 N ATOM 1172 CA LYS A 77 10.762 -1.219 -2.190 1.00 0.00 C ATOM 1173 C LYS A 77 9.293 -1.481 -2.503 1.00 0.00 C ATOM 1174 O LYS A 77 8.743 -0.930 -3.457 1.00 0.00 O ATOM 1175 CB LYS A 77 11.643 -2.203 -2.964 1.00 0.00 C ATOM 1176 CG LYS A 77 12.975 -1.615 -3.398 1.00 0.00 C ATOM 1177 CD LYS A 77 13.282 -1.943 -4.850 1.00 0.00 C ATOM 1178 CE LYS A 77 14.373 -1.041 -5.406 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.079 -0.610 -6.801 1.00 0.00 N ATOM 0 H LYS A 77 11.791 -1.948 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 77 11.005 -0.202 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.827 -3.079 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.102 -2.546 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.957 -0.533 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.770 -2.002 -2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.593 -2.985 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.377 -1.833 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.478 -0.163 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.327 -1.568 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.846 0.003 -7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.004 -1.447 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.181 -0.085 -6.820 1.00 0.00 H new ATOM 1193 N LEU A 78 8.661 -2.324 -1.693 1.00 0.00 N ATOM 1194 CA LEU A 78 7.254 -2.657 -1.883 1.00 0.00 C ATOM 1195 C LEU A 78 6.363 -1.458 -1.573 1.00 0.00 C ATOM 1196 O LEU A 78 5.564 -1.034 -2.407 1.00 0.00 O ATOM 1197 CB LEU A 78 6.865 -3.839 -0.993 1.00 0.00 C ATOM 1198 CG LEU A 78 5.396 -4.260 -1.040 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.850 -4.135 -2.453 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.233 -5.684 -0.527 1.00 0.00 C ATOM 0 H LEU A 78 9.101 -2.789 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 78 7.110 -2.933 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.477 -4.696 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.118 -3.591 0.038 1.00 0.00 H new ATOM 0 HG LEU A 78 4.826 -3.594 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.803 -4.439 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.932 -3.100 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.423 -4.777 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.181 -5.967 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.816 -6.364 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.585 -5.742 0.503 1.00 0.00 H new ATOM 1212 N VAL A 79 6.509 -0.915 -0.368 1.00 0.00 N ATOM 1213 CA VAL A 79 5.720 0.237 0.051 1.00 0.00 C ATOM 1214 C VAL A 79 5.922 1.415 -0.896 1.00 0.00 C ATOM 1215 O VAL A 79 5.014 2.218 -1.106 1.00 0.00 O ATOM 1216 CB VAL A 79 6.083 0.675 1.482 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.848 2.167 1.660 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.286 -0.124 2.502 1.00 0.00 C ATOM 0 H VAL A 79 7.166 -1.254 0.334 1.00 0.00 H new ATOM 0 HA VAL A 79 4.674 -0.070 0.027 1.00 0.00 H new ATOM 0 HB VAL A 79 7.142 0.476 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.110 2.458 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.467 2.720 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.798 2.394 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.555 0.199 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.221 0.041 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.510 -1.185 2.389 1.00 0.00 H new ATOM 1228 N ASN A 80 7.119 1.511 -1.465 1.00 0.00 N ATOM 1229 CA ASN A 80 7.441 2.591 -2.391 1.00 0.00 C ATOM 1230 C ASN A 80 6.527 2.552 -3.611 1.00 0.00 C ATOM 1231 O ASN A 80 6.013 3.582 -4.049 1.00 0.00 O ATOM 1232 CB ASN A 80 8.903 2.494 -2.831 1.00 0.00 C ATOM 1233 CG ASN A 80 9.043 2.220 -4.316 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.587 3.004 -5.149 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.675 1.102 -4.655 1.00 0.00 N ATOM 0 H ASN A 80 7.882 0.854 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 80 7.286 3.538 -1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.416 3.424 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.397 1.701 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.798 0.864 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.037 0.481 -3.931 1.00 0.00 H new ATOM 1242 N HIS A 81 6.328 1.356 -4.157 1.00 0.00 N ATOM 1243 CA HIS A 81 5.474 1.183 -5.327 1.00 0.00 C ATOM 1244 C HIS A 81 4.001 1.295 -4.946 1.00 0.00 C ATOM 1245 O HIS A 81 3.176 1.741 -5.745 1.00 0.00 O ATOM 1246 CB HIS A 81 5.741 -0.173 -5.983 1.00 0.00 C ATOM 1247 CG HIS A 81 4.697 -0.572 -6.979 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.384 0.188 -8.087 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.894 -1.660 -7.032 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.432 -0.415 -8.777 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.117 -1.538 -8.158 1.00 0.00 N ATOM 0 H HIS A 81 6.746 0.493 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 81 5.709 1.975 -6.038 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.711 -0.143 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.802 -0.937 -5.208 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.819 1.076 -8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.869 -2.473 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.987 -0.051 -9.692 1.00 0.00 H new ATOM 1259 N ILE A 82 3.678 0.888 -3.723 1.00 0.00 N ATOM 1260 CA ILE A 82 2.305 0.944 -3.238 1.00 0.00 C ATOM 1261 C ILE A 82 1.758 2.366 -3.299 1.00 0.00 C ATOM 1262 O ILE A 82 0.589 2.579 -3.621 1.00 0.00 O ATOM 1263 CB ILE A 82 2.198 0.427 -1.791 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.445 -1.083 -1.747 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.834 0.762 -1.208 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.782 -1.600 -0.366 1.00 0.00 C ATOM 0 H ILE A 82 4.348 0.516 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 82 1.713 0.301 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 82 2.960 0.920 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.557 -1.599 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.260 -1.330 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.774 0.390 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.693 1.843 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.056 0.294 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.944 -2.677 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.687 -1.111 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.958 -1.385 0.314 1.00 0.00 H new ATOM 1278 N ARG A 83 2.611 3.337 -2.988 1.00 0.00 N ATOM 1279 CA ARG A 83 2.214 4.739 -3.008 1.00 0.00 C ATOM 1280 C ARG A 83 1.570 5.103 -4.343 1.00 0.00 C ATOM 1281 O ARG A 83 0.514 5.735 -4.383 1.00 0.00 O ATOM 1282 CB ARG A 83 3.424 5.638 -2.751 1.00 0.00 C ATOM 1283 CG ARG A 83 4.299 5.168 -1.601 1.00 0.00 C ATOM 1284 CD ARG A 83 5.283 6.246 -1.172 1.00 0.00 C ATOM 1285 NE ARG A 83 5.467 6.274 0.276 1.00 0.00 N ATOM 1286 CZ ARG A 83 4.660 6.924 1.107 1.00 0.00 C ATOM 1287 NH1 ARG A 83 3.619 7.595 0.636 1.00 0.00 N ATOM 1288 NH2 ARG A 83 4.894 6.903 2.413 1.00 0.00 N ATOM 0 H ARG A 83 3.582 3.178 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 83 1.481 4.894 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.027 5.689 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.076 6.650 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.671 4.890 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.845 4.274 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.244 6.073 -1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.926 7.218 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 83 6.259 5.767 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.436 7.613 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.001 8.093 1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.694 6.387 2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.274 7.402 3.050 1.00 0.00 H new ATOM 1302 N VAL A 84 2.214 4.700 -5.434 1.00 0.00 N ATOM 1303 CA VAL A 84 1.705 4.982 -6.770 1.00 0.00 C ATOM 1304 C VAL A 84 0.221 4.648 -6.875 1.00 0.00 C ATOM 1305 O VAL A 84 -0.519 5.288 -7.623 1.00 0.00 O ATOM 1306 CB VAL A 84 2.476 4.191 -7.843 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.854 2.817 -8.042 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.510 4.964 -9.153 1.00 0.00 C ATOM 0 H VAL A 84 3.090 4.177 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 84 1.847 6.049 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 84 3.502 4.054 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.412 2.272 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.886 2.264 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.818 2.929 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.059 4.390 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.491 5.133 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.004 5.923 -8.997 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.208 3.641 -6.121 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.605 3.221 -6.128 1.00 0.00 C ATOM 1320 C HIS A 85 -2.449 4.129 -5.238 1.00 0.00 C ATOM 1321 O HIS A 85 -3.442 4.705 -5.684 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.726 1.772 -5.658 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.928 0.807 -6.480 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.492 1.088 -7.758 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.485 -0.441 -6.199 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.182 0.053 -8.228 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.202 -0.887 -7.301 1.00 0.00 N ATOM 0 H HIS A 85 0.392 3.101 -5.497 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.976 3.296 -7.150 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.401 1.707 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.775 1.477 -5.683 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.663 1.958 -8.262 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.643 -0.985 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.639 -0.013 -9.204 1.00 0.00 H new ATOM 1335 N THR A 86 -2.048 4.252 -3.976 1.00 0.00 N ATOM 1336 CA THR A 86 -2.769 5.087 -3.024 1.00 0.00 C ATOM 1337 C THR A 86 -3.076 6.458 -3.617 1.00 0.00 C ATOM 1338 O THR A 86 -4.136 7.029 -3.367 1.00 0.00 O ATOM 1339 CB THR A 86 -1.968 5.272 -1.721 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.623 5.660 -2.023 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.960 3.988 -0.904 1.00 0.00 C ATOM 0 H THR A 86 -1.228 3.784 -3.590 1.00 0.00 H new ATOM 0 HA THR A 86 -3.704 4.574 -2.798 1.00 0.00 H new ATOM 0 HB THR A 86 -2.448 6.055 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.499 5.683 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.389 4.143 0.011 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.983 3.712 -0.651 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.502 3.189 -1.487 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.141 6.979 -4.405 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.332 8.279 -5.022 1.00 0.00 C ATOM 1351 C GLY A 87 -1.535 9.370 -4.334 1.00 0.00 C ATOM 1352 O GLY A 87 -1.560 10.525 -4.757 1.00 0.00 O ATOM 0 H GLY A 87 -1.255 6.525 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.040 8.226 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.391 8.537 -4.998 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.827 9.003 -3.271 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.021 9.960 -2.522 1.00 0.00 C ATOM 1358 C GLU A 88 1.289 10.252 -3.247 1.00 0.00 C ATOM 1359 O GLU A 88 1.371 10.152 -4.472 1.00 0.00 O ATOM 1360 CB GLU A 88 0.268 9.429 -1.117 1.00 0.00 C ATOM 1361 CG GLU A 88 0.229 10.501 -0.041 1.00 0.00 C ATOM 1362 CD GLU A 88 0.472 11.892 -0.594 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.649 12.296 -0.689 1.00 0.00 O ATOM 1364 OE2 GLU A 88 -0.517 12.576 -0.933 1.00 0.00 O ATOM 0 H GLU A 88 -0.795 8.050 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.587 10.888 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.460 8.655 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.250 8.956 -1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.741 10.476 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.981 10.278 0.716 1.00 0.00 H new ATOM 1371 N LYS A 89 2.313 10.616 -2.482 1.00 0.00 N ATOM 1372 CA LYS A 89 3.621 10.922 -3.049 1.00 0.00 C ATOM 1373 C LYS A 89 4.115 9.779 -3.929 1.00 0.00 C ATOM 1374 O LYS A 89 3.378 8.831 -4.202 1.00 0.00 O ATOM 1375 CB LYS A 89 4.633 11.193 -1.933 1.00 0.00 C ATOM 1376 CG LYS A 89 4.907 12.670 -1.705 1.00 0.00 C ATOM 1377 CD LYS A 89 5.137 12.974 -0.235 1.00 0.00 C ATOM 1378 CE LYS A 89 6.616 12.935 0.119 1.00 0.00 C ATOM 1379 NZ LYS A 89 7.062 14.193 0.778 1.00 0.00 N ATOM 0 H LYS A 89 2.262 10.706 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 89 3.521 11.815 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.265 10.753 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.570 10.691 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.782 12.972 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.066 13.258 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.731 13.958 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.597 12.251 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.809 12.090 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.202 12.772 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.075 14.127 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.902 14.996 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.521 14.336 1.655 1.00 0.00 H new ATOM 1393 N SER A 90 5.365 9.874 -4.370 1.00 0.00 N ATOM 1394 CA SER A 90 5.955 8.849 -5.222 1.00 0.00 C ATOM 1395 C SER A 90 7.478 8.881 -5.136 1.00 0.00 C ATOM 1396 O SER A 90 8.089 9.949 -5.137 1.00 0.00 O ATOM 1397 CB SER A 90 5.512 9.044 -6.674 1.00 0.00 C ATOM 1398 OG SER A 90 4.822 7.903 -7.154 1.00 0.00 O ATOM 0 H SER A 90 5.989 10.651 -4.151 1.00 0.00 H new ATOM 0 HA SER A 90 5.608 7.877 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.867 9.920 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.383 9.237 -7.301 1.00 0.00 H new ATOM 0 HG SER A 90 4.548 8.053 -8.083 1.00 0.00 H new ATOM 1404 N GLY A 91 8.086 7.700 -5.060 1.00 0.00 N ATOM 1405 CA GLY A 91 9.532 7.614 -4.973 1.00 0.00 C ATOM 1406 C GLY A 91 10.113 8.607 -3.987 1.00 0.00 C ATOM 1407 O GLY A 91 9.414 9.142 -3.126 1.00 0.00 O ATOM 0 H GLY A 91 7.602 6.802 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.816 6.604 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.963 7.790 -5.958 1.00 0.00 H new ATOM 1411 N PRO A 92 11.424 8.866 -4.105 1.00 0.00 N ATOM 1412 CA PRO A 92 12.129 9.802 -3.224 1.00 0.00 C ATOM 1413 C PRO A 92 11.721 11.250 -3.472 1.00 0.00 C ATOM 1414 O PRO A 92 11.176 11.580 -4.525 1.00 0.00 O ATOM 1415 CB PRO A 92 13.601 9.591 -3.587 1.00 0.00 C ATOM 1416 CG PRO A 92 13.576 9.081 -4.987 1.00 0.00 C ATOM 1417 CD PRO A 92 12.319 8.265 -5.108 1.00 0.00 C ATOM 0 HA PRO A 92 11.905 9.620 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.164 10.522 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 92 14.076 8.877 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.578 9.904 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.457 8.474 -5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.896 8.325 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.503 7.211 -4.902 1.00 0.00 H new ATOM 1425 N SER A 93 11.989 12.111 -2.495 1.00 0.00 N ATOM 1426 CA SER A 93 11.647 13.524 -2.606 1.00 0.00 C ATOM 1427 C SER A 93 12.697 14.275 -3.419 1.00 0.00 C ATOM 1428 O SER A 93 13.365 15.175 -2.911 1.00 0.00 O ATOM 1429 CB SER A 93 11.518 14.150 -1.217 1.00 0.00 C ATOM 1430 OG SER A 93 11.309 15.549 -1.305 1.00 0.00 O ATOM 0 H SER A 93 12.442 11.854 -1.618 1.00 0.00 H new ATOM 0 HA SER A 93 10.690 13.601 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.688 13.688 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.420 13.950 -0.639 1.00 0.00 H new ATOM 0 HG SER A 93 12.051 15.960 -1.796 1.00 0.00 H new ATOM 1436 N SER A 94 12.837 13.897 -4.686 1.00 0.00 N ATOM 1437 CA SER A 94 13.808 14.531 -5.570 1.00 0.00 C ATOM 1438 C SER A 94 15.225 14.364 -5.029 1.00 0.00 C ATOM 1439 O SER A 94 15.441 13.699 -4.017 1.00 0.00 O ATOM 1440 CB SER A 94 13.486 16.018 -5.734 1.00 0.00 C ATOM 1441 OG SER A 94 14.517 16.689 -6.437 1.00 0.00 O ATOM 0 H SER A 94 12.290 13.155 -5.123 1.00 0.00 H new ATOM 0 HA SER A 94 13.748 14.044 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.543 16.132 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.353 16.475 -4.753 1.00 0.00 H new ATOM 0 HG SER A 94 14.286 17.637 -6.530 1.00 0.00 H new ATOM 1447 N GLY A 95 16.189 14.972 -5.714 1.00 0.00 N ATOM 1448 CA GLY A 95 17.573 14.879 -5.289 1.00 0.00 C ATOM 1449 C GLY A 95 18.124 13.472 -5.411 1.00 0.00 C ATOM 1450 O GLY A 95 18.781 13.170 -6.406 1.00 0.00 O ATOM 0 H GLY A 95 16.036 15.527 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.180 15.557 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.655 15.209 -4.253 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -6.268 -2.765 3.587 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.475 -2.552 -7.403 1.00 0.00 ZN