USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -80:sc= -1.82! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.73 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= 0.27 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 GLN : amide:sc= -2.8! C(o=-2.8!,f=-18!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -113:sc= -0.736 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 SER OG : rot 132:sc= 1.18 USER MOD Single : A 49 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.88) USER MOD Single : A 51 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.9!) USER MOD Single : A 57 MET CE :methyl -146:sc= -0.695 (180deg=-3.11!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0997 K(o=-0.1,f=-0.96) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.1!) USER MOD Single : A 73 ASN : amide:sc= -7.13! C(o=-7.1!,f=-9.4!) USER MOD Single : A 75 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.3!) USER MOD Single : A 76 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 35:sc= -0.26 USER MOD Single : A 81 TYR OH : rot 152:sc= 0.961 USER MOD Single : A 90 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.41) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.899 -20.896 -8.963 1.00 0.00 N ATOM 2 CA GLY A 1 27.663 -21.516 -9.410 1.00 0.00 C ATOM 3 C GLY A 1 26.540 -20.482 -9.520 1.00 0.00 C ATOM 4 O GLY A 1 25.824 -20.233 -8.551 1.00 0.00 O ATOM 0 H1 GLY A 1 29.645 -21.618 -8.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.186 -20.163 -9.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.752 -20.463 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.820 -21.992 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.372 -22.301 -8.712 1.00 0.00 H new ATOM 8 N SER A 2 26.422 -19.909 -10.708 1.00 0.00 N ATOM 9 CA SER A 2 25.398 -18.908 -10.957 1.00 0.00 C ATOM 10 C SER A 2 24.437 -19.401 -12.040 1.00 0.00 C ATOM 11 O SER A 2 24.837 -20.133 -12.944 1.00 0.00 O ATOM 12 CB SER A 2 26.022 -17.573 -11.369 1.00 0.00 C ATOM 13 OG SER A 2 25.929 -16.598 -10.333 1.00 0.00 O ATOM 0 H SER A 2 27.018 -20.118 -11.509 1.00 0.00 H new ATOM 0 HA SER A 2 24.843 -18.749 -10.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.069 -17.727 -11.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.523 -17.200 -12.264 1.00 0.00 H new ATOM 0 HG SER A 2 26.340 -15.761 -10.634 1.00 0.00 H new ATOM 19 N GLU A 3 23.187 -18.980 -11.913 1.00 0.00 N ATOM 20 CA GLU A 3 22.165 -19.369 -12.870 1.00 0.00 C ATOM 21 C GLU A 3 21.042 -18.330 -12.899 1.00 0.00 C ATOM 22 O GLU A 3 20.247 -18.243 -11.964 1.00 0.00 O ATOM 23 CB GLU A 3 21.616 -20.761 -12.550 1.00 0.00 C ATOM 24 CG GLU A 3 20.898 -21.359 -13.761 1.00 0.00 C ATOM 25 CD GLU A 3 21.802 -22.345 -14.503 1.00 0.00 C ATOM 26 OE1 GLU A 3 22.602 -21.865 -15.335 1.00 0.00 O ATOM 27 OE2 GLU A 3 21.672 -23.556 -14.222 1.00 0.00 O ATOM 0 H GLU A 3 22.859 -18.373 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 3 22.619 -19.412 -13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 3 22.432 -21.417 -12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.927 -20.699 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.990 -21.867 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.592 -20.561 -14.437 1.00 0.00 H new ATOM 34 N GLY A 4 21.012 -17.569 -13.983 1.00 0.00 N ATOM 35 CA GLY A 4 19.999 -16.540 -14.147 1.00 0.00 C ATOM 36 C GLY A 4 20.476 -15.205 -13.569 1.00 0.00 C ATOM 37 O GLY A 4 21.477 -15.155 -12.856 1.00 0.00 O ATOM 0 H GLY A 4 21.673 -17.644 -14.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.765 -16.420 -15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.079 -16.848 -13.650 1.00 0.00 H new ATOM 41 N ALA A 5 19.736 -14.157 -13.898 1.00 0.00 N ATOM 42 CA ALA A 5 20.070 -12.826 -13.421 1.00 0.00 C ATOM 43 C ALA A 5 19.761 -12.732 -11.926 1.00 0.00 C ATOM 44 O ALA A 5 18.719 -13.202 -11.473 1.00 0.00 O ATOM 45 CB ALA A 5 19.306 -11.783 -14.240 1.00 0.00 C ATOM 0 H ALA A 5 18.906 -14.202 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 5 21.134 -12.628 -13.551 1.00 0.00 H new ATOM 0 HB1 ALA A 5 19.557 -10.784 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 5 19.582 -11.872 -15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 5 18.234 -11.949 -14.131 1.00 0.00 H new ATOM 51 N ALA A 6 20.688 -12.123 -11.200 1.00 0.00 N ATOM 52 CA ALA A 6 20.528 -11.962 -9.765 1.00 0.00 C ATOM 53 C ALA A 6 19.668 -10.727 -9.487 1.00 0.00 C ATOM 54 O ALA A 6 20.193 -9.652 -9.202 1.00 0.00 O ATOM 55 CB ALA A 6 21.905 -11.875 -9.104 1.00 0.00 C ATOM 0 H ALA A 6 21.552 -11.735 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 6 20.015 -12.823 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 6 21.785 -11.754 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA A 6 22.464 -12.788 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 6 22.448 -11.020 -9.507 1.00 0.00 H new ATOM 61 N THR A 7 18.361 -10.923 -9.579 1.00 0.00 N ATOM 62 CA THR A 7 17.424 -9.838 -9.341 1.00 0.00 C ATOM 63 C THR A 7 16.495 -10.182 -8.175 1.00 0.00 C ATOM 64 O THR A 7 16.109 -11.338 -8.004 1.00 0.00 O ATOM 65 CB THR A 7 16.680 -9.561 -10.649 1.00 0.00 C ATOM 66 OG1 THR A 7 16.062 -10.805 -10.968 1.00 0.00 O ATOM 67 CG2 THR A 7 17.630 -9.305 -11.821 1.00 0.00 C ATOM 0 H THR A 7 17.929 -11.816 -9.815 1.00 0.00 H new ATOM 0 HA THR A 7 17.942 -8.926 -9.045 1.00 0.00 H new ATOM 0 HB THR A 7 16.025 -8.699 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.556 -10.715 -11.803 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.050 -9.114 -12.724 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.254 -8.439 -11.601 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.263 -10.179 -11.974 1.00 0.00 H new ATOM 75 N MET A 8 16.162 -9.158 -7.403 1.00 0.00 N ATOM 76 CA MET A 8 15.286 -9.337 -6.258 1.00 0.00 C ATOM 77 C MET A 8 14.348 -8.140 -6.093 1.00 0.00 C ATOM 78 O MET A 8 14.696 -7.019 -6.460 1.00 0.00 O ATOM 79 CB MET A 8 16.128 -9.505 -4.992 1.00 0.00 C ATOM 80 CG MET A 8 16.054 -10.942 -4.471 1.00 0.00 C ATOM 81 SD MET A 8 17.699 -11.578 -4.197 1.00 0.00 S ATOM 82 CE MET A 8 17.391 -13.326 -4.382 1.00 0.00 C ATOM 0 H MET A 8 16.483 -8.201 -7.548 1.00 0.00 H new ATOM 0 HA MET A 8 14.681 -10.228 -6.423 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.165 -9.244 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.776 -8.817 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.484 -10.972 -3.542 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.527 -11.571 -5.188 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.321 -13.876 -4.241 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.662 -13.648 -3.638 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.001 -13.523 -5.381 1.00 0.00 H new ATOM 92 N SER A 9 13.176 -8.419 -5.541 1.00 0.00 N ATOM 93 CA SER A 9 12.186 -7.378 -5.322 1.00 0.00 C ATOM 94 C SER A 9 11.066 -7.903 -4.421 1.00 0.00 C ATOM 95 O SER A 9 10.674 -9.064 -4.525 1.00 0.00 O ATOM 96 CB SER A 9 11.609 -6.879 -6.649 1.00 0.00 C ATOM 97 OG SER A 9 10.865 -7.891 -7.322 1.00 0.00 O ATOM 0 H SER A 9 12.890 -9.350 -5.239 1.00 0.00 H new ATOM 0 HA SER A 9 12.676 -6.538 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.966 -6.019 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.421 -6.538 -7.292 1.00 0.00 H new ATOM 0 HG SER A 9 10.512 -7.533 -8.163 1.00 0.00 H new ATOM 103 N GLY A 10 10.583 -7.022 -3.557 1.00 0.00 N ATOM 104 CA GLY A 10 9.516 -7.382 -2.639 1.00 0.00 C ATOM 105 C GLY A 10 8.579 -6.197 -2.396 1.00 0.00 C ATOM 106 O GLY A 10 8.819 -5.384 -1.504 1.00 0.00 O ATOM 0 H GLY A 10 10.911 -6.060 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.950 -8.221 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.942 -7.713 -1.692 1.00 0.00 H new ATOM 110 N LEU A 11 7.532 -6.136 -3.205 1.00 0.00 N ATOM 111 CA LEU A 11 6.557 -5.065 -3.089 1.00 0.00 C ATOM 112 C LEU A 11 5.686 -5.304 -1.854 1.00 0.00 C ATOM 113 O LEU A 11 5.106 -6.378 -1.698 1.00 0.00 O ATOM 114 CB LEU A 11 5.759 -4.923 -4.386 1.00 0.00 C ATOM 115 CG LEU A 11 5.721 -3.523 -5.001 1.00 0.00 C ATOM 116 CD1 LEU A 11 4.849 -2.582 -4.167 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.134 -2.971 -5.197 1.00 0.00 C ATOM 0 H LEU A 11 7.337 -6.811 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 11 7.059 -4.108 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.175 -5.610 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.734 -5.242 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 11 5.265 -3.596 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.839 -1.593 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.832 -2.972 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.254 -2.509 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.078 -1.975 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.640 -2.915 -4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.693 -3.629 -5.862 1.00 0.00 H new ATOM 129 N ARG A 12 5.623 -4.287 -1.007 1.00 0.00 N ATOM 130 CA ARG A 12 4.833 -4.374 0.209 1.00 0.00 C ATOM 131 C ARG A 12 3.965 -3.124 0.368 1.00 0.00 C ATOM 132 O ARG A 12 4.472 -2.003 0.330 1.00 0.00 O ATOM 133 CB ARG A 12 5.730 -4.524 1.439 1.00 0.00 C ATOM 134 CG ARG A 12 6.574 -5.797 1.350 1.00 0.00 C ATOM 135 CD ARG A 12 6.495 -6.600 2.650 1.00 0.00 C ATOM 136 NE ARG A 12 7.854 -6.821 3.191 1.00 0.00 N ATOM 137 CZ ARG A 12 8.123 -7.593 4.254 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.128 -8.221 4.895 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.387 -7.736 4.675 1.00 0.00 N ATOM 0 H ARG A 12 6.106 -3.399 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 12 4.196 -5.255 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.383 -3.656 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.117 -4.552 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.227 -6.410 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.612 -5.536 1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.886 -6.067 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.007 -7.557 2.467 1.00 0.00 H new ATOM 0 HE ARG A 12 8.635 -6.357 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.166 -8.112 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.333 -8.808 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.144 -7.258 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.592 -8.323 5.484 1.00 0.00 H new ATOM 153 N VAL A 13 2.673 -3.357 0.544 1.00 0.00 N ATOM 154 CA VAL A 13 1.730 -2.264 0.709 1.00 0.00 C ATOM 155 C VAL A 13 1.150 -2.306 2.125 1.00 0.00 C ATOM 156 O VAL A 13 0.239 -3.084 2.403 1.00 0.00 O ATOM 157 CB VAL A 13 0.657 -2.329 -0.379 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.427 -1.275 -0.143 1.00 0.00 C ATOM 159 CG2 VAL A 13 1.276 -2.177 -1.770 1.00 0.00 C ATOM 0 H VAL A 13 2.257 -4.288 0.576 1.00 0.00 H new ATOM 0 HA VAL A 13 2.234 -1.304 0.592 1.00 0.00 H new ATOM 0 HB VAL A 13 0.187 -3.311 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.178 -1.342 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.899 -1.449 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.022 -0.282 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.491 -2.227 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.785 -1.216 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.993 -2.980 -1.939 1.00 0.00 H new ATOM 169 N TYR A 14 1.703 -1.460 2.982 1.00 0.00 N ATOM 170 CA TYR A 14 1.252 -1.391 4.361 1.00 0.00 C ATOM 171 C TYR A 14 -0.070 -0.627 4.468 1.00 0.00 C ATOM 172 O TYR A 14 -0.080 0.602 4.494 1.00 0.00 O ATOM 173 CB TYR A 14 2.334 -0.622 5.121 1.00 0.00 C ATOM 174 CG TYR A 14 3.613 -1.426 5.365 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.524 -1.602 4.343 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.856 -1.975 6.608 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.727 -2.359 4.573 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.059 -2.732 6.838 1.00 0.00 C ATOM 179 CZ TYR A 14 5.936 -2.886 5.809 1.00 0.00 C ATOM 180 OH TYR A 14 7.072 -3.601 6.026 1.00 0.00 O ATOM 0 H TYR A 14 2.459 -0.817 2.748 1.00 0.00 H new ATOM 0 HA TYR A 14 1.090 -2.392 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.585 0.280 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.930 -0.300 6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.334 -1.172 3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.144 -1.837 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.447 -2.505 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.261 -3.168 7.805 1.00 0.00 H new ATOM 0 HH TYR A 14 7.088 -3.916 6.954 1.00 0.00 H new ATOM 190 N SER A 15 -1.153 -1.388 4.529 1.00 0.00 N ATOM 191 CA SER A 15 -2.477 -0.798 4.632 1.00 0.00 C ATOM 192 C SER A 15 -3.211 -1.371 5.847 1.00 0.00 C ATOM 193 O SER A 15 -3.003 -2.526 6.214 1.00 0.00 O ATOM 194 CB SER A 15 -3.289 -1.040 3.359 1.00 0.00 C ATOM 195 OG SER A 15 -2.457 -1.136 2.205 1.00 0.00 O ATOM 0 H SER A 15 -1.141 -2.408 4.509 1.00 0.00 H new ATOM 0 HA SER A 15 -2.363 0.279 4.758 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.867 -1.958 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.003 -0.228 3.225 1.00 0.00 H new ATOM 0 HG SER A 15 -2.209 -0.237 1.905 1.00 0.00 H new ATOM 201 N THR A 16 -4.054 -0.536 6.436 1.00 0.00 N ATOM 202 CA THR A 16 -4.820 -0.944 7.601 1.00 0.00 C ATOM 203 C THR A 16 -6.212 -1.423 7.184 1.00 0.00 C ATOM 204 O THR A 16 -6.885 -0.767 6.390 1.00 0.00 O ATOM 205 CB THR A 16 -4.850 0.229 8.583 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.606 -0.260 9.686 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.673 1.409 8.060 1.00 0.00 C ATOM 0 H THR A 16 -4.223 0.422 6.128 1.00 0.00 H new ATOM 0 HA THR A 16 -4.355 -1.793 8.101 1.00 0.00 H new ATOM 0 HB THR A 16 -3.831 0.559 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.673 0.437 10.371 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.662 2.214 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.243 1.766 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.701 1.088 7.889 1.00 0.00 H new ATOM 215 N SER A 17 -6.602 -2.561 7.737 1.00 0.00 N ATOM 216 CA SER A 17 -7.901 -3.135 7.432 1.00 0.00 C ATOM 217 C SER A 17 -8.999 -2.365 8.168 1.00 0.00 C ATOM 218 O SER A 17 -9.913 -1.830 7.542 1.00 0.00 O ATOM 219 CB SER A 17 -7.951 -4.618 7.807 1.00 0.00 C ATOM 220 OG SER A 17 -7.439 -5.448 6.769 1.00 0.00 O ATOM 0 H SER A 17 -6.041 -3.102 8.395 1.00 0.00 H new ATOM 0 HA SER A 17 -8.066 -3.054 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.376 -4.781 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.981 -4.903 8.024 1.00 0.00 H new ATOM 0 HG SER A 17 -7.486 -6.386 7.047 1.00 0.00 H new ATOM 226 N VAL A 18 -8.873 -2.332 9.487 1.00 0.00 N ATOM 227 CA VAL A 18 -9.844 -1.636 10.314 1.00 0.00 C ATOM 228 C VAL A 18 -9.324 -0.233 10.631 1.00 0.00 C ATOM 229 O VAL A 18 -8.284 -0.081 11.270 1.00 0.00 O ATOM 230 CB VAL A 18 -10.147 -2.458 11.569 1.00 0.00 C ATOM 231 CG1 VAL A 18 -11.033 -1.673 12.538 1.00 0.00 C ATOM 232 CG2 VAL A 18 -10.788 -3.799 11.204 1.00 0.00 C ATOM 0 H VAL A 18 -8.113 -2.776 10.003 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.788 -1.521 9.781 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.202 -2.664 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.233 -2.280 13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.524 -0.756 12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.974 -1.423 12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.993 -4.364 12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.721 -3.623 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.107 -4.367 10.570 1.00 0.00 H new ATOM 242 N THR A 19 -10.072 0.759 10.169 1.00 0.00 N ATOM 243 CA THR A 19 -9.699 2.145 10.395 1.00 0.00 C ATOM 244 C THR A 19 -10.909 3.061 10.198 1.00 0.00 C ATOM 245 O THR A 19 -11.736 2.822 9.320 1.00 0.00 O ATOM 246 CB THR A 19 -8.528 2.477 9.469 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.357 3.884 9.616 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.881 2.297 7.991 1.00 0.00 C ATOM 0 H THR A 19 -10.934 0.630 9.639 1.00 0.00 H new ATOM 0 HA THR A 19 -9.374 2.305 11.423 1.00 0.00 H new ATOM 0 HB THR A 19 -7.677 1.843 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.615 4.184 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.015 2.546 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.169 1.262 7.809 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.710 2.955 7.732 1.00 0.00 H new ATOM 256 N GLY A 20 -10.973 4.091 11.029 1.00 0.00 N ATOM 257 CA GLY A 20 -12.067 5.044 10.957 1.00 0.00 C ATOM 258 C GLY A 20 -11.671 6.272 10.136 1.00 0.00 C ATOM 259 O GLY A 20 -11.664 7.390 10.648 1.00 0.00 O ATOM 0 H GLY A 20 -10.285 4.286 11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.939 4.568 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.353 5.351 11.963 1.00 0.00 H new ATOM 263 N SER A 21 -11.352 6.023 8.874 1.00 0.00 N ATOM 264 CA SER A 21 -10.956 7.095 7.976 1.00 0.00 C ATOM 265 C SER A 21 -11.154 6.660 6.523 1.00 0.00 C ATOM 266 O SER A 21 -10.210 6.216 5.870 1.00 0.00 O ATOM 267 CB SER A 21 -9.501 7.504 8.215 1.00 0.00 C ATOM 268 OG SER A 21 -9.273 8.873 7.896 1.00 0.00 O ATOM 0 H SER A 21 -11.360 5.094 8.452 1.00 0.00 H new ATOM 0 HA SER A 21 -11.586 7.961 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.241 7.327 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.844 6.877 7.612 1.00 0.00 H new ATOM 0 HG SER A 21 -8.333 9.096 8.063 1.00 0.00 H new ATOM 274 N ARG A 22 -12.386 6.802 6.058 1.00 0.00 N ATOM 275 CA ARG A 22 -12.720 6.429 4.694 1.00 0.00 C ATOM 276 C ARG A 22 -11.627 6.901 3.733 1.00 0.00 C ATOM 277 O ARG A 22 -11.205 6.153 2.852 1.00 0.00 O ATOM 278 CB ARG A 22 -14.059 7.034 4.270 1.00 0.00 C ATOM 279 CG ARG A 22 -15.221 6.371 5.013 1.00 0.00 C ATOM 280 CD ARG A 22 -16.561 6.965 4.575 1.00 0.00 C ATOM 281 NE ARG A 22 -17.404 7.240 5.760 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.123 8.173 6.681 1.00 0.00 C ATOM 283 NH1 ARG A 22 -16.020 8.925 6.558 1.00 0.00 N ATOM 284 NH2 ARG A 22 -17.945 8.354 7.724 1.00 0.00 N ATOM 0 H ARG A 22 -13.166 7.171 6.602 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.798 5.342 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.058 8.105 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.193 6.912 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.215 5.298 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.094 6.504 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.395 7.885 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.074 6.273 3.906 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.251 6.685 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.395 8.787 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.806 9.635 7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.784 7.782 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.731 9.064 8.425 1.00 0.00 H new ATOM 298 N GLU A 23 -11.200 8.139 3.935 1.00 0.00 N ATOM 299 CA GLU A 23 -10.164 8.719 3.097 1.00 0.00 C ATOM 300 C GLU A 23 -8.978 7.761 2.979 1.00 0.00 C ATOM 301 O GLU A 23 -8.573 7.401 1.875 1.00 0.00 O ATOM 302 CB GLU A 23 -9.719 10.079 3.638 1.00 0.00 C ATOM 303 CG GLU A 23 -10.664 11.190 3.174 1.00 0.00 C ATOM 304 CD GLU A 23 -11.455 11.764 4.352 1.00 0.00 C ATOM 305 OE1 GLU A 23 -10.911 12.677 5.009 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.586 11.277 4.567 1.00 0.00 O ATOM 0 H GLU A 23 -11.552 8.756 4.666 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.577 8.878 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.693 10.050 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.705 10.295 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.091 11.984 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.352 10.798 2.425 1.00 0.00 H new ATOM 313 N ILE A 24 -8.453 7.375 4.133 1.00 0.00 N ATOM 314 CA ILE A 24 -7.320 6.466 4.173 1.00 0.00 C ATOM 315 C ILE A 24 -7.637 5.227 3.333 1.00 0.00 C ATOM 316 O ILE A 24 -6.950 4.946 2.352 1.00 0.00 O ATOM 317 CB ILE A 24 -6.940 6.147 5.621 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.315 7.364 6.304 1.00 0.00 C ATOM 319 CG2 ILE A 24 -6.030 4.919 5.691 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.069 7.092 7.790 1.00 0.00 C ATOM 0 H ILE A 24 -8.791 7.675 5.047 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.440 6.934 3.733 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.851 5.904 6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.374 7.616 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.973 8.226 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.775 4.714 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.548 4.058 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.118 5.109 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.624 7.973 8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.016 6.864 8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.392 6.245 7.898 1.00 0.00 H new ATOM 332 N LYS A 25 -8.676 4.519 3.749 1.00 0.00 N ATOM 333 CA LYS A 25 -9.092 3.317 3.047 1.00 0.00 C ATOM 334 C LYS A 25 -8.982 3.548 1.539 1.00 0.00 C ATOM 335 O LYS A 25 -8.230 2.856 0.854 1.00 0.00 O ATOM 336 CB LYS A 25 -10.488 2.886 3.503 1.00 0.00 C ATOM 337 CG LYS A 25 -10.408 1.695 4.461 1.00 0.00 C ATOM 338 CD LYS A 25 -11.748 0.959 4.533 1.00 0.00 C ATOM 339 CE LYS A 25 -12.710 1.664 5.490 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.556 1.135 6.863 1.00 0.00 N ATOM 0 H LYS A 25 -9.243 4.755 4.564 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.431 2.485 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.988 3.720 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.092 2.620 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.629 1.008 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.125 2.041 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.192 0.906 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.586 -0.067 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.517 2.737 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.737 1.522 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.449 0.699 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.800 0.421 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.311 1.912 7.509 1.00 0.00 H new ATOM 354 N SER A 26 -9.742 4.524 1.065 1.00 0.00 N ATOM 355 CA SER A 26 -9.739 4.856 -0.350 1.00 0.00 C ATOM 356 C SER A 26 -8.317 4.764 -0.906 1.00 0.00 C ATOM 357 O SER A 26 -8.071 4.050 -1.877 1.00 0.00 O ATOM 358 CB SER A 26 -10.314 6.253 -0.589 1.00 0.00 C ATOM 359 OG SER A 26 -11.502 6.215 -1.375 1.00 0.00 O ATOM 0 H SER A 26 -10.364 5.096 1.636 1.00 0.00 H new ATOM 0 HA SER A 26 -10.373 4.138 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.529 6.725 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.568 6.871 -1.089 1.00 0.00 H new ATOM 0 HG SER A 26 -11.839 7.126 -1.503 1.00 0.00 H new ATOM 365 N GLN A 27 -7.417 5.497 -0.266 1.00 0.00 N ATOM 366 CA GLN A 27 -6.026 5.508 -0.685 1.00 0.00 C ATOM 367 C GLN A 27 -5.485 4.079 -0.765 1.00 0.00 C ATOM 368 O GLN A 27 -4.781 3.730 -1.711 1.00 0.00 O ATOM 369 CB GLN A 27 -5.176 6.364 0.257 1.00 0.00 C ATOM 370 CG GLN A 27 -5.496 7.850 0.085 1.00 0.00 C ATOM 371 CD GLN A 27 -5.260 8.616 1.389 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.507 8.201 2.255 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.944 9.753 1.480 1.00 0.00 N ATOM 0 H GLN A 27 -7.624 6.087 0.540 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.969 5.954 -1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.359 6.066 1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.119 6.190 0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.874 8.270 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.533 7.969 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.557 10.042 0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.855 10.336 2.312 1.00 0.00 H new ATOM 382 N GLN A 28 -5.835 3.290 0.241 1.00 0.00 N ATOM 383 CA GLN A 28 -5.393 1.907 0.296 1.00 0.00 C ATOM 384 C GLN A 28 -6.034 1.100 -0.834 1.00 0.00 C ATOM 385 O GLN A 28 -5.375 0.272 -1.461 1.00 0.00 O ATOM 386 CB GLN A 28 -5.706 1.286 1.659 1.00 0.00 C ATOM 387 CG GLN A 28 -5.232 2.192 2.797 1.00 0.00 C ATOM 388 CD GLN A 28 -5.380 1.495 4.151 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.477 1.480 4.972 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.565 0.920 4.337 1.00 0.00 N ATOM 0 H GLN A 28 -6.419 3.582 1.024 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.311 1.886 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.779 1.117 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.222 0.313 1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.189 2.467 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.809 3.117 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.276 0.971 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.762 0.429 5.209 1.00 0.00 H new ATOM 399 N SER A 29 -7.311 1.369 -1.061 1.00 0.00 N ATOM 400 CA SER A 29 -8.048 0.678 -2.105 1.00 0.00 C ATOM 401 C SER A 29 -7.543 1.119 -3.481 1.00 0.00 C ATOM 402 O SER A 29 -7.372 0.293 -4.377 1.00 0.00 O ATOM 403 CB SER A 29 -9.551 0.938 -1.983 1.00 0.00 C ATOM 404 OG SER A 29 -10.259 -0.219 -1.546 1.00 0.00 O ATOM 0 H SER A 29 -7.855 2.057 -0.539 1.00 0.00 H new ATOM 0 HA SER A 29 -7.882 -0.393 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.722 1.754 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.943 1.260 -2.948 1.00 0.00 H new ATOM 0 HG SER A 29 -11.215 -0.012 -1.479 1.00 0.00 H new ATOM 410 N GLU A 30 -7.319 2.418 -3.605 1.00 0.00 N ATOM 411 CA GLU A 30 -6.837 2.979 -4.856 1.00 0.00 C ATOM 412 C GLU A 30 -5.493 2.353 -5.236 1.00 0.00 C ATOM 413 O GLU A 30 -5.397 1.636 -6.231 1.00 0.00 O ATOM 414 CB GLU A 30 -6.727 4.502 -4.769 1.00 0.00 C ATOM 415 CG GLU A 30 -7.877 5.179 -5.517 1.00 0.00 C ATOM 416 CD GLU A 30 -7.359 5.968 -6.721 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.230 5.344 -7.796 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.103 7.178 -6.539 1.00 0.00 O ATOM 0 H GLU A 30 -7.462 3.099 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.559 2.744 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.736 4.812 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.775 4.826 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.591 4.426 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.411 5.848 -4.842 1.00 0.00 H new ATOM 425 N VAL A 31 -4.489 2.646 -4.422 1.00 0.00 N ATOM 426 CA VAL A 31 -3.156 2.121 -4.660 1.00 0.00 C ATOM 427 C VAL A 31 -3.260 0.670 -5.133 1.00 0.00 C ATOM 428 O VAL A 31 -2.765 0.326 -6.205 1.00 0.00 O ATOM 429 CB VAL A 31 -2.299 2.279 -3.402 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.921 1.643 -3.593 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.173 3.752 -3.006 1.00 0.00 C ATOM 0 H VAL A 31 -4.573 3.240 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.659 2.685 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.800 1.755 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.333 1.770 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.037 0.580 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.410 2.125 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.559 3.836 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.706 4.309 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.164 4.161 -2.808 1.00 0.00 H new ATOM 441 N THR A 32 -3.908 -0.142 -4.310 1.00 0.00 N ATOM 442 CA THR A 32 -4.083 -1.548 -4.631 1.00 0.00 C ATOM 443 C THR A 32 -4.751 -1.704 -5.999 1.00 0.00 C ATOM 444 O THR A 32 -4.346 -2.545 -6.800 1.00 0.00 O ATOM 445 CB THR A 32 -4.872 -2.198 -3.492 1.00 0.00 C ATOM 446 OG1 THR A 32 -5.963 -1.308 -3.274 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.108 -2.183 -2.167 1.00 0.00 C ATOM 0 H THR A 32 -4.318 0.147 -3.422 1.00 0.00 H new ATOM 0 HA THR A 32 -3.123 -2.057 -4.713 1.00 0.00 H new ATOM 0 HB THR A 32 -5.114 -3.227 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.876 -0.894 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.712 -2.656 -1.393 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.172 -2.729 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.895 -1.153 -1.882 1.00 0.00 H new ATOM 455 N ARG A 33 -5.763 -0.879 -6.225 1.00 0.00 N ATOM 456 CA ARG A 33 -6.491 -0.915 -7.482 1.00 0.00 C ATOM 457 C ARG A 33 -5.527 -0.747 -8.658 1.00 0.00 C ATOM 458 O ARG A 33 -5.510 -1.569 -9.573 1.00 0.00 O ATOM 459 CB ARG A 33 -7.549 0.190 -7.537 1.00 0.00 C ATOM 460 CG ARG A 33 -8.809 -0.294 -8.258 1.00 0.00 C ATOM 461 CD ARG A 33 -9.775 0.866 -8.511 1.00 0.00 C ATOM 462 NE ARG A 33 -9.334 1.642 -9.691 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.632 1.319 -10.957 1.00 0.00 C ATOM 464 NH1 ARG A 33 -10.373 0.232 -11.214 1.00 0.00 N ATOM 465 NH2 ARG A 33 -9.190 2.082 -11.965 1.00 0.00 N ATOM 0 H ARG A 33 -6.096 -0.182 -5.559 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.988 -1.883 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.803 0.506 -6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.144 1.062 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.535 -0.757 -9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.303 -1.060 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.782 0.483 -8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.817 1.513 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.768 2.475 -9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.710 -0.349 -10.446 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.600 -0.014 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.626 2.909 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.417 1.836 -12.928 1.00 0.00 H new ATOM 479 N ILE A 34 -4.748 0.323 -8.596 1.00 0.00 N ATOM 480 CA ILE A 34 -3.783 0.608 -9.644 1.00 0.00 C ATOM 481 C ILE A 34 -2.807 -0.563 -9.765 1.00 0.00 C ATOM 482 O ILE A 34 -2.595 -1.089 -10.857 1.00 0.00 O ATOM 483 CB ILE A 34 -3.101 1.955 -9.392 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.134 3.073 -9.244 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.076 2.263 -10.485 1.00 0.00 C ATOM 486 CD1 ILE A 34 -3.988 3.779 -7.894 1.00 0.00 C ATOM 0 H ILE A 34 -4.766 1.003 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.284 0.706 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.558 1.892 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.012 3.795 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.138 2.660 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.606 3.225 -10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.315 1.483 -10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.576 2.300 -11.453 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.734 4.570 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.135 3.059 -7.089 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.991 4.212 -7.816 1.00 0.00 H new ATOM 498 N LEU A 35 -2.237 -0.937 -8.629 1.00 0.00 N ATOM 499 CA LEU A 35 -1.287 -2.036 -8.595 1.00 0.00 C ATOM 500 C LEU A 35 -1.924 -3.274 -9.228 1.00 0.00 C ATOM 501 O LEU A 35 -1.262 -4.015 -9.953 1.00 0.00 O ATOM 502 CB LEU A 35 -0.784 -2.264 -7.168 1.00 0.00 C ATOM 503 CG LEU A 35 0.267 -1.275 -6.661 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.624 -1.554 -5.199 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.503 -1.278 -7.563 1.00 0.00 C ATOM 0 H LEU A 35 -2.415 -0.499 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.403 -1.795 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.639 -2.232 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.367 -3.269 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.160 -0.273 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.373 -0.837 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.270 -1.460 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.023 -2.564 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.235 -0.566 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.941 -2.276 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.215 -0.994 -8.575 1.00 0.00 H new ATOM 517 N ASP A 36 -3.201 -3.461 -8.930 1.00 0.00 N ATOM 518 CA ASP A 36 -3.935 -4.598 -9.461 1.00 0.00 C ATOM 519 C ASP A 36 -4.066 -4.451 -10.978 1.00 0.00 C ATOM 520 O ASP A 36 -3.843 -5.406 -11.720 1.00 0.00 O ATOM 521 CB ASP A 36 -5.344 -4.669 -8.870 1.00 0.00 C ATOM 522 CG ASP A 36 -5.940 -6.075 -8.784 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.600 -6.777 -7.807 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.721 -6.418 -9.698 1.00 0.00 O ATOM 0 H ASP A 36 -3.747 -2.845 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.388 -5.504 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.324 -4.238 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.006 -4.047 -9.472 1.00 0.00 H new ATOM 529 N GLY A 37 -4.427 -3.246 -11.395 1.00 0.00 N ATOM 530 CA GLY A 37 -4.590 -2.961 -12.811 1.00 0.00 C ATOM 531 C GLY A 37 -3.252 -3.051 -13.546 1.00 0.00 C ATOM 532 O GLY A 37 -3.186 -3.557 -14.665 1.00 0.00 O ATOM 0 H GLY A 37 -4.611 -2.456 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.297 -3.666 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.013 -1.964 -12.939 1.00 0.00 H new ATOM 536 N LYS A 38 -2.217 -2.551 -12.887 1.00 0.00 N ATOM 537 CA LYS A 38 -0.883 -2.568 -13.464 1.00 0.00 C ATOM 538 C LYS A 38 -0.362 -4.006 -13.490 1.00 0.00 C ATOM 539 O LYS A 38 0.682 -4.281 -14.079 1.00 0.00 O ATOM 540 CB LYS A 38 0.034 -1.594 -12.721 1.00 0.00 C ATOM 541 CG LYS A 38 -0.479 -0.158 -12.841 1.00 0.00 C ATOM 542 CD LYS A 38 0.541 0.730 -13.557 1.00 0.00 C ATOM 543 CE LYS A 38 0.141 2.205 -13.468 1.00 0.00 C ATOM 544 NZ LYS A 38 0.022 2.792 -14.821 1.00 0.00 N ATOM 0 H LYS A 38 -2.275 -2.132 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.909 -2.220 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.094 -1.876 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.044 -1.658 -13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.422 -0.149 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.683 0.243 -11.848 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.526 0.589 -13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.617 0.432 -14.603 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.808 2.299 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.884 2.755 -12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.250 3.793 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.936 2.719 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.703 2.277 -15.360 1.00 0.00 H new ATOM 558 N ARG A 39 -1.113 -4.886 -12.843 1.00 0.00 N ATOM 559 CA ARG A 39 -0.739 -6.289 -12.785 1.00 0.00 C ATOM 560 C ARG A 39 0.590 -6.454 -12.045 1.00 0.00 C ATOM 561 O ARG A 39 1.369 -7.354 -12.354 1.00 0.00 O ATOM 562 CB ARG A 39 -0.611 -6.884 -14.189 1.00 0.00 C ATOM 563 CG ARG A 39 -1.977 -6.979 -14.871 1.00 0.00 C ATOM 564 CD ARG A 39 -1.990 -6.195 -16.184 1.00 0.00 C ATOM 565 NE ARG A 39 -1.921 -7.127 -17.331 1.00 0.00 N ATOM 566 CZ ARG A 39 -1.480 -6.788 -18.550 1.00 0.00 C ATOM 567 NH1 ARG A 39 -1.066 -5.535 -18.788 1.00 0.00 N ATOM 568 NH2 ARG A 39 -1.452 -7.700 -19.531 1.00 0.00 N ATOM 0 H ARG A 39 -1.978 -4.654 -12.355 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.526 -6.820 -12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.057 -6.267 -14.790 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.161 -7.875 -14.128 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.219 -8.024 -15.065 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.748 -6.592 -14.205 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.896 -5.593 -16.248 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.146 -5.506 -16.214 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.229 -8.088 -17.185 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.087 -4.840 -18.041 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.730 -5.276 -19.716 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.767 -8.653 -19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.116 -7.441 -20.459 1.00 0.00 H new ATOM 582 N ILE A 40 0.808 -5.571 -11.082 1.00 0.00 N ATOM 583 CA ILE A 40 2.030 -5.607 -10.296 1.00 0.00 C ATOM 584 C ILE A 40 1.860 -6.600 -9.144 1.00 0.00 C ATOM 585 O ILE A 40 0.758 -6.772 -8.625 1.00 0.00 O ATOM 586 CB ILE A 40 2.417 -4.198 -9.842 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.896 -3.354 -11.024 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.453 -4.250 -8.717 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.903 -1.866 -10.668 1.00 0.00 C ATOM 0 H ILE A 40 0.159 -4.826 -10.828 1.00 0.00 H new ATOM 0 HA ILE A 40 2.864 -5.961 -10.903 1.00 0.00 H new ATOM 0 HB ILE A 40 1.528 -3.712 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.899 -3.666 -11.316 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.247 -3.523 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.711 -3.236 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.039 -4.790 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.348 -4.762 -9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.248 -1.288 -11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.894 -1.551 -10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.572 -1.697 -9.824 1.00 0.00 H new ATOM 601 N GLN A 41 2.968 -7.227 -8.777 1.00 0.00 N ATOM 602 CA GLN A 41 2.955 -8.197 -7.696 1.00 0.00 C ATOM 603 C GLN A 41 3.455 -7.555 -6.400 1.00 0.00 C ATOM 604 O GLN A 41 4.555 -7.007 -6.359 1.00 0.00 O ATOM 605 CB GLN A 41 3.790 -9.428 -8.055 1.00 0.00 C ATOM 606 CG GLN A 41 4.481 -10.002 -6.816 1.00 0.00 C ATOM 607 CD GLN A 41 5.184 -11.322 -7.142 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.421 -11.661 -8.290 1.00 0.00 O ATOM 609 NE2 GLN A 41 5.503 -12.044 -6.072 1.00 0.00 N ATOM 0 H GLN A 41 3.880 -7.082 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 41 1.928 -8.527 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.150 -10.188 -8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.538 -9.160 -8.801 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.207 -9.284 -6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.746 -10.162 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.275 -11.701 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.976 -12.941 -6.184 1.00 0.00 H new ATOM 618 N TYR A 42 2.622 -7.645 -5.373 1.00 0.00 N ATOM 619 CA TYR A 42 2.965 -7.079 -4.080 1.00 0.00 C ATOM 620 C TYR A 42 2.335 -7.887 -2.944 1.00 0.00 C ATOM 621 O TYR A 42 1.722 -8.927 -3.182 1.00 0.00 O ATOM 622 CB TYR A 42 2.381 -5.665 -4.069 1.00 0.00 C ATOM 623 CG TYR A 42 0.852 -5.624 -4.102 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.131 -5.817 -2.942 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.193 -5.393 -5.293 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.308 -5.778 -2.973 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.246 -5.353 -5.324 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.925 -5.548 -4.163 1.00 0.00 C ATOM 629 OH TYR A 42 -3.285 -5.511 -4.192 1.00 0.00 O ATOM 0 H TYR A 42 1.711 -8.101 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 42 4.045 -7.086 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.729 -5.146 -3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.768 -5.116 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.646 -5.997 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.757 -5.242 -6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.884 -5.928 -2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.774 -5.172 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.588 -5.337 -5.108 1.00 0.00 H new ATOM 639 N GLN A 43 2.507 -7.378 -1.732 1.00 0.00 N ATOM 640 CA GLN A 43 1.963 -8.040 -0.559 1.00 0.00 C ATOM 641 C GLN A 43 1.315 -7.015 0.375 1.00 0.00 C ATOM 642 O GLN A 43 1.988 -6.121 0.885 1.00 0.00 O ATOM 643 CB GLN A 43 3.044 -8.839 0.171 1.00 0.00 C ATOM 644 CG GLN A 43 2.422 -9.905 1.076 1.00 0.00 C ATOM 645 CD GLN A 43 3.499 -10.808 1.680 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.671 -10.722 1.355 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.036 -11.676 2.576 1.00 0.00 N ATOM 0 H GLN A 43 3.015 -6.515 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 43 1.196 -8.743 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.703 -9.314 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.659 -8.165 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.856 -9.424 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.717 -10.507 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.041 -11.694 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.676 -12.323 3.037 1.00 0.00 H new ATOM 656 N LEU A 44 0.015 -7.180 0.571 1.00 0.00 N ATOM 657 CA LEU A 44 -0.732 -6.281 1.434 1.00 0.00 C ATOM 658 C LEU A 44 -0.375 -6.569 2.894 1.00 0.00 C ATOM 659 O LEU A 44 -0.684 -7.641 3.413 1.00 0.00 O ATOM 660 CB LEU A 44 -2.230 -6.374 1.138 1.00 0.00 C ATOM 661 CG LEU A 44 -2.955 -5.044 0.924 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.417 -4.898 -0.527 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.113 -4.886 1.912 1.00 0.00 C ATOM 0 H LEU A 44 -0.540 -7.923 0.147 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.455 -5.246 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.367 -6.987 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.711 -6.899 1.963 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.250 -4.236 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.929 -3.944 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.552 -4.935 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.099 -5.711 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.612 -3.932 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.825 -5.699 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.728 -4.914 2.931 1.00 0.00 H new ATOM 675 N VAL A 45 0.271 -5.593 3.516 1.00 0.00 N ATOM 676 CA VAL A 45 0.673 -5.728 4.905 1.00 0.00 C ATOM 677 C VAL A 45 -0.364 -5.046 5.800 1.00 0.00 C ATOM 678 O VAL A 45 -0.522 -3.828 5.755 1.00 0.00 O ATOM 679 CB VAL A 45 2.086 -5.174 5.098 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.437 -5.070 6.583 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.115 -6.024 4.349 1.00 0.00 C ATOM 0 H VAL A 45 0.526 -4.705 3.083 1.00 0.00 H new ATOM 0 HA VAL A 45 0.709 -6.779 5.191 1.00 0.00 H new ATOM 0 HB VAL A 45 2.112 -4.169 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.447 -4.674 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.730 -4.404 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.385 -6.058 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.111 -5.609 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.086 -7.046 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.882 -6.023 3.284 1.00 0.00 H new ATOM 691 N ASP A 46 -1.042 -5.863 6.593 1.00 0.00 N ATOM 692 CA ASP A 46 -2.059 -5.353 7.498 1.00 0.00 C ATOM 693 C ASP A 46 -1.394 -4.876 8.790 1.00 0.00 C ATOM 694 O ASP A 46 -0.743 -5.657 9.483 1.00 0.00 O ATOM 695 CB ASP A 46 -3.069 -6.444 7.861 1.00 0.00 C ATOM 696 CG ASP A 46 -4.154 -6.016 8.852 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.937 -4.981 9.518 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.174 -6.735 8.922 1.00 0.00 O ATOM 0 H ASP A 46 -0.907 -6.873 6.628 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.576 -4.534 6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.550 -6.792 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.529 -7.293 8.280 1.00 0.00 H new ATOM 703 N ILE A 47 -1.579 -3.596 9.075 1.00 0.00 N ATOM 704 CA ILE A 47 -1.005 -3.005 10.272 1.00 0.00 C ATOM 705 C ILE A 47 -2.058 -2.984 11.382 1.00 0.00 C ATOM 706 O ILE A 47 -1.720 -2.927 12.563 1.00 0.00 O ATOM 707 CB ILE A 47 -0.414 -1.629 9.960 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.520 -0.606 9.690 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.585 -1.710 8.804 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.929 0.767 9.361 1.00 0.00 C ATOM 0 H ILE A 47 -2.118 -2.951 8.498 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.173 -3.610 10.633 1.00 0.00 H new ATOM 0 HB ILE A 47 0.135 -1.287 10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.141 -0.947 8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.168 -0.527 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.990 -0.718 8.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.397 -2.386 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.081 -2.083 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.736 1.475 9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.329 1.115 10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.301 0.690 8.474 1.00 0.00 H new ATOM 722 N SER A 48 -3.314 -3.033 10.962 1.00 0.00 N ATOM 723 CA SER A 48 -4.419 -3.021 11.906 1.00 0.00 C ATOM 724 C SER A 48 -4.394 -4.291 12.758 1.00 0.00 C ATOM 725 O SER A 48 -5.121 -4.396 13.744 1.00 0.00 O ATOM 726 CB SER A 48 -5.761 -2.894 11.181 1.00 0.00 C ATOM 727 OG SER A 48 -6.672 -2.055 11.886 1.00 0.00 O ATOM 0 H SER A 48 -3.591 -3.081 9.981 1.00 0.00 H new ATOM 0 HA SER A 48 -4.304 -2.154 12.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.596 -2.491 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.201 -3.883 11.057 1.00 0.00 H new ATOM 0 HG SER A 48 -7.074 -1.413 11.264 1.00 0.00 H new ATOM 733 N GLN A 49 -3.549 -5.225 12.346 1.00 0.00 N ATOM 734 CA GLN A 49 -3.419 -6.484 13.059 1.00 0.00 C ATOM 735 C GLN A 49 -2.611 -6.286 14.343 1.00 0.00 C ATOM 736 O GLN A 49 -3.102 -6.555 15.438 1.00 0.00 O ATOM 737 CB GLN A 49 -2.783 -7.555 12.170 1.00 0.00 C ATOM 738 CG GLN A 49 -3.716 -7.938 11.020 1.00 0.00 C ATOM 739 CD GLN A 49 -4.258 -9.357 11.202 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.586 -10.246 11.699 1.00 0.00 O ATOM 741 NE2 GLN A 49 -5.507 -9.519 10.775 1.00 0.00 N ATOM 0 H GLN A 49 -2.948 -5.135 11.527 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.416 -6.830 13.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.839 -7.186 11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.553 -8.438 12.766 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.545 -7.232 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.180 -7.868 10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.013 -8.732 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.959 -10.430 10.854 1.00 0.00 H new ATOM 750 N ASP A 50 -1.384 -5.817 14.166 1.00 0.00 N ATOM 751 CA ASP A 50 -0.503 -5.580 15.297 1.00 0.00 C ATOM 752 C ASP A 50 -0.103 -4.104 15.325 1.00 0.00 C ATOM 753 O ASP A 50 -0.159 -3.422 14.302 1.00 0.00 O ATOM 754 CB ASP A 50 0.774 -6.414 15.183 1.00 0.00 C ATOM 755 CG ASP A 50 1.246 -7.056 16.490 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.545 -6.283 17.426 1.00 0.00 O ATOM 757 OD2 ASP A 50 1.296 -8.304 16.523 1.00 0.00 O ATOM 0 H ASP A 50 -0.979 -5.595 13.256 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.037 -5.859 16.205 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.611 -7.201 14.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.572 -5.779 14.799 1.00 0.00 H new ATOM 762 N ASN A 51 0.291 -3.653 16.507 1.00 0.00 N ATOM 763 CA ASN A 51 0.700 -2.270 16.682 1.00 0.00 C ATOM 764 C ASN A 51 2.130 -2.096 16.165 1.00 0.00 C ATOM 765 O ASN A 51 2.445 -1.093 15.527 1.00 0.00 O ATOM 766 CB ASN A 51 0.679 -1.872 18.159 1.00 0.00 C ATOM 767 CG ASN A 51 1.157 -0.430 18.346 1.00 0.00 C ATOM 768 OD1 ASN A 51 2.165 -0.008 17.802 1.00 0.00 O ATOM 769 ND2 ASN A 51 0.380 0.298 19.142 1.00 0.00 N ATOM 0 H ASN A 51 0.336 -4.221 17.353 1.00 0.00 H new ATOM 0 HA ASN A 51 0.003 -1.640 16.129 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.332 -1.978 18.553 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.316 -2.547 18.730 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.613 1.273 19.330 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.450 -0.118 19.565 1.00 0.00 H new ATOM 776 N ALA A 52 2.956 -3.088 16.461 1.00 0.00 N ATOM 777 CA ALA A 52 4.345 -3.058 16.034 1.00 0.00 C ATOM 778 C ALA A 52 4.406 -2.791 14.529 1.00 0.00 C ATOM 779 O ALA A 52 5.390 -2.248 14.031 1.00 0.00 O ATOM 780 CB ALA A 52 5.027 -4.371 16.422 1.00 0.00 C ATOM 0 H ALA A 52 2.691 -3.918 16.991 1.00 0.00 H new ATOM 0 HA ALA A 52 4.883 -2.252 16.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.069 -4.348 16.102 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.983 -4.498 17.504 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.516 -5.203 15.937 1.00 0.00 H new ATOM 786 N LEU A 53 3.341 -3.187 13.847 1.00 0.00 N ATOM 787 CA LEU A 53 3.261 -2.998 12.409 1.00 0.00 C ATOM 788 C LEU A 53 3.363 -1.505 12.088 1.00 0.00 C ATOM 789 O LEU A 53 4.379 -1.046 11.569 1.00 0.00 O ATOM 790 CB LEU A 53 2.000 -3.661 11.850 1.00 0.00 C ATOM 791 CG LEU A 53 2.143 -5.126 11.431 1.00 0.00 C ATOM 792 CD1 LEU A 53 3.108 -5.268 10.253 1.00 0.00 C ATOM 793 CD2 LEU A 53 2.556 -5.998 12.618 1.00 0.00 C ATOM 0 H LEU A 53 2.527 -3.638 14.264 1.00 0.00 H new ATOM 0 HA LEU A 53 4.099 -3.490 11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.214 -3.594 12.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.664 -3.088 10.986 1.00 0.00 H new ATOM 0 HG LEU A 53 1.169 -5.481 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.191 -6.319 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.732 -4.697 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.089 -4.889 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.651 -7.034 12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.513 -5.651 13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.799 -5.931 13.400 1.00 0.00 H new ATOM 805 N ARG A 54 2.297 -0.788 12.412 1.00 0.00 N ATOM 806 CA ARG A 54 2.254 0.643 12.165 1.00 0.00 C ATOM 807 C ARG A 54 3.626 1.268 12.425 1.00 0.00 C ATOM 808 O ARG A 54 4.207 1.890 11.536 1.00 0.00 O ATOM 809 CB ARG A 54 1.214 1.325 13.057 1.00 0.00 C ATOM 810 CG ARG A 54 0.980 2.772 12.619 1.00 0.00 C ATOM 811 CD ARG A 54 -0.429 3.237 12.993 1.00 0.00 C ATOM 812 NE ARG A 54 -0.554 4.695 12.777 1.00 0.00 N ATOM 813 CZ ARG A 54 -1.692 5.384 12.940 1.00 0.00 C ATOM 814 NH1 ARG A 54 -2.810 4.750 13.322 1.00 0.00 N ATOM 815 NH2 ARG A 54 -1.713 6.706 12.722 1.00 0.00 N ATOM 0 H ARG A 54 1.456 -1.172 12.844 1.00 0.00 H new ATOM 0 HA ARG A 54 1.975 0.791 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.275 0.772 13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.550 1.305 14.094 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.718 3.422 13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.121 2.857 11.541 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.167 2.707 12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.636 2.996 14.036 1.00 0.00 H new ATOM 0 HE ARG A 54 0.278 5.208 12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.794 3.744 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.676 5.274 13.446 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.863 7.189 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.579 7.230 12.846 1.00 0.00 H new ATOM 829 N ASP A 55 4.105 1.080 13.646 1.00 0.00 N ATOM 830 CA ASP A 55 5.399 1.618 14.033 1.00 0.00 C ATOM 831 C ASP A 55 6.449 1.201 13.001 1.00 0.00 C ATOM 832 O ASP A 55 7.199 2.038 12.502 1.00 0.00 O ATOM 833 CB ASP A 55 5.834 1.076 15.396 1.00 0.00 C ATOM 834 CG ASP A 55 6.836 1.953 16.150 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.925 2.187 15.581 1.00 0.00 O ATOM 836 OD2 ASP A 55 6.492 2.368 17.277 1.00 0.00 O ATOM 0 H ASP A 55 3.621 0.563 14.380 1.00 0.00 H new ATOM 0 HA ASP A 55 5.311 2.703 14.087 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.948 0.945 16.018 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.273 0.088 15.254 1.00 0.00 H new ATOM 841 N GLU A 56 6.468 -0.092 12.713 1.00 0.00 N ATOM 842 CA GLU A 56 7.414 -0.630 11.750 1.00 0.00 C ATOM 843 C GLU A 56 7.426 0.228 10.482 1.00 0.00 C ATOM 844 O GLU A 56 8.480 0.701 10.059 1.00 0.00 O ATOM 845 CB GLU A 56 7.092 -2.089 11.421 1.00 0.00 C ATOM 846 CG GLU A 56 8.300 -2.990 11.685 1.00 0.00 C ATOM 847 CD GLU A 56 8.223 -3.616 13.079 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.273 -4.398 13.298 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.116 -3.300 13.894 1.00 0.00 O ATOM 0 H GLU A 56 5.844 -0.783 13.129 1.00 0.00 H new ATOM 0 HA GLU A 56 8.409 -0.603 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.246 -2.423 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.793 -2.172 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.343 -3.776 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.218 -2.410 11.593 1.00 0.00 H new ATOM 856 N MET A 57 6.243 0.401 9.912 1.00 0.00 N ATOM 857 CA MET A 57 6.105 1.193 8.702 1.00 0.00 C ATOM 858 C MET A 57 6.655 2.606 8.906 1.00 0.00 C ATOM 859 O MET A 57 7.448 3.090 8.099 1.00 0.00 O ATOM 860 CB MET A 57 4.628 1.272 8.309 1.00 0.00 C ATOM 861 CG MET A 57 4.426 2.217 7.123 1.00 0.00 C ATOM 862 SD MET A 57 4.250 3.896 7.702 1.00 0.00 S ATOM 863 CE MET A 57 2.898 3.688 8.849 1.00 0.00 C ATOM 0 H MET A 57 5.371 0.006 10.266 1.00 0.00 H new ATOM 0 HA MET A 57 6.676 0.712 7.908 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.263 0.278 8.053 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.040 1.618 9.159 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.274 2.146 6.442 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.540 1.923 6.560 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.276 4.583 8.844 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.298 2.828 8.552 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.293 3.526 9.852 1.00 0.00 H new ATOM 873 N ARG A 58 6.213 3.229 9.988 1.00 0.00 N ATOM 874 CA ARG A 58 6.652 4.577 10.308 1.00 0.00 C ATOM 875 C ARG A 58 8.180 4.653 10.305 1.00 0.00 C ATOM 876 O ARG A 58 8.763 5.471 9.596 1.00 0.00 O ATOM 877 CB ARG A 58 6.129 5.016 11.677 1.00 0.00 C ATOM 878 CG ARG A 58 4.747 5.661 11.555 1.00 0.00 C ATOM 879 CD ARG A 58 3.804 5.148 12.645 1.00 0.00 C ATOM 880 NE ARG A 58 4.486 5.174 13.958 1.00 0.00 N ATOM 881 CZ ARG A 58 3.848 5.169 15.136 1.00 0.00 C ATOM 882 NH1 ARG A 58 2.509 5.140 15.173 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.549 5.194 16.278 1.00 0.00 N ATOM 0 H ARG A 58 5.555 2.825 10.655 1.00 0.00 H new ATOM 0 HA ARG A 58 6.250 5.246 9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.075 4.155 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.826 5.723 12.127 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.840 6.744 11.630 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.326 5.444 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.906 5.765 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.484 4.132 12.412 1.00 0.00 H new ATOM 0 HE ARG A 58 5.506 5.197 13.967 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.975 5.122 14.304 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.024 5.136 16.070 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.568 5.217 16.250 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.063 5.190 17.175 1.00 0.00 H new ATOM 897 N THR A 59 8.785 3.788 11.106 1.00 0.00 N ATOM 898 CA THR A 59 10.234 3.746 11.205 1.00 0.00 C ATOM 899 C THR A 59 10.861 3.654 9.813 1.00 0.00 C ATOM 900 O THR A 59 11.757 4.427 9.479 1.00 0.00 O ATOM 901 CB THR A 59 10.612 2.581 12.121 1.00 0.00 C ATOM 902 OG1 THR A 59 10.444 3.103 13.436 1.00 0.00 O ATOM 903 CG2 THR A 59 12.101 2.235 12.045 1.00 0.00 C ATOM 0 H THR A 59 8.298 3.111 11.693 1.00 0.00 H new ATOM 0 HA THR A 59 10.627 4.663 11.644 1.00 0.00 H new ATOM 0 HB THR A 59 10.021 1.705 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.667 2.411 14.093 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.316 1.402 12.714 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.358 1.955 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.692 3.101 12.343 1.00 0.00 H new ATOM 911 N LEU A 60 10.364 2.701 9.037 1.00 0.00 N ATOM 912 CA LEU A 60 10.865 2.497 7.689 1.00 0.00 C ATOM 913 C LEU A 60 10.629 3.765 6.865 1.00 0.00 C ATOM 914 O LEU A 60 11.547 4.270 6.220 1.00 0.00 O ATOM 915 CB LEU A 60 10.248 1.240 7.073 1.00 0.00 C ATOM 916 CG LEU A 60 10.797 -0.095 7.581 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.936 -1.262 7.095 1.00 0.00 C ATOM 918 CD2 LEU A 60 12.267 -0.267 7.192 1.00 0.00 C ATOM 0 H LEU A 60 9.620 2.062 9.317 1.00 0.00 H new ATOM 0 HA LEU A 60 11.941 2.322 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.173 1.261 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.390 1.281 5.993 1.00 0.00 H new ATOM 0 HG LEU A 60 10.750 -0.091 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.348 -2.199 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.917 -1.140 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.928 -1.279 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.633 -1.224 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.362 -0.241 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.855 0.541 7.627 1.00 0.00 H new ATOM 930 N ALA A 61 9.394 4.242 6.913 1.00 0.00 N ATOM 931 CA ALA A 61 9.026 5.441 6.179 1.00 0.00 C ATOM 932 C ALA A 61 9.974 6.580 6.563 1.00 0.00 C ATOM 933 O ALA A 61 10.525 7.253 5.693 1.00 0.00 O ATOM 934 CB ALA A 61 7.562 5.783 6.460 1.00 0.00 C ATOM 0 H ALA A 61 8.635 3.820 7.449 1.00 0.00 H new ATOM 0 HA ALA A 61 9.123 5.278 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.286 6.682 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.928 4.955 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.427 5.956 7.528 1.00 0.00 H new ATOM 940 N GLY A 62 10.135 6.759 7.865 1.00 0.00 N ATOM 941 CA GLY A 62 11.007 7.804 8.375 1.00 0.00 C ATOM 942 C GLY A 62 10.200 8.891 9.089 1.00 0.00 C ATOM 943 O GLY A 62 10.625 10.044 9.151 1.00 0.00 O ATOM 0 H GLY A 62 9.676 6.198 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.733 7.373 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.571 8.245 7.553 1.00 0.00 H new ATOM 947 N ASN A 63 9.052 8.485 9.610 1.00 0.00 N ATOM 948 CA ASN A 63 8.182 9.410 10.317 1.00 0.00 C ATOM 949 C ASN A 63 7.141 8.618 11.111 1.00 0.00 C ATOM 950 O ASN A 63 6.457 7.758 10.560 1.00 0.00 O ATOM 951 CB ASN A 63 7.438 10.322 9.340 1.00 0.00 C ATOM 952 CG ASN A 63 7.190 11.700 9.957 1.00 0.00 C ATOM 953 OD1 ASN A 63 8.040 12.276 10.616 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.981 12.195 9.709 1.00 0.00 N ATOM 0 H ASN A 63 8.704 7.528 9.557 1.00 0.00 H new ATOM 0 HA ASN A 63 8.801 10.018 10.977 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.018 10.429 8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.487 9.867 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.719 13.109 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.316 11.661 9.150 1.00 0.00 H new ATOM 961 N PRO A 64 7.053 8.945 12.428 1.00 0.00 N ATOM 962 CA PRO A 64 6.107 8.275 13.304 1.00 0.00 C ATOM 963 C PRO A 64 4.681 8.767 13.051 1.00 0.00 C ATOM 964 O PRO A 64 3.719 8.032 13.269 1.00 0.00 O ATOM 965 CB PRO A 64 6.597 8.571 14.712 1.00 0.00 C ATOM 966 CG PRO A 64 7.519 9.773 14.588 1.00 0.00 C ATOM 967 CD PRO A 64 7.848 9.958 13.116 1.00 0.00 C ATOM 0 HA PRO A 64 6.062 7.200 13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.762 8.786 15.379 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.126 7.714 15.130 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.038 10.666 14.987 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.430 9.617 15.166 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.591 10.961 12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.913 9.821 12.928 1.00 0.00 H new ATOM 975 N LYS A 65 4.590 10.007 12.593 1.00 0.00 N ATOM 976 CA LYS A 65 3.297 10.605 12.307 1.00 0.00 C ATOM 977 C LYS A 65 2.913 10.311 10.855 1.00 0.00 C ATOM 978 O LYS A 65 2.392 11.180 10.159 1.00 0.00 O ATOM 979 CB LYS A 65 3.310 12.097 12.649 1.00 0.00 C ATOM 980 CG LYS A 65 2.994 12.322 14.129 1.00 0.00 C ATOM 981 CD LYS A 65 1.523 12.696 14.325 1.00 0.00 C ATOM 982 CE LYS A 65 1.351 14.213 14.422 1.00 0.00 C ATOM 983 NZ LYS A 65 0.268 14.671 13.523 1.00 0.00 N ATOM 0 H LYS A 65 5.390 10.614 12.413 1.00 0.00 H new ATOM 0 HA LYS A 65 2.525 10.163 12.937 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.287 12.519 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.579 12.621 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.222 11.418 14.695 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.630 13.114 14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.933 12.312 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.142 12.225 15.231 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.121 14.494 15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.285 14.708 14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.165 15.703 13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.502 14.420 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.625 14.212 13.794 1.00 0.00 H new ATOM 997 N ALA A 66 3.185 9.082 10.443 1.00 0.00 N ATOM 998 CA ALA A 66 2.874 8.662 9.087 1.00 0.00 C ATOM 999 C ALA A 66 1.584 7.839 9.095 1.00 0.00 C ATOM 1000 O ALA A 66 1.106 7.438 10.155 1.00 0.00 O ATOM 1001 CB ALA A 66 4.058 7.883 8.510 1.00 0.00 C ATOM 0 H ALA A 66 3.617 8.363 11.024 1.00 0.00 H new ATOM 0 HA ALA A 66 2.709 9.528 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.825 7.568 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.942 8.520 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.251 7.005 9.127 1.00 0.00 H new ATOM 1007 N THR A 67 1.057 7.613 7.901 1.00 0.00 N ATOM 1008 CA THR A 67 -0.169 6.846 7.757 1.00 0.00 C ATOM 1009 C THR A 67 -0.189 6.120 6.411 1.00 0.00 C ATOM 1010 O THR A 67 0.526 6.501 5.486 1.00 0.00 O ATOM 1011 CB THR A 67 -1.349 7.800 7.952 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.063 8.889 7.079 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.367 8.434 9.344 1.00 0.00 C ATOM 0 H THR A 67 1.456 7.947 7.024 1.00 0.00 H new ATOM 0 HA THR A 67 -0.237 6.064 8.513 1.00 0.00 H new ATOM 0 HB THR A 67 -2.282 7.261 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.779 9.555 7.141 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.224 9.102 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.441 7.652 10.099 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.449 9.001 9.497 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.039 5.061 6.342 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.162 4.279 5.123 1.00 0.00 C ATOM 1023 C PRO A 68 -1.965 5.036 4.064 1.00 0.00 C ATOM 1024 O PRO A 68 -2.610 6.039 4.368 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.825 2.980 5.555 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.468 3.268 6.902 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.903 4.582 7.417 1.00 0.00 C ATOM 0 HA PRO A 68 -0.200 4.082 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.571 2.661 4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.093 2.176 5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.552 3.332 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.260 2.461 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.697 5.296 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.343 4.437 8.341 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.898 4.514 2.810 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.111 3.324 2.536 1.00 0.00 C ATOM 1037 C PRO A 69 0.384 3.647 2.519 1.00 0.00 C ATOM 1038 O PRO A 69 0.774 4.808 2.640 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.623 2.813 1.199 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.347 3.984 0.555 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.567 5.042 1.624 1.00 0.00 C ATOM 0 HA PRO A 69 -1.220 2.561 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.801 2.469 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.295 1.966 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.759 4.390 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.300 3.660 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.145 6.001 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.629 5.205 1.808 1.00 0.00 H new ATOM 1049 N GLN A 70 1.182 2.600 2.368 1.00 0.00 N ATOM 1050 CA GLN A 70 2.626 2.758 2.333 1.00 0.00 C ATOM 1051 C GLN A 70 3.255 1.688 1.439 1.00 0.00 C ATOM 1052 O GLN A 70 3.104 0.494 1.692 1.00 0.00 O ATOM 1053 CB GLN A 70 3.216 2.710 3.744 1.00 0.00 C ATOM 1054 CG GLN A 70 4.078 3.943 4.020 1.00 0.00 C ATOM 1055 CD GLN A 70 3.266 5.034 4.721 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.542 4.790 5.672 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.427 6.248 4.200 1.00 0.00 N ATOM 0 H GLN A 70 0.856 1.639 2.268 1.00 0.00 H new ATOM 0 HA GLN A 70 2.856 3.737 1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.411 2.653 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.817 1.808 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.930 3.664 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.478 4.328 3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.049 6.383 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.928 7.044 4.598 1.00 0.00 H new ATOM 1066 N ILE A 71 3.949 2.155 0.411 1.00 0.00 N ATOM 1067 CA ILE A 71 4.603 1.253 -0.522 1.00 0.00 C ATOM 1068 C ILE A 71 6.066 1.075 -0.113 1.00 0.00 C ATOM 1069 O ILE A 71 6.740 2.044 0.233 1.00 0.00 O ATOM 1070 CB ILE A 71 4.421 1.746 -1.959 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.938 1.894 -2.305 1.00 0.00 C ATOM 1072 CG2 ILE A 71 5.152 0.834 -2.948 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.631 3.307 -2.806 1.00 0.00 C ATOM 0 H ILE A 71 4.073 3.146 0.204 1.00 0.00 H new ATOM 0 HA ILE A 71 4.141 0.267 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 71 4.870 2.736 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.665 1.166 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.332 1.676 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.007 1.206 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.217 0.823 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.754 -0.178 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.570 3.386 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.883 4.031 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.221 3.512 -3.699 1.00 0.00 H new ATOM 1085 N VAL A 72 6.515 -0.170 -0.166 1.00 0.00 N ATOM 1086 CA VAL A 72 7.886 -0.488 0.194 1.00 0.00 C ATOM 1087 C VAL A 72 8.410 -1.589 -0.730 1.00 0.00 C ATOM 1088 O VAL A 72 7.736 -2.593 -0.949 1.00 0.00 O ATOM 1089 CB VAL A 72 7.964 -0.863 1.676 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.383 -0.671 2.216 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.952 -0.063 2.498 1.00 0.00 C ATOM 0 H VAL A 72 5.953 -0.971 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 72 8.528 0.382 0.058 1.00 0.00 H new ATOM 0 HB VAL A 72 7.710 -1.919 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.411 -0.944 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.073 -1.304 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.677 0.373 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.028 -0.349 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.161 1.002 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.945 -0.271 2.138 1.00 0.00 H new ATOM 1101 N ASN A 73 9.609 -1.362 -1.246 1.00 0.00 N ATOM 1102 CA ASN A 73 10.232 -2.323 -2.142 1.00 0.00 C ATOM 1103 C ASN A 73 11.569 -2.772 -1.550 1.00 0.00 C ATOM 1104 O ASN A 73 12.549 -2.029 -1.586 1.00 0.00 O ATOM 1105 CB ASN A 73 10.506 -1.701 -3.512 1.00 0.00 C ATOM 1106 CG ASN A 73 9.902 -2.551 -4.631 1.00 0.00 C ATOM 1107 OD1 ASN A 73 9.632 -3.731 -4.473 1.00 0.00 O ATOM 1108 ND2 ASN A 73 9.705 -1.889 -5.768 1.00 0.00 N ATOM 0 H ASN A 73 10.166 -0.528 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 73 9.551 -3.166 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.088 -0.695 -3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.581 -1.605 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.306 -2.369 -6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.953 -0.902 -5.833 1.00 0.00 H new ATOM 1115 N GLY A 74 11.567 -3.986 -1.020 1.00 0.00 N ATOM 1116 CA GLY A 74 12.768 -4.544 -0.422 1.00 0.00 C ATOM 1117 C GLY A 74 13.290 -3.644 0.700 1.00 0.00 C ATOM 1118 O GLY A 74 14.491 -3.395 0.793 1.00 0.00 O ATOM 0 H GLY A 74 10.752 -4.599 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.554 -5.537 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.537 -4.663 -1.185 1.00 0.00 H new ATOM 1122 N ASN A 75 12.362 -3.181 1.524 1.00 0.00 N ATOM 1123 CA ASN A 75 12.713 -2.314 2.636 1.00 0.00 C ATOM 1124 C ASN A 75 13.091 -0.932 2.100 1.00 0.00 C ATOM 1125 O ASN A 75 13.904 -0.230 2.701 1.00 0.00 O ATOM 1126 CB ASN A 75 13.913 -2.867 3.407 1.00 0.00 C ATOM 1127 CG ASN A 75 13.548 -3.140 4.868 1.00 0.00 C ATOM 1128 OD1 ASN A 75 12.546 -2.671 5.383 1.00 0.00 O ATOM 1129 ND2 ASN A 75 14.414 -3.924 5.504 1.00 0.00 N ATOM 0 H ASN A 75 11.367 -3.390 1.444 1.00 0.00 H new ATOM 0 HA ASN A 75 11.852 -2.254 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.259 -3.788 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.738 -2.156 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.259 -4.166 6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.233 -4.283 5.013 1.00 0.00 H new ATOM 1136 N HIS A 76 12.483 -0.582 0.976 1.00 0.00 N ATOM 1137 CA HIS A 76 12.746 0.704 0.353 1.00 0.00 C ATOM 1138 C HIS A 76 11.466 1.541 0.344 1.00 0.00 C ATOM 1139 O HIS A 76 10.560 1.289 -0.448 1.00 0.00 O ATOM 1140 CB HIS A 76 13.342 0.519 -1.044 1.00 0.00 C ATOM 1141 CG HIS A 76 14.519 -0.427 -1.089 1.00 0.00 C ATOM 1142 ND1 HIS A 76 15.326 -0.672 0.009 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.016 -1.184 -2.109 1.00 0.00 C ATOM 1144 CE1 HIS A 76 16.263 -1.539 -0.347 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.070 -1.854 -1.660 1.00 0.00 N ATOM 0 H HIS A 76 11.809 -1.166 0.481 1.00 0.00 H new ATOM 0 HA HIS A 76 13.491 1.248 0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.565 0.149 -1.713 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.655 1.491 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.619 -1.230 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.043 -1.928 0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.641 -2.498 -2.207 1.00 0.00 H new ATOM 1153 N TYR A 77 11.432 2.521 1.235 1.00 0.00 N ATOM 1154 CA TYR A 77 10.278 3.398 1.341 1.00 0.00 C ATOM 1155 C TYR A 77 10.068 4.186 0.046 1.00 0.00 C ATOM 1156 O TYR A 77 10.794 5.140 -0.228 1.00 0.00 O ATOM 1157 CB TYR A 77 10.593 4.375 2.474 1.00 0.00 C ATOM 1158 CG TYR A 77 9.480 5.389 2.750 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.159 4.991 2.708 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.796 6.700 3.039 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.111 5.944 2.967 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.749 7.654 3.298 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.458 7.228 3.250 1.00 0.00 C ATOM 1164 OH TYR A 77 6.468 8.129 3.494 1.00 0.00 O ATOM 0 H TYR A 77 12.186 2.727 1.891 1.00 0.00 H new ATOM 0 HA TYR A 77 9.373 2.820 1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.788 3.809 3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.509 4.914 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.911 3.965 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.830 7.011 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.073 5.646 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.983 8.684 3.525 1.00 0.00 H new ATOM 0 HH TYR A 77 6.863 9.006 3.683 1.00 0.00 H new ATOM 1174 N CYS A 78 9.072 3.759 -0.715 1.00 0.00 N ATOM 1175 CA CYS A 78 8.757 4.413 -1.974 1.00 0.00 C ATOM 1176 C CYS A 78 8.156 5.785 -1.665 1.00 0.00 C ATOM 1177 O CYS A 78 8.715 6.812 -2.046 1.00 0.00 O ATOM 1178 CB CYS A 78 7.823 3.561 -2.836 1.00 0.00 C ATOM 1179 SG CYS A 78 8.669 2.018 -3.338 1.00 0.00 S ATOM 0 H CYS A 78 8.472 2.967 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 78 9.668 4.540 -2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.916 3.324 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.517 4.122 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 78 9.443 1.614 -2.375 1.00 0.00 H new ATOM 1185 N GLY A 79 7.024 5.758 -0.976 1.00 0.00 N ATOM 1186 CA GLY A 79 6.341 6.988 -0.612 1.00 0.00 C ATOM 1187 C GLY A 79 4.912 6.703 -0.145 1.00 0.00 C ATOM 1188 O GLY A 79 4.571 5.561 0.161 1.00 0.00 O ATOM 0 H GLY A 79 6.563 4.904 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.893 7.494 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.320 7.664 -1.467 1.00 0.00 H new ATOM 1192 N ASP A 80 4.115 7.761 -0.105 1.00 0.00 N ATOM 1193 CA ASP A 80 2.730 7.639 0.320 1.00 0.00 C ATOM 1194 C ASP A 80 1.823 7.622 -0.913 1.00 0.00 C ATOM 1195 O ASP A 80 2.283 7.857 -2.029 1.00 0.00 O ATOM 1196 CB ASP A 80 2.317 8.823 1.196 1.00 0.00 C ATOM 1197 CG ASP A 80 2.285 10.175 0.482 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.834 10.239 -0.639 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.712 11.116 1.073 1.00 0.00 O ATOM 0 H ASP A 80 4.401 8.706 -0.360 1.00 0.00 H new ATOM 0 HA ASP A 80 2.632 6.716 0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.328 8.623 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.006 8.890 2.038 1.00 0.00 H new ATOM 1204 N TYR A 81 0.552 7.343 -0.668 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.424 7.293 -1.744 1.00 0.00 C ATOM 1206 C TYR A 81 -0.260 8.486 -2.688 1.00 0.00 C ATOM 1207 O TYR A 81 -0.386 8.342 -3.903 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.796 7.374 -1.072 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.931 7.764 -2.022 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.099 9.083 -2.391 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.787 6.797 -2.508 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.167 9.450 -3.284 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.855 7.164 -3.401 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.993 8.473 -3.745 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.001 8.819 -4.589 1.00 0.00 O ATOM 0 H TYR A 81 0.175 7.149 0.260 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.300 6.385 -2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.027 6.408 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.750 8.100 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.429 9.840 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.656 5.765 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.309 10.479 -3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.531 6.417 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.216 8.060 -5.170 1.00 0.00 H new ATOM 1225 N GLU A 82 0.019 9.637 -2.094 1.00 0.00 N ATOM 1226 CA GLU A 82 0.201 10.853 -2.867 1.00 0.00 C ATOM 1227 C GLU A 82 1.286 10.651 -3.927 1.00 0.00 C ATOM 1228 O GLU A 82 1.007 10.707 -5.124 1.00 0.00 O ATOM 1229 CB GLU A 82 0.538 12.036 -1.957 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.675 12.447 -1.120 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.835 13.968 -1.096 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -1.313 14.504 -2.119 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.476 14.561 -0.056 1.00 0.00 O ATOM 0 H GLU A 82 0.123 9.753 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.737 11.082 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.365 11.769 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.871 12.880 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.576 11.990 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.562 12.074 -0.102 1.00 0.00 H new ATOM 1240 N LEU A 83 2.500 10.420 -3.449 1.00 0.00 N ATOM 1241 CA LEU A 83 3.627 10.209 -4.341 1.00 0.00 C ATOM 1242 C LEU A 83 3.226 9.221 -5.438 1.00 0.00 C ATOM 1243 O LEU A 83 3.450 9.476 -6.620 1.00 0.00 O ATOM 1244 CB LEU A 83 4.864 9.781 -3.549 1.00 0.00 C ATOM 1245 CG LEU A 83 5.857 10.892 -3.203 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.158 12.047 -2.484 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.035 10.342 -2.395 1.00 0.00 C ATOM 0 H LEU A 83 2.728 10.374 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 83 3.901 11.141 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.533 9.315 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.390 9.016 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 83 6.263 11.290 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.886 12.823 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.382 12.460 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.707 11.682 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.726 11.152 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.667 9.902 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.552 9.580 -2.978 1.00 0.00 H new ATOM 1259 N PHE A 84 2.641 8.113 -5.007 1.00 0.00 N ATOM 1260 CA PHE A 84 2.207 7.086 -5.938 1.00 0.00 C ATOM 1261 C PHE A 84 1.360 7.686 -7.062 1.00 0.00 C ATOM 1262 O PHE A 84 1.648 7.478 -8.240 1.00 0.00 O ATOM 1263 CB PHE A 84 1.351 6.096 -5.144 1.00 0.00 C ATOM 1264 CG PHE A 84 1.180 4.736 -5.824 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.233 3.879 -5.904 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.024 4.385 -6.349 1.00 0.00 C ATOM 1267 CE1 PHE A 84 2.075 2.617 -6.535 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.183 3.122 -6.980 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.870 2.265 -7.060 1.00 0.00 C ATOM 0 H PHE A 84 2.458 7.904 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 84 3.074 6.604 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.803 5.946 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.367 6.534 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.189 4.158 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.860 5.066 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.911 1.936 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.140 2.843 -7.396 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.750 1.305 -7.540 1.00 0.00 H new ATOM 1279 N VAL A 85 0.333 8.419 -6.659 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.557 9.051 -7.618 1.00 0.00 C ATOM 1281 C VAL A 85 0.254 9.974 -8.529 1.00 0.00 C ATOM 1282 O VAL A 85 0.090 9.949 -9.748 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.686 9.778 -6.884 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.477 11.294 -6.921 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.050 9.398 -7.462 1.00 0.00 C ATOM 0 H VAL A 85 0.097 8.589 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.029 8.301 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.665 9.462 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.293 11.787 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.531 11.543 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.458 11.634 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.834 9.929 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.087 9.671 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.202 8.324 -7.359 1.00 0.00 H new ATOM 1295 N GLU A 86 1.112 10.766 -7.904 1.00 0.00 N ATOM 1296 CA GLU A 86 1.949 11.695 -8.644 1.00 0.00 C ATOM 1297 C GLU A 86 2.670 10.969 -9.782 1.00 0.00 C ATOM 1298 O GLU A 86 2.691 11.450 -10.914 1.00 0.00 O ATOM 1299 CB GLU A 86 2.949 12.390 -7.717 1.00 0.00 C ATOM 1300 CG GLU A 86 2.369 13.692 -7.162 1.00 0.00 C ATOM 1301 CD GLU A 86 3.483 14.660 -6.758 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.451 14.770 -7.541 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.342 15.268 -5.675 1.00 0.00 O ATOM 0 H GLU A 86 1.246 10.784 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 86 1.309 12.464 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.211 11.725 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.869 12.601 -8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.731 14.159 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.740 13.475 -6.299 1.00 0.00 H new ATOM 1310 N ALA A 87 3.242 9.824 -9.442 1.00 0.00 N ATOM 1311 CA ALA A 87 3.961 9.027 -10.422 1.00 0.00 C ATOM 1312 C ALA A 87 2.957 8.340 -11.350 1.00 0.00 C ATOM 1313 O ALA A 87 3.014 8.512 -12.567 1.00 0.00 O ATOM 1314 CB ALA A 87 4.867 8.027 -9.701 1.00 0.00 C ATOM 0 H ALA A 87 3.223 9.429 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 87 4.599 9.660 -11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.406 7.429 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.580 8.566 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.261 7.372 -9.075 1.00 0.00 H new ATOM 1320 N VAL A 88 2.062 7.577 -10.741 1.00 0.00 N ATOM 1321 CA VAL A 88 1.048 6.863 -11.497 1.00 0.00 C ATOM 1322 C VAL A 88 0.508 7.773 -12.603 1.00 0.00 C ATOM 1323 O VAL A 88 0.591 7.437 -13.783 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.046 6.354 -10.556 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.346 6.091 -11.318 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.415 5.101 -9.808 1.00 0.00 C ATOM 0 H VAL A 88 2.018 7.438 -9.732 1.00 0.00 H new ATOM 0 HA VAL A 88 1.479 5.985 -11.978 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.243 7.132 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.107 5.730 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.688 7.015 -11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.171 5.340 -12.088 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.381 4.759 -9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.652 4.316 -10.526 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.302 5.335 -9.219 1.00 0.00 H new ATOM 1336 N GLU A 89 -0.032 8.907 -12.181 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.585 9.867 -13.121 1.00 0.00 C ATOM 1338 C GLU A 89 0.488 10.314 -14.116 1.00 0.00 C ATOM 1339 O GLU A 89 0.251 10.332 -15.323 1.00 0.00 O ATOM 1340 CB GLU A 89 -1.187 11.068 -12.388 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.309 10.628 -11.445 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.571 11.465 -11.668 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.615 12.584 -11.113 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.463 10.965 -12.387 1.00 0.00 O ATOM 0 H GLU A 89 -0.098 9.182 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.388 9.382 -13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.410 11.579 -11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.576 11.784 -13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.534 9.574 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.980 10.728 -10.411 1.00 0.00 H new ATOM 1351 N GLN A 90 1.645 10.662 -13.573 1.00 0.00 N ATOM 1352 CA GLN A 90 2.755 11.107 -14.399 1.00 0.00 C ATOM 1353 C GLN A 90 3.136 10.021 -15.406 1.00 0.00 C ATOM 1354 O GLN A 90 3.823 10.295 -16.390 1.00 0.00 O ATOM 1355 CB GLN A 90 3.956 11.501 -13.537 1.00 0.00 C ATOM 1356 CG GLN A 90 3.821 12.939 -13.032 1.00 0.00 C ATOM 1357 CD GLN A 90 3.776 13.928 -14.199 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.722 14.080 -14.954 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.627 14.589 -14.304 1.00 0.00 N ATOM 0 H GLN A 90 1.838 10.645 -12.572 1.00 0.00 H new ATOM 0 HA GLN A 90 2.440 11.992 -14.951 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.039 10.821 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.873 11.400 -14.117 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.915 13.035 -12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.660 13.179 -12.379 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.875 14.413 -13.638 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.498 15.272 -15.051 1.00 0.00 H new ATOM 1368 N ASP A 91 2.674 8.811 -15.127 1.00 0.00 N ATOM 1369 CA ASP A 91 2.958 7.682 -15.997 1.00 0.00 C ATOM 1370 C ASP A 91 4.392 7.207 -15.756 1.00 0.00 C ATOM 1371 O ASP A 91 4.994 6.575 -16.623 1.00 0.00 O ATOM 1372 CB ASP A 91 2.831 8.076 -17.470 1.00 0.00 C ATOM 1373 CG ASP A 91 2.478 6.929 -18.418 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.967 5.909 -17.909 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.727 7.099 -19.632 1.00 0.00 O ATOM 0 H ASP A 91 2.105 8.588 -14.311 1.00 0.00 H new ATOM 0 HA ASP A 91 2.240 6.893 -15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.068 8.849 -17.559 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.773 8.519 -17.795 1.00 0.00 H new ATOM 1380 N THR A 92 4.898 7.529 -14.575 1.00 0.00 N ATOM 1381 CA THR A 92 6.250 7.142 -14.210 1.00 0.00 C ATOM 1382 C THR A 92 6.250 6.403 -12.870 1.00 0.00 C ATOM 1383 O THR A 92 7.108 6.646 -12.023 1.00 0.00 O ATOM 1384 CB THR A 92 7.118 8.402 -14.208 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.501 9.247 -13.240 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.009 9.190 -15.515 1.00 0.00 C ATOM 0 H THR A 92 4.396 8.054 -13.858 1.00 0.00 H new ATOM 0 HA THR A 92 6.669 6.441 -14.932 1.00 0.00 H new ATOM 0 HB THR A 92 8.158 8.126 -14.037 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.001 10.087 -13.173 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.644 10.074 -15.461 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.331 8.562 -16.346 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.974 9.496 -15.670 1.00 0.00 H new ATOM 1394 N LEU A 93 5.278 5.515 -12.721 1.00 0.00 N ATOM 1395 CA LEU A 93 5.155 4.739 -11.499 1.00 0.00 C ATOM 1396 C LEU A 93 6.344 3.783 -11.385 1.00 0.00 C ATOM 1397 O LEU A 93 6.690 3.345 -10.289 1.00 0.00 O ATOM 1398 CB LEU A 93 3.796 4.038 -11.444 1.00 0.00 C ATOM 1399 CG LEU A 93 3.596 3.050 -10.293 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.433 3.785 -8.962 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.424 2.108 -10.576 1.00 0.00 C ATOM 0 H LEU A 93 4.568 5.316 -13.426 1.00 0.00 H new ATOM 0 HA LEU A 93 5.186 5.393 -10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.019 4.800 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.646 3.506 -12.383 1.00 0.00 H new ATOM 0 HG LEU A 93 4.491 2.434 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.292 3.060 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.325 4.378 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.565 4.442 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.304 1.416 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.511 2.690 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.621 1.546 -11.489 1.00 0.00 H new ATOM 1413 N GLN A 94 6.938 3.488 -12.532 1.00 0.00 N ATOM 1414 CA GLN A 94 8.082 2.593 -12.574 1.00 0.00 C ATOM 1415 C GLN A 94 9.315 3.280 -11.984 1.00 0.00 C ATOM 1416 O GLN A 94 10.133 2.637 -11.328 1.00 0.00 O ATOM 1417 CB GLN A 94 8.351 2.115 -14.002 1.00 0.00 C ATOM 1418 CG GLN A 94 7.464 0.919 -14.357 1.00 0.00 C ATOM 1419 CD GLN A 94 6.672 1.185 -15.639 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.878 2.166 -16.334 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.759 0.258 -15.912 1.00 0.00 N ATOM 0 H GLN A 94 6.648 3.853 -13.439 1.00 0.00 H new ATOM 0 HA GLN A 94 7.855 1.715 -11.969 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.167 2.929 -14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.400 1.837 -14.105 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.081 0.029 -14.484 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.776 0.715 -13.536 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.639 -0.539 -15.287 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.179 0.344 -16.747 1.00 0.00 H new ATOM 1430 N GLU A 95 9.410 4.576 -12.239 1.00 0.00 N ATOM 1431 CA GLU A 95 10.530 5.357 -11.741 1.00 0.00 C ATOM 1432 C GLU A 95 10.436 5.510 -10.221 1.00 0.00 C ATOM 1433 O GLU A 95 11.403 5.251 -9.507 1.00 0.00 O ATOM 1434 CB GLU A 95 10.594 6.723 -12.427 1.00 0.00 C ATOM 1435 CG GLU A 95 12.032 7.076 -12.811 1.00 0.00 C ATOM 1436 CD GLU A 95 12.283 6.812 -14.297 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.507 5.629 -14.634 1.00 0.00 O ATOM 1438 OE2 GLU A 95 12.245 7.799 -15.063 1.00 0.00 O ATOM 0 H GLU A 95 8.730 5.106 -12.784 1.00 0.00 H new ATOM 0 HA GLU A 95 11.452 4.826 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.967 6.716 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.193 7.487 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.225 8.125 -12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.727 6.489 -12.211 1.00 0.00 H new ATOM 1445 N PHE A 96 9.263 5.931 -9.772 1.00 0.00 N ATOM 1446 CA PHE A 96 9.030 6.122 -8.351 1.00 0.00 C ATOM 1447 C PHE A 96 9.499 4.905 -7.550 1.00 0.00 C ATOM 1448 O PHE A 96 10.329 5.032 -6.651 1.00 0.00 O ATOM 1449 CB PHE A 96 7.521 6.291 -8.163 1.00 0.00 C ATOM 1450 CG PHE A 96 7.068 6.257 -6.702 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.610 7.121 -5.802 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.124 5.364 -6.303 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.190 7.090 -4.446 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.703 5.333 -4.947 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.245 6.196 -4.047 1.00 0.00 C ATOM 0 H PHE A 96 8.463 6.145 -10.368 1.00 0.00 H new ATOM 0 HA PHE A 96 9.584 6.992 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.214 7.238 -8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.006 5.502 -8.711 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.360 7.831 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.694 4.678 -7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.621 7.776 -3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.952 4.624 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.926 6.172 -3.016 1.00 0.00 H new ATOM 1465 N LEU A 97 8.947 3.755 -7.906 1.00 0.00 N ATOM 1466 CA LEU A 97 9.298 2.516 -7.232 1.00 0.00 C ATOM 1467 C LEU A 97 10.777 2.210 -7.475 1.00 0.00 C ATOM 1468 O LEU A 97 11.579 3.122 -7.671 1.00 0.00 O ATOM 1469 CB LEU A 97 8.358 1.388 -7.660 1.00 0.00 C ATOM 1470 CG LEU A 97 6.862 1.708 -7.619 1.00 0.00 C ATOM 1471 CD1 LEU A 97 6.045 0.597 -8.280 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.400 1.986 -6.187 1.00 0.00 C ATOM 0 H LEU A 97 8.259 3.655 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 97 9.166 2.618 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.618 1.091 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.542 0.526 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 97 6.691 2.618 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.986 0.850 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.351 0.491 -9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.216 -0.342 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.333 2.211 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.587 1.109 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.950 2.837 -5.786 1.00 0.00 H new ATOM 1484 N LYS A 98 11.093 0.924 -7.454 1.00 0.00 N ATOM 1485 CA LYS A 98 12.462 0.486 -7.669 1.00 0.00 C ATOM 1486 C LYS A 98 12.508 -0.454 -8.875 1.00 0.00 C ATOM 1487 O LYS A 98 13.172 -1.489 -8.835 1.00 0.00 O ATOM 1488 CB LYS A 98 13.037 -0.126 -6.390 1.00 0.00 C ATOM 1489 CG LYS A 98 14.079 0.800 -5.760 1.00 0.00 C ATOM 1490 CD LYS A 98 13.409 1.985 -5.062 1.00 0.00 C ATOM 1491 CE LYS A 98 14.442 2.851 -4.338 1.00 0.00 C ATOM 1492 NZ LYS A 98 14.921 3.936 -5.223 1.00 0.00 N ATOM 0 H LYS A 98 10.425 0.171 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 98 13.102 1.337 -7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.233 -0.312 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.492 -1.090 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.679 0.242 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.760 1.164 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.874 2.588 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.670 1.621 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.001 3.277 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.283 2.235 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 15.621 4.514 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.361 3.524 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.118 4.534 -5.505 1.00 0.00 H new ATOM 1506 N LEU A 99 11.795 -0.060 -9.920 1.00 0.00 N ATOM 1507 CA LEU A 99 11.746 -0.855 -11.136 1.00 0.00 C ATOM 1508 C LEU A 99 12.850 -0.390 -12.088 1.00 0.00 C ATOM 1509 O LEU A 99 13.622 -1.204 -12.593 1.00 0.00 O ATOM 1510 CB LEU A 99 10.345 -0.811 -11.749 1.00 0.00 C ATOM 1511 CG LEU A 99 9.314 -1.760 -11.136 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.683 -1.149 -9.883 1.00 0.00 C ATOM 1513 CD2 LEU A 99 8.261 -2.166 -12.169 1.00 0.00 C ATOM 0 H LEU A 99 11.246 0.799 -9.950 1.00 0.00 H new ATOM 0 HA LEU A 99 11.938 -1.905 -10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.966 0.208 -11.666 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.428 -1.035 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 99 9.828 -2.670 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.954 -1.844 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.459 -0.952 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.186 -0.215 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.540 -2.841 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.745 -1.277 -12.532 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.746 -2.670 -13.005 1.00 0.00 H new ATOM 1525 N ALA A 100 12.889 0.916 -12.305 1.00 0.00 N ATOM 1526 CA ALA A 100 13.885 1.498 -13.188 1.00 0.00 C ATOM 1527 C ALA A 100 14.225 2.910 -12.706 1.00 0.00 C ATOM 1528 O ALA A 100 15.395 3.282 -12.638 1.00 0.00 O ATOM 1529 CB ALA A 100 13.363 1.484 -14.627 1.00 0.00 C ATOM 0 H ALA A 100 12.247 1.588 -11.885 1.00 0.00 H new ATOM 0 HA ALA A 100 14.804 0.912 -13.168 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.110 1.921 -15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.164 0.457 -14.932 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.442 2.065 -14.686 1.00 0.00 H new TER 1535 ALA A 100