USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 773 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.18 (180deg=0.827) USER MOD Single : A 12 GLN : amide:sc= -0.688 K(o=-0.69,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot 129:sc= 0.554 USER MOD Single : A 23 SER OG : rot -33:sc= 0.787 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 39 SER OG : rot 68:sc= 0.878 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.857 K(o=0.86,f=-4.6!) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0296 (180deg=-0.196) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.94) USER MOD Single : A 49 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.2) USER MOD Single : A 51 SER OG : rot 180:sc= -0.838 USER MOD Single : A 52 HIS : no HD1:sc= -0.611 X(o=-0.61,f=-0.14) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -177:sc= -2.27 (180deg=-2.52) USER MOD Single : A 61 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.28) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0379 X(o=0.038,f=-0.076) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.518 25.687 -8.747 1.00 1.00 N ATOM 2 CA PRO A 1 -15.781 25.566 -7.295 1.00 1.00 C ATOM 3 C PRO A 1 -17.253 25.796 -7.007 1.00 1.00 C ATOM 4 O PRO A 1 -17.722 26.929 -6.974 1.00 1.00 O ATOM 5 CB PRO A 1 -14.936 26.580 -6.540 1.00 1.00 C ATOM 6 CG PRO A 1 -14.485 27.510 -7.604 1.00 1.00 C ATOM 7 CD PRO A 1 -14.460 26.711 -8.893 1.00 1.00 C ATOM 0 H2 PRO A 1 -16.363 25.962 -9.248 1.00 1.00 H new ATOM 0 H3 PRO A 1 -15.217 24.794 -9.138 1.00 1.00 H new ATOM 0 HA PRO A 1 -15.517 24.561 -6.966 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -15.516 27.096 -5.774 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -14.093 26.106 -6.037 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -15.161 28.361 -7.688 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -13.497 27.910 -7.376 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -14.650 27.351 -9.755 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -13.485 26.248 -9.049 1.00 1.00 H new ATOM 17 N ILE A 2 -17.989 24.718 -6.877 1.00 1.00 N ATOM 18 CA ILE A 2 -19.403 24.809 -6.565 1.00 1.00 C ATOM 19 C ILE A 2 -19.604 24.768 -5.036 1.00 1.00 C ATOM 20 O ILE A 2 -19.552 25.796 -4.374 1.00 1.00 O ATOM 21 CB ILE A 2 -20.187 23.682 -7.288 1.00 1.00 C ATOM 22 CG1 ILE A 2 -19.886 23.743 -8.795 1.00 1.00 C ATOM 23 CG2 ILE A 2 -21.684 23.815 -7.041 1.00 1.00 C ATOM 24 CD1 ILE A 2 -20.390 22.553 -9.584 1.00 1.00 C ATOM 0 H ILE A 2 -17.636 23.767 -6.982 1.00 1.00 H new ATOM 0 HA ILE A 2 -19.798 25.759 -6.926 1.00 1.00 H new ATOM 0 HB ILE A 2 -19.869 22.718 -6.891 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -20.331 24.650 -9.205 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -18.808 23.825 -8.934 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -22.211 23.013 -7.559 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -21.884 23.749 -5.971 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -22.031 24.778 -7.416 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -20.135 22.679 -10.636 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -19.926 21.642 -9.205 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -21.473 22.479 -9.480 1.00 1.00 H new ATOM 36 N THR A 3 -19.790 23.578 -4.495 1.00 1.00 N ATOM 37 CA THR A 3 -19.984 23.351 -3.043 1.00 1.00 C ATOM 38 C THR A 3 -20.683 22.019 -2.876 1.00 1.00 C ATOM 39 O THR A 3 -20.247 21.133 -2.139 1.00 1.00 O ATOM 40 CB THR A 3 -20.814 24.458 -2.294 1.00 1.00 C ATOM 41 OG1 THR A 3 -20.976 24.083 -0.914 1.00 1.00 O ATOM 42 CG2 THR A 3 -22.203 24.734 -2.896 1.00 1.00 C ATOM 0 H THR A 3 -19.814 22.719 -5.045 1.00 1.00 H new ATOM 0 HA THR A 3 -18.993 23.378 -2.589 1.00 1.00 H new ATOM 0 HB THR A 3 -20.242 25.379 -2.402 1.00 1.00 H new ATOM 0 HG1 THR A 3 -21.492 24.773 -0.446 1.00 1.00 H new ATOM 0 HG21 THR A 3 -22.703 25.510 -2.316 1.00 1.00 H new ATOM 0 HG22 THR A 3 -22.093 25.066 -3.928 1.00 1.00 H new ATOM 0 HG23 THR A 3 -22.799 23.821 -2.870 1.00 1.00 H new ATOM 50 N LYS A 4 -21.754 21.860 -3.649 1.00 1.00 N ATOM 51 CA LYS A 4 -22.551 20.663 -3.616 1.00 1.00 C ATOM 52 C LYS A 4 -22.076 19.628 -4.643 1.00 1.00 C ATOM 53 O LYS A 4 -21.764 18.503 -4.282 1.00 1.00 O ATOM 54 CB LYS A 4 -24.020 21.018 -3.853 1.00 1.00 C ATOM 55 CG LYS A 4 -24.276 21.923 -5.062 1.00 1.00 C ATOM 56 CD LYS A 4 -25.770 22.094 -5.335 1.00 1.00 C ATOM 57 CE LYS A 4 -26.415 20.788 -5.779 1.00 1.00 C ATOM 58 NZ LYS A 4 -27.855 20.962 -6.130 1.00 1.00 N ATOM 0 H LYS A 4 -22.083 22.563 -4.311 1.00 1.00 H new ATOM 0 HA LYS A 4 -22.439 20.210 -2.631 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -24.586 20.095 -3.982 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -24.409 21.509 -2.961 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -23.824 22.899 -4.888 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -23.791 21.500 -5.942 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -26.265 22.457 -4.434 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -25.915 22.852 -6.105 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -25.877 20.394 -6.642 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -26.324 20.050 -4.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -28.253 20.048 -6.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -28.375 21.313 -5.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -27.942 21.646 -6.908 1.00 1.00 H new ATOM 72 N GLU A 5 -21.948 20.027 -5.907 1.00 1.00 N ATOM 73 CA GLU A 5 -21.528 19.087 -6.952 1.00 1.00 C ATOM 74 C GLU A 5 -20.033 18.765 -6.836 1.00 1.00 C ATOM 75 O GLU A 5 -19.508 17.880 -7.510 1.00 1.00 O ATOM 76 CB GLU A 5 -21.883 19.636 -8.333 1.00 1.00 C ATOM 77 CG GLU A 5 -21.576 18.676 -9.472 1.00 1.00 C ATOM 78 CD GLU A 5 -21.875 19.261 -10.837 1.00 1.00 C ATOM 79 OE1 GLU A 5 -23.057 19.289 -11.229 1.00 1.00 O ATOM 80 OE2 GLU A 5 -20.910 19.681 -11.522 1.00 1.00 O ATOM 0 H GLU A 5 -22.125 20.978 -6.232 1.00 1.00 H new ATOM 0 HA GLU A 5 -22.069 18.151 -6.815 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -22.945 19.882 -8.354 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -21.337 20.565 -8.496 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -20.525 18.392 -9.427 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -22.158 17.764 -9.338 1.00 1.00 H new ATOM 87 N GLU A 6 -19.370 19.457 -5.925 1.00 1.00 N ATOM 88 CA GLU A 6 -17.967 19.242 -5.654 1.00 1.00 C ATOM 89 C GLU A 6 -17.862 17.922 -4.919 1.00 1.00 C ATOM 90 O GLU A 6 -17.080 17.033 -5.252 1.00 1.00 O ATOM 91 CB GLU A 6 -17.474 20.353 -4.737 1.00 1.00 C ATOM 92 CG GLU A 6 -17.382 21.721 -5.398 1.00 1.00 C ATOM 93 CD GLU A 6 -16.552 21.745 -6.669 1.00 1.00 C ATOM 94 OE1 GLU A 6 -15.411 21.257 -6.651 1.00 1.00 O ATOM 95 OE2 GLU A 6 -17.038 22.302 -7.678 1.00 1.00 O ATOM 0 H GLU A 6 -19.796 20.186 -5.352 1.00 1.00 H new ATOM 0 HA GLU A 6 -17.378 19.235 -6.571 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -18.142 20.422 -3.879 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -16.490 20.081 -4.354 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -18.389 22.069 -5.629 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -16.956 22.428 -4.686 1.00 1.00 H new ATOM 102 N LYS A 7 -18.751 17.804 -3.930 1.00 1.00 N ATOM 103 CA LYS A 7 -18.856 16.637 -3.096 1.00 1.00 C ATOM 104 C LYS A 7 -19.375 15.477 -3.926 1.00 1.00 C ATOM 105 O LYS A 7 -18.923 14.347 -3.795 1.00 1.00 O ATOM 106 CB LYS A 7 -19.811 16.949 -1.948 1.00 1.00 C ATOM 107 CG LYS A 7 -19.351 18.108 -1.078 1.00 1.00 C ATOM 108 CD LYS A 7 -20.358 18.426 0.016 1.00 1.00 C ATOM 109 CE LYS A 7 -19.898 19.606 0.856 1.00 1.00 C ATOM 110 NZ LYS A 7 -20.887 19.963 1.909 1.00 1.00 N ATOM 0 H LYS A 7 -19.422 18.536 -3.694 1.00 1.00 H new ATOM 0 HA LYS A 7 -17.883 16.363 -2.689 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -20.795 17.179 -2.356 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -19.923 16.060 -1.327 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -18.389 17.865 -0.627 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -19.198 18.991 -1.699 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -21.327 18.649 -0.431 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -20.495 17.553 0.654 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -18.942 19.367 1.323 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -19.731 20.467 0.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -20.533 20.772 2.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -21.792 20.216 1.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -21.028 19.150 2.543 1.00 1.00 H new ATOM 124 N GLN A 8 -20.321 15.791 -4.794 1.00 1.00 N ATOM 125 CA GLN A 8 -20.899 14.817 -5.705 1.00 1.00 C ATOM 126 C GLN A 8 -19.802 14.118 -6.511 1.00 1.00 C ATOM 127 O GLN A 8 -19.767 12.893 -6.599 1.00 1.00 O ATOM 128 CB GLN A 8 -21.851 15.537 -6.648 1.00 1.00 C ATOM 129 CG GLN A 8 -22.605 14.624 -7.589 1.00 1.00 C ATOM 130 CD GLN A 8 -23.451 15.404 -8.564 1.00 1.00 C ATOM 131 OE1 GLN A 8 -23.018 15.730 -9.656 1.00 1.00 O ATOM 132 NE2 GLN A 8 -24.663 15.724 -8.166 1.00 1.00 N ATOM 0 H GLN A 8 -20.711 16.729 -4.888 1.00 1.00 H new ATOM 0 HA GLN A 8 -21.437 14.061 -5.133 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -22.570 16.104 -6.056 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -21.284 16.258 -7.237 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -21.898 14.002 -8.137 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -23.240 13.952 -7.013 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -24.991 15.433 -7.245 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -25.275 16.263 -8.779 1.00 1.00 H new ATOM 141 N LYS A 9 -18.887 14.914 -7.068 1.00 1.00 N ATOM 142 CA LYS A 9 -17.781 14.374 -7.858 1.00 1.00 C ATOM 143 C LYS A 9 -16.882 13.475 -6.999 1.00 1.00 C ATOM 144 O LYS A 9 -16.386 12.459 -7.470 1.00 1.00 O ATOM 145 CB LYS A 9 -16.963 15.503 -8.488 1.00 1.00 C ATOM 146 CG LYS A 9 -17.783 16.402 -9.401 1.00 1.00 C ATOM 147 CD LYS A 9 -16.957 17.559 -9.940 1.00 1.00 C ATOM 148 CE LYS A 9 -17.837 18.659 -10.522 1.00 1.00 C ATOM 149 NZ LYS A 9 -18.694 18.173 -11.644 1.00 1.00 N ATOM 0 H LYS A 9 -18.890 15.931 -6.987 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.205 13.768 -8.659 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -16.521 16.107 -7.696 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -16.140 15.072 -9.058 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -18.175 15.816 -10.232 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.641 16.792 -8.853 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -16.342 17.971 -9.140 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -16.276 17.193 -10.709 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.471 19.067 -9.735 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.207 19.474 -10.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.390 18.905 -11.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -18.099 17.967 -12.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -19.192 17.308 -11.351 1.00 1.00 H new ATOM 163 N VAL A 10 -16.694 13.850 -5.732 1.00 1.00 N ATOM 164 CA VAL A 10 -15.889 13.053 -4.799 1.00 1.00 C ATOM 165 C VAL A 10 -16.533 11.676 -4.570 1.00 1.00 C ATOM 166 O VAL A 10 -15.855 10.659 -4.426 1.00 1.00 O ATOM 167 CB VAL A 10 -15.732 13.770 -3.435 1.00 1.00 C ATOM 168 CG1 VAL A 10 -14.934 12.925 -2.454 1.00 1.00 C ATOM 169 CG2 VAL A 10 -15.073 15.127 -3.614 1.00 1.00 C ATOM 0 H VAL A 10 -17.087 14.700 -5.327 1.00 1.00 H new ATOM 0 HA VAL A 10 -14.903 12.928 -5.247 1.00 1.00 H new ATOM 0 HB VAL A 10 -16.731 13.916 -3.023 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -14.842 13.457 -1.507 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -15.446 11.977 -2.290 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -13.941 12.735 -2.861 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -14.972 15.613 -2.644 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -14.086 14.997 -4.059 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -15.687 15.746 -4.268 1.00 1.00 H new ATOM 179 N ILE A 11 -17.852 11.660 -4.561 1.00 1.00 N ATOM 180 CA ILE A 11 -18.618 10.431 -4.374 1.00 1.00 C ATOM 181 C ILE A 11 -18.632 9.646 -5.692 1.00 1.00 C ATOM 182 O ILE A 11 -18.679 8.416 -5.713 1.00 1.00 O ATOM 183 CB ILE A 11 -20.037 10.782 -3.892 1.00 1.00 C ATOM 184 CG1 ILE A 11 -20.060 10.900 -2.363 1.00 1.00 C ATOM 185 CG2 ILE A 11 -21.070 9.785 -4.383 1.00 1.00 C ATOM 186 CD1 ILE A 11 -19.202 12.035 -1.855 1.00 1.00 C ATOM 0 H ILE A 11 -18.427 12.494 -4.682 1.00 1.00 H new ATOM 0 HA ILE A 11 -18.159 9.801 -3.613 1.00 1.00 H new ATOM 0 HB ILE A 11 -20.307 11.747 -4.322 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -21.087 11.048 -2.029 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -19.714 9.964 -1.925 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -22.056 10.073 -4.018 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -21.075 9.774 -5.473 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -20.822 8.791 -4.011 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -19.255 12.072 -0.767 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -18.169 11.876 -2.163 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -19.563 12.977 -2.268 1.00 1.00 H new ATOM 198 N GLN A 12 -18.593 10.385 -6.807 1.00 1.00 N ATOM 199 CA GLN A 12 -18.503 9.772 -8.123 1.00 1.00 C ATOM 200 C GLN A 12 -17.159 9.052 -8.227 1.00 1.00 C ATOM 201 O GLN A 12 -17.001 8.100 -8.988 1.00 1.00 O ATOM 202 CB GLN A 12 -18.640 10.817 -9.225 1.00 1.00 C ATOM 203 CG GLN A 12 -20.042 11.384 -9.347 1.00 1.00 C ATOM 204 CD GLN A 12 -20.132 12.456 -10.410 1.00 1.00 C ATOM 205 OE1 GLN A 12 -19.946 13.636 -10.142 1.00 1.00 O ATOM 206 NE2 GLN A 12 -20.405 12.052 -11.632 1.00 1.00 N ATOM 0 H GLN A 12 -18.623 11.405 -6.817 1.00 1.00 H new ATOM 0 HA GLN A 12 -19.318 9.060 -8.251 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -17.942 11.632 -9.032 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -18.353 10.370 -10.177 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -20.738 10.580 -9.584 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -20.349 11.799 -8.387 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -20.554 11.061 -11.820 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -20.467 12.730 -12.391 1.00 1.00 H new ATOM 215 N GLU A 13 -16.171 9.552 -7.488 1.00 1.00 N ATOM 216 CA GLU A 13 -14.879 8.886 -7.412 1.00 1.00 C ATOM 217 C GLU A 13 -15.054 7.676 -6.505 1.00 1.00 C ATOM 218 O GLU A 13 -15.013 6.519 -6.932 1.00 1.00 O ATOM 219 CB GLU A 13 -13.808 9.810 -6.817 1.00 1.00 C ATOM 220 CG GLU A 13 -13.570 11.070 -7.622 1.00 1.00 C ATOM 221 CD GLU A 13 -12.450 11.912 -7.049 1.00 1.00 C ATOM 222 OE1 GLU A 13 -12.726 12.728 -6.145 1.00 1.00 O ATOM 223 OE2 GLU A 13 -11.297 11.752 -7.499 1.00 1.00 O ATOM 0 H GLU A 13 -16.242 10.409 -6.939 1.00 1.00 H new ATOM 0 HA GLU A 13 -14.552 8.602 -8.412 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -14.103 10.087 -5.805 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -12.871 9.259 -6.737 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -13.331 10.802 -8.651 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.487 11.659 -7.651 1.00 1.00 H new ATOM 230 N PHE A 14 -15.273 7.981 -5.242 1.00 1.00 N ATOM 231 CA PHE A 14 -15.512 6.973 -4.212 1.00 1.00 C ATOM 232 C PHE A 14 -16.543 7.525 -3.222 1.00 1.00 C ATOM 233 O PHE A 14 -17.715 7.147 -3.207 1.00 1.00 O ATOM 234 CB PHE A 14 -14.198 6.658 -3.463 1.00 1.00 C ATOM 235 CG PHE A 14 -13.046 6.265 -4.352 1.00 1.00 C ATOM 236 CD1 PHE A 14 -12.911 4.958 -4.785 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.099 7.202 -4.753 1.00 1.00 C ATOM 238 CE1 PHE A 14 -11.855 4.585 -5.594 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.041 6.833 -5.564 1.00 1.00 C ATOM 240 CZ PHE A 14 -10.921 5.523 -5.987 1.00 1.00 C ATOM 0 H PHE A 14 -15.292 8.939 -4.893 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.881 6.057 -4.673 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.908 7.533 -2.881 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.384 5.851 -2.754 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -13.641 4.220 -4.487 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.191 8.228 -4.428 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.760 3.559 -5.919 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -10.310 7.568 -5.866 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.098 5.233 -6.624 1.00 1.00 H new ATOM 250 N ALA A 15 -16.032 8.449 -2.429 1.00 1.00 N ATOM 251 CA ALA A 15 -16.723 9.197 -1.382 1.00 1.00 C ATOM 252 C ALA A 15 -15.632 9.655 -0.430 1.00 1.00 C ATOM 253 O ALA A 15 -14.478 9.276 -0.602 1.00 1.00 O ATOM 254 CB ALA A 15 -17.756 8.379 -0.603 1.00 1.00 C ATOM 0 H ALA A 15 -15.051 8.720 -2.501 1.00 1.00 H new ATOM 0 HA ALA A 15 -17.287 10.010 -1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -18.223 9.009 0.155 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -18.519 8.010 -1.288 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -17.263 7.535 -0.120 1.00 1.00 H new ATOM 260 N ARG A 16 -15.940 10.476 0.534 1.00 1.00 N ATOM 261 CA ARG A 16 -14.913 10.874 1.493 1.00 1.00 C ATOM 262 C ARG A 16 -15.552 11.248 2.815 1.00 1.00 C ATOM 263 O ARG A 16 -15.022 12.023 3.604 1.00 1.00 O ATOM 264 CB ARG A 16 -14.044 12.012 0.959 1.00 1.00 C ATOM 265 CG ARG A 16 -12.772 12.233 1.774 1.00 1.00 C ATOM 266 CD ARG A 16 -11.834 11.027 1.702 1.00 1.00 C ATOM 267 NE ARG A 16 -10.724 11.114 2.661 1.00 1.00 N ATOM 268 CZ ARG A 16 -9.460 11.004 2.351 1.00 1.00 C ATOM 269 NH1 ARG A 16 -9.079 10.954 1.115 1.00 1.00 N ATOM 270 NH2 ARG A 16 -8.576 10.974 3.295 1.00 1.00 N ATOM 0 H ARG A 16 -16.864 10.881 0.687 1.00 1.00 H new ATOM 0 HA ARG A 16 -14.253 10.021 1.652 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -13.772 11.798 -0.075 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -14.627 12.933 0.952 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -12.254 13.119 1.406 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -13.036 12.427 2.814 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -12.403 10.117 1.893 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -11.431 10.945 0.693 1.00 1.00 H new ATOM 0 HE ARG A 16 -10.958 11.272 3.641 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -9.770 11.001 0.366 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -8.088 10.868 0.890 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -8.869 11.036 4.270 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -7.586 10.888 3.064 1.00 1.00 H new ATOM 284 N PHE A 17 -16.690 10.655 3.057 1.00 1.00 N ATOM 285 CA PHE A 17 -17.423 10.904 4.272 1.00 1.00 C ATOM 286 C PHE A 17 -17.600 9.579 5.003 1.00 1.00 C ATOM 287 O PHE A 17 -17.725 8.534 4.360 1.00 1.00 O ATOM 288 CB PHE A 17 -18.760 11.578 3.951 1.00 1.00 C ATOM 289 CG PHE A 17 -18.608 12.880 3.203 1.00 1.00 C ATOM 290 CD1 PHE A 17 -18.134 14.017 3.844 1.00 1.00 C ATOM 291 CD2 PHE A 17 -18.939 12.966 1.859 1.00 1.00 C ATOM 292 CE1 PHE A 17 -17.994 15.210 3.157 1.00 1.00 C ATOM 293 CE2 PHE A 17 -18.801 14.156 1.169 1.00 1.00 C ATOM 294 CZ PHE A 17 -18.329 15.279 1.819 1.00 1.00 C ATOM 0 H PHE A 17 -17.134 9.990 2.424 1.00 1.00 H new ATOM 0 HA PHE A 17 -16.878 11.588 4.923 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -19.370 10.896 3.359 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -19.299 11.762 4.881 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -17.872 13.970 4.891 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -19.310 12.092 1.345 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -17.623 16.087 3.667 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -19.062 14.207 0.122 1.00 1.00 H new ATOM 0 HZ PHE A 17 -18.222 16.210 1.282 1.00 1.00 H new ATOM 304 N PRO A 18 -17.578 9.592 6.339 1.00 1.00 N ATOM 305 CA PRO A 18 -17.693 8.371 7.147 1.00 1.00 C ATOM 306 C PRO A 18 -18.826 7.447 6.717 1.00 1.00 C ATOM 307 O PRO A 18 -19.992 7.669 7.034 1.00 1.00 O ATOM 308 CB PRO A 18 -17.923 8.900 8.555 1.00 1.00 C ATOM 309 CG PRO A 18 -17.257 10.231 8.558 1.00 1.00 C ATOM 310 CD PRO A 18 -17.457 10.795 7.177 1.00 1.00 C ATOM 0 HA PRO A 18 -16.805 7.748 7.046 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -18.986 8.986 8.779 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -17.492 8.237 9.305 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -17.693 10.884 9.314 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -16.197 10.137 8.792 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -18.351 11.417 7.121 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -16.616 11.417 6.870 1.00 1.00 H new ATOM 318 N GLY A 19 -18.453 6.412 5.973 1.00 1.00 N ATOM 319 CA GLY A 19 -19.414 5.445 5.493 1.00 1.00 C ATOM 320 C GLY A 19 -20.492 6.042 4.587 1.00 1.00 C ATOM 321 O GLY A 19 -21.639 5.616 4.649 1.00 1.00 O ATOM 0 H GLY A 19 -17.490 6.227 5.693 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -18.886 4.663 4.947 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -19.894 4.969 6.348 1.00 1.00 H new ATOM 325 N ASP A 20 -20.150 6.996 3.717 1.00 1.00 N ATOM 326 CA ASP A 20 -21.185 7.598 2.852 1.00 1.00 C ATOM 327 C ASP A 20 -21.605 6.617 1.751 1.00 1.00 C ATOM 328 O ASP A 20 -22.758 6.562 1.334 1.00 1.00 O ATOM 329 CB ASP A 20 -20.713 8.926 2.261 1.00 1.00 C ATOM 330 CG ASP A 20 -21.722 9.518 1.303 1.00 1.00 C ATOM 331 OD1 ASP A 20 -22.589 10.289 1.760 1.00 1.00 O ATOM 332 OD2 ASP A 20 -21.638 9.220 0.095 1.00 1.00 O ATOM 0 H ASP A 20 -19.206 7.361 3.589 1.00 1.00 H new ATOM 0 HA ASP A 20 -22.059 7.810 3.469 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -20.523 9.633 3.068 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -19.767 8.774 1.741 1.00 1.00 H new ATOM 337 N THR A 21 -20.654 5.812 1.309 1.00 1.00 N ATOM 338 CA THR A 21 -20.909 4.811 0.304 1.00 1.00 C ATOM 339 C THR A 21 -20.564 3.461 0.909 1.00 1.00 C ATOM 340 O THR A 21 -20.581 2.432 0.252 1.00 1.00 O ATOM 341 CB THR A 21 -20.039 5.067 -0.946 1.00 1.00 C ATOM 342 OG1 THR A 21 -20.435 4.212 -2.026 1.00 1.00 O ATOM 343 CG2 THR A 21 -18.559 4.852 -0.640 1.00 1.00 C ATOM 0 H THR A 21 -19.689 5.839 1.639 1.00 1.00 H new ATOM 0 HA THR A 21 -21.954 4.842 -0.005 1.00 1.00 H new ATOM 0 HB THR A 21 -20.188 6.106 -1.241 1.00 1.00 H new ATOM 0 HG1 THR A 21 -20.582 4.750 -2.832 1.00 1.00 H new ATOM 0 HG21 THR A 21 -17.971 5.039 -1.538 1.00 1.00 H new ATOM 0 HG22 THR A 21 -18.247 5.538 0.148 1.00 1.00 H new ATOM 0 HG23 THR A 21 -18.401 3.825 -0.310 1.00 1.00 H new ATOM 351 N GLY A 22 -20.316 3.499 2.215 1.00 1.00 N ATOM 352 CA GLY A 22 -19.876 2.329 2.944 1.00 1.00 C ATOM 353 C GLY A 22 -18.477 2.578 3.484 1.00 1.00 C ATOM 354 O GLY A 22 -18.118 2.153 4.577 1.00 1.00 O ATOM 0 H GLY A 22 -20.415 4.337 2.788 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -20.563 2.116 3.763 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -19.877 1.456 2.291 1.00 1.00 H new ATOM 358 N SER A 23 -17.702 3.287 2.666 1.00 1.00 N ATOM 359 CA SER A 23 -16.316 3.698 2.982 1.00 1.00 C ATOM 360 C SER A 23 -15.323 2.540 2.912 1.00 1.00 C ATOM 361 O SER A 23 -14.141 2.706 3.194 1.00 1.00 O ATOM 362 CB SER A 23 -16.221 4.418 4.334 1.00 1.00 C ATOM 363 OG SER A 23 -14.908 4.909 4.565 1.00 1.00 O ATOM 0 H SER A 23 -18.015 3.602 1.748 1.00 1.00 H new ATOM 0 HA SER A 23 -16.035 4.408 2.204 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.931 5.245 4.359 1.00 1.00 H new ATOM 0 HB3 SER A 23 -16.502 3.733 5.134 1.00 1.00 H new ATOM 0 HG SER A 23 -14.255 4.298 4.164 1.00 1.00 H new ATOM 369 N THR A 24 -15.797 1.385 2.488 1.00 1.00 N ATOM 370 CA THR A 24 -14.938 0.214 2.336 1.00 1.00 C ATOM 371 C THR A 24 -14.069 0.419 1.100 1.00 1.00 C ATOM 372 O THR A 24 -12.855 0.212 1.108 1.00 1.00 O ATOM 373 CB THR A 24 -15.788 -1.059 2.178 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.786 -1.099 3.210 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.933 -2.307 2.256 1.00 1.00 C ATOM 0 H THR A 24 -16.774 1.226 2.241 1.00 1.00 H new ATOM 0 HA THR A 24 -14.314 0.095 3.221 1.00 1.00 H new ATOM 0 HB THR A 24 -16.262 -1.031 1.197 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.329 -1.909 3.109 1.00 1.00 H new ATOM 0 HG21 THR A 24 -15.564 -3.188 2.141 1.00 1.00 H new ATOM 0 HG22 THR A 24 -14.188 -2.288 1.461 1.00 1.00 H new ATOM 0 HG23 THR A 24 -14.431 -2.344 3.223 1.00 1.00 H new ATOM 383 N GLU A 25 -14.729 0.893 0.057 1.00 1.00 N ATOM 384 CA GLU A 25 -14.108 1.224 -1.217 1.00 1.00 C ATOM 385 C GLU A 25 -13.143 2.370 -0.972 1.00 1.00 C ATOM 386 O GLU A 25 -11.985 2.371 -1.385 1.00 1.00 O ATOM 387 CB GLU A 25 -15.185 1.721 -2.198 1.00 1.00 C ATOM 388 CG GLU A 25 -16.402 0.813 -2.369 1.00 1.00 C ATOM 389 CD GLU A 25 -17.325 0.756 -1.161 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.190 1.605 -0.246 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.190 -0.137 -1.136 1.00 1.00 O ATOM 0 H GLU A 25 -15.735 1.063 0.071 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.603 0.350 -1.628 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.530 2.699 -1.863 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.722 1.863 -3.174 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.975 1.154 -3.231 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.057 -0.196 -2.594 1.00 1.00 H new ATOM 398 N VAL A 26 -13.686 3.335 -0.253 1.00 1.00 N ATOM 399 CA VAL A 26 -13.005 4.553 0.134 1.00 1.00 C ATOM 400 C VAL A 26 -11.734 4.280 0.940 1.00 1.00 C ATOM 401 O VAL A 26 -10.693 4.875 0.677 1.00 1.00 O ATOM 402 CB VAL A 26 -13.973 5.419 0.967 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.289 6.609 1.612 1.00 1.00 C ATOM 404 CG2 VAL A 26 -15.132 5.884 0.105 1.00 1.00 C ATOM 0 H VAL A 26 -14.646 3.289 0.088 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.702 5.074 -0.774 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.346 4.791 1.776 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.018 7.181 2.185 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -12.500 6.259 2.277 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.857 7.243 0.838 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -15.809 6.494 0.703 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -14.752 6.475 -0.728 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -15.670 5.018 -0.280 1.00 1.00 H new ATOM 414 N GLN A 27 -11.792 3.351 1.891 1.00 1.00 N ATOM 415 CA GLN A 27 -10.615 3.082 2.707 1.00 1.00 C ATOM 416 C GLN A 27 -9.578 2.238 1.957 1.00 1.00 C ATOM 417 O GLN A 27 -8.394 2.302 2.263 1.00 1.00 O ATOM 418 CB GLN A 27 -10.973 2.486 4.064 1.00 1.00 C ATOM 419 CG GLN A 27 -11.557 1.088 4.031 1.00 1.00 C ATOM 420 CD GLN A 27 -11.938 0.602 5.417 1.00 1.00 C ATOM 421 OE1 GLN A 27 -13.053 0.800 5.874 1.00 1.00 O ATOM 422 NE2 GLN A 27 -11.007 -0.033 6.102 1.00 1.00 N ATOM 0 H GLN A 27 -12.614 2.789 2.110 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.149 4.046 2.910 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -10.076 2.471 4.683 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.687 3.147 4.554 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.437 1.077 3.388 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.833 0.402 3.592 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.085 -0.183 5.692 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.209 -0.375 7.042 1.00 1.00 H new ATOM 431 N VAL A 28 -10.013 1.445 0.981 1.00 1.00 N ATOM 432 CA VAL A 28 -9.065 0.695 0.160 1.00 1.00 C ATOM 433 C VAL A 28 -8.444 1.669 -0.836 1.00 1.00 C ATOM 434 O VAL A 28 -7.280 1.547 -1.226 1.00 1.00 O ATOM 435 CB VAL A 28 -9.720 -0.481 -0.590 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.727 -1.169 -1.519 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.294 -1.481 0.395 1.00 1.00 C ATOM 0 H VAL A 28 -10.995 1.306 0.742 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.311 0.256 0.813 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.529 -0.078 -1.200 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.221 -1.994 -2.033 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.359 -0.452 -2.253 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.890 -1.554 -0.936 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.753 -2.306 -0.150 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.496 -1.865 1.030 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.046 -0.992 1.014 1.00 1.00 H new ATOM 447 N ALA A 29 -9.235 2.662 -1.221 1.00 1.00 N ATOM 448 CA ALA A 29 -8.768 3.702 -2.119 1.00 1.00 C ATOM 449 C ALA A 29 -7.648 4.472 -1.441 1.00 1.00 C ATOM 450 O ALA A 29 -6.589 4.703 -2.017 1.00 1.00 O ATOM 451 CB ALA A 29 -9.899 4.648 -2.490 1.00 1.00 C ATOM 0 H ALA A 29 -10.205 2.766 -0.923 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.401 3.241 -3.036 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.523 5.418 -3.164 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.693 4.089 -2.985 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.293 5.116 -1.588 1.00 1.00 H new ATOM 457 N LEU A 30 -7.874 4.832 -0.189 1.00 1.00 N ATOM 458 CA LEU A 30 -6.866 5.560 0.555 1.00 1.00 C ATOM 459 C LEU A 30 -5.718 4.628 0.983 1.00 1.00 C ATOM 460 O LEU A 30 -4.574 5.061 1.092 1.00 1.00 O ATOM 461 CB LEU A 30 -7.494 6.311 1.744 1.00 1.00 C ATOM 462 CG LEU A 30 -8.046 5.463 2.903 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.955 5.087 3.902 1.00 1.00 C ATOM 464 CD2 LEU A 30 -9.165 6.222 3.609 1.00 1.00 C ATOM 0 H LEU A 30 -8.733 4.635 0.325 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.430 6.316 -0.099 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.743 6.988 2.150 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.306 6.929 1.361 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.438 4.537 2.483 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -7.387 4.489 4.704 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -6.181 4.510 3.396 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.517 5.993 4.321 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.553 5.618 4.429 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.776 7.161 4.003 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.967 6.430 2.901 1.00 1.00 H new ATOM 476 N LEU A 31 -6.014 3.340 1.176 1.00 1.00 N ATOM 477 CA LEU A 31 -4.990 2.377 1.563 1.00 1.00 C ATOM 478 C LEU A 31 -4.023 2.177 0.387 1.00 1.00 C ATOM 479 O LEU A 31 -2.803 2.183 0.546 1.00 1.00 O ATOM 480 CB LEU A 31 -5.648 1.066 2.070 1.00 1.00 C ATOM 481 CG LEU A 31 -5.837 -0.136 1.091 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.523 -0.796 0.700 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.743 -1.178 1.732 1.00 1.00 C ATOM 0 H LEU A 31 -6.949 2.946 1.071 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.400 2.751 2.400 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.055 0.709 2.912 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.632 1.326 2.460 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.285 0.265 0.182 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.720 -1.624 0.019 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.881 -0.066 0.207 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.025 -1.172 1.594 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.874 -2.016 1.048 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.291 -1.533 2.658 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.713 -0.732 1.950 1.00 1.00 H new ATOM 495 N THR A 32 -4.582 2.070 -0.808 1.00 1.00 N ATOM 496 CA THR A 32 -3.777 1.894 -2.008 1.00 1.00 C ATOM 497 C THR A 32 -3.070 3.203 -2.368 1.00 1.00 C ATOM 498 O THR A 32 -1.980 3.189 -2.930 1.00 1.00 O ATOM 499 CB THR A 32 -4.628 1.392 -3.187 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.380 0.235 -2.780 1.00 1.00 O ATOM 501 CG2 THR A 32 -3.749 1.028 -4.371 1.00 1.00 C ATOM 0 H THR A 32 -5.588 2.102 -0.974 1.00 1.00 H new ATOM 0 HA THR A 32 -3.023 1.134 -1.801 1.00 1.00 H new ATOM 0 HB THR A 32 -5.306 2.191 -3.487 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.111 0.511 -2.188 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.373 0.676 -5.193 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.189 1.906 -4.692 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.054 0.241 -4.080 1.00 1.00 H new ATOM 509 N LEU A 33 -3.687 4.337 -2.030 1.00 1.00 N ATOM 510 CA LEU A 33 -3.065 5.641 -2.271 1.00 1.00 C ATOM 511 C LEU A 33 -1.790 5.756 -1.425 1.00 1.00 C ATOM 512 O LEU A 33 -0.798 6.354 -1.846 1.00 1.00 O ATOM 513 CB LEU A 33 -4.036 6.777 -1.936 1.00 1.00 C ATOM 514 CG LEU A 33 -3.506 8.196 -2.181 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.186 8.414 -3.654 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.518 9.225 -1.699 1.00 1.00 C ATOM 0 H LEU A 33 -4.608 4.380 -1.593 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.808 5.724 -3.327 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.943 6.641 -2.524 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.320 6.691 -0.887 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.583 8.318 -1.615 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.812 9.428 -3.799 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.427 7.699 -3.971 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.089 8.272 -4.247 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -4.131 10.228 -1.878 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.455 9.096 -2.241 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.695 9.090 -0.632 1.00 1.00 H new ATOM 528 N ARG A 34 -1.819 5.170 -0.222 1.00 1.00 N ATOM 529 CA ARG A 34 -0.642 5.164 0.646 1.00 1.00 C ATOM 530 C ARG A 34 0.456 4.331 -0.018 1.00 1.00 C ATOM 531 O ARG A 34 1.600 4.767 -0.123 1.00 1.00 O ATOM 532 CB ARG A 34 -0.969 4.603 2.033 1.00 1.00 C ATOM 533 CG ARG A 34 -2.011 5.414 2.785 1.00 1.00 C ATOM 534 CD ARG A 34 -1.576 6.869 2.956 1.00 1.00 C ATOM 535 NE ARG A 34 -2.650 7.710 3.502 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.697 9.009 3.402 1.00 1.00 C ATOM 537 NH1 ARG A 34 -1.722 9.668 2.873 1.00 1.00 N ATOM 538 NH2 ARG A 34 -3.725 9.646 3.855 1.00 1.00 N ATOM 0 H ARG A 34 -2.636 4.700 0.167 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.302 6.190 0.784 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.325 3.578 1.927 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.055 4.563 2.625 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.958 5.378 2.247 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.183 4.968 3.764 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.711 6.912 3.618 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.260 7.267 1.992 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.413 7.245 3.994 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.900 9.173 2.526 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -1.773 10.684 2.801 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -4.493 9.133 4.288 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.769 10.662 3.780 1.00 1.00 H new ATOM 552 N ILE A 35 0.084 3.130 -0.477 1.00 1.00 N ATOM 553 CA ILE A 35 1.015 2.254 -1.194 1.00 1.00 C ATOM 554 C ILE A 35 1.583 3.010 -2.396 1.00 1.00 C ATOM 555 O ILE A 35 2.792 3.132 -2.572 1.00 1.00 O ATOM 556 CB ILE A 35 0.309 0.979 -1.737 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.398 0.213 -0.615 1.00 1.00 C ATOM 558 CG2 ILE A 35 1.306 0.074 -2.453 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.172 -1.004 -1.094 1.00 1.00 C ATOM 0 H ILE A 35 -0.853 2.744 -0.364 1.00 1.00 H new ATOM 0 HA ILE A 35 1.795 1.958 -0.492 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.447 1.299 -2.454 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.344 -0.105 0.118 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.083 0.889 -0.103 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.791 -0.812 -2.825 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.751 0.613 -3.289 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.089 -0.227 -1.757 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.644 -1.493 -0.242 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.938 -0.692 -1.804 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.489 -1.701 -1.580 1.00 1.00 H new ATOM 571 N ASN A 36 0.656 3.555 -3.173 1.00 1.00 N ATOM 572 CA ASN A 36 0.941 4.309 -4.390 1.00 1.00 C ATOM 573 C ASN A 36 1.988 5.410 -4.198 1.00 1.00 C ATOM 574 O ASN A 36 3.021 5.410 -4.866 1.00 1.00 O ATOM 575 CB ASN A 36 -0.366 4.930 -4.892 1.00 1.00 C ATOM 576 CG ASN A 36 -0.204 5.768 -6.140 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.023 6.974 -6.073 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.302 5.137 -7.291 1.00 1.00 N ATOM 0 H ASN A 36 -0.341 3.484 -2.970 1.00 1.00 H new ATOM 0 HA ASN A 36 1.360 3.611 -5.115 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.083 4.133 -5.091 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.790 5.550 -4.102 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.227 5.657 -8.165 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.453 4.128 -7.308 1.00 1.00 H new ATOM 585 N ARG A 37 1.764 6.317 -3.259 1.00 1.00 N ATOM 586 CA ARG A 37 2.704 7.417 -3.085 1.00 1.00 C ATOM 587 C ARG A 37 3.978 6.956 -2.389 1.00 1.00 C ATOM 588 O ARG A 37 5.025 7.578 -2.534 1.00 1.00 O ATOM 589 CB ARG A 37 2.074 8.592 -2.344 1.00 1.00 C ATOM 590 CG ARG A 37 0.849 9.140 -3.053 1.00 1.00 C ATOM 591 CD ARG A 37 0.466 10.529 -2.538 1.00 1.00 C ATOM 592 NE ARG A 37 1.495 11.542 -2.844 1.00 1.00 N ATOM 593 CZ ARG A 37 1.496 12.777 -2.405 1.00 1.00 C ATOM 594 NH1 ARG A 37 0.553 13.217 -1.637 1.00 1.00 N ATOM 595 NH2 ARG A 37 2.465 13.572 -2.734 1.00 1.00 N ATOM 0 H ARG A 37 0.966 6.318 -2.623 1.00 1.00 H new ATOM 0 HA ARG A 37 2.972 7.765 -4.083 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.796 8.276 -1.339 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.812 9.386 -2.236 1.00 1.00 H new ATOM 0 HG2 ARG A 37 1.042 9.191 -4.125 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.012 8.457 -2.912 1.00 1.00 H new ATOM 0 HD2 ARG A 37 -0.482 10.831 -2.983 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.312 10.485 -1.460 1.00 1.00 H new ATOM 0 HE ARG A 37 2.268 11.258 -3.446 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -0.211 12.599 -1.362 1.00 1.00 H new ATOM 0 HH12 ARG A 37 0.573 14.182 -1.306 1.00 1.00 H new ATOM 0 HH21 ARG A 37 3.220 13.235 -3.331 1.00 1.00 H new ATOM 0 HH22 ARG A 37 2.472 14.534 -2.396 1.00 1.00 H new ATOM 609 N LEU A 38 3.905 5.850 -1.650 1.00 1.00 N ATOM 610 CA LEU A 38 5.076 5.328 -0.981 1.00 1.00 C ATOM 611 C LEU A 38 5.969 4.657 -2.016 1.00 1.00 C ATOM 612 O LEU A 38 7.188 4.804 -1.998 1.00 1.00 O ATOM 613 CB LEU A 38 4.664 4.354 0.114 1.00 1.00 C ATOM 614 CG LEU A 38 5.803 3.830 0.989 1.00 1.00 C ATOM 615 CD1 LEU A 38 6.594 4.977 1.605 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.250 2.929 2.077 1.00 1.00 C ATOM 0 H LEU A 38 3.053 5.309 -1.505 1.00 1.00 H new ATOM 0 HA LEU A 38 5.631 6.137 -0.506 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.932 4.844 0.756 1.00 1.00 H new ATOM 0 HB3 LEU A 38 4.164 3.504 -0.349 1.00 1.00 H new ATOM 0 HG LEU A 38 6.481 3.254 0.359 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.397 4.575 2.222 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.019 5.593 0.812 1.00 1.00 H new ATOM 0 HD13 LEU A 38 5.932 5.585 2.222 1.00 1.00 H new ATOM 0 HD21 LEU A 38 6.069 2.560 2.695 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.553 3.493 2.697 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.731 2.085 1.622 1.00 1.00 H new ATOM 628 N SER A 39 5.341 3.942 -2.939 1.00 1.00 N ATOM 629 CA SER A 39 6.060 3.302 -4.030 1.00 1.00 C ATOM 630 C SER A 39 6.808 4.345 -4.852 1.00 1.00 C ATOM 631 O SER A 39 7.994 4.203 -5.115 1.00 1.00 O ATOM 632 CB SER A 39 5.098 2.566 -4.965 1.00 1.00 C ATOM 633 OG SER A 39 4.387 1.539 -4.297 1.00 1.00 O ATOM 0 H SER A 39 4.332 3.791 -2.953 1.00 1.00 H new ATOM 0 HA SER A 39 6.758 2.591 -3.588 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.391 3.278 -5.391 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.658 2.137 -5.796 1.00 1.00 H new ATOM 0 HG SER A 39 3.774 1.937 -3.644 1.00 1.00 H new ATOM 639 N GLU A 40 6.124 5.427 -5.216 1.00 1.00 N ATOM 640 CA GLU A 40 6.750 6.463 -6.044 1.00 1.00 C ATOM 641 C GLU A 40 7.688 7.341 -5.228 1.00 1.00 C ATOM 642 O GLU A 40 8.459 8.130 -5.771 1.00 1.00 O ATOM 643 CB GLU A 40 5.712 7.286 -6.780 1.00 1.00 C ATOM 644 CG GLU A 40 4.850 6.424 -7.675 1.00 1.00 C ATOM 645 CD GLU A 40 3.991 7.236 -8.607 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.043 7.880 -8.125 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.275 7.222 -9.823 1.00 1.00 O ATOM 0 H GLU A 40 5.154 5.611 -4.958 1.00 1.00 H new ATOM 0 HA GLU A 40 7.356 5.957 -6.796 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.082 7.807 -6.059 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.209 8.049 -7.378 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.488 5.761 -8.260 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.212 5.790 -7.059 1.00 1.00 H new ATOM 654 N HIS A 41 7.606 7.217 -3.913 1.00 1.00 N ATOM 655 CA HIS A 41 8.516 7.907 -3.035 1.00 1.00 C ATOM 656 C HIS A 41 9.837 7.141 -3.088 1.00 1.00 C ATOM 657 O HIS A 41 10.899 7.707 -3.323 1.00 1.00 O ATOM 658 CB HIS A 41 7.949 7.915 -1.618 1.00 1.00 C ATOM 659 CG HIS A 41 8.746 8.711 -0.634 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.647 10.075 -0.495 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.651 8.305 0.294 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.471 10.450 0.487 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.103 9.414 0.999 1.00 1.00 N ATOM 0 H HIS A 41 6.913 6.641 -3.436 1.00 1.00 H new ATOM 0 HA HIS A 41 8.663 8.944 -3.337 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.934 8.311 -1.649 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.879 6.887 -1.263 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.968 7.286 0.457 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.602 11.470 0.818 1.00 1.00 H new ATOM 0 HE2 HIS A 41 10.785 9.424 1.758 1.00 1.00 H new ATOM 671 N LEU A 42 9.722 5.820 -2.947 1.00 1.00 N ATOM 672 CA LEU A 42 10.874 4.922 -2.991 1.00 1.00 C ATOM 673 C LEU A 42 11.393 4.724 -4.434 1.00 1.00 C ATOM 674 O LEU A 42 12.451 4.138 -4.640 1.00 1.00 O ATOM 675 CB LEU A 42 10.509 3.572 -2.368 1.00 1.00 C ATOM 676 CG LEU A 42 9.968 3.629 -0.930 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.640 2.228 -0.436 1.00 1.00 C ATOM 678 CD2 LEU A 42 10.960 4.301 0.012 1.00 1.00 C ATOM 0 H LEU A 42 8.831 5.345 -2.800 1.00 1.00 H new ATOM 0 HA LEU A 42 11.677 5.381 -2.414 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.762 3.091 -2.999 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.394 2.936 -2.379 1.00 1.00 H new ATOM 0 HG LEU A 42 9.057 4.227 -0.939 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.258 2.282 0.583 1.00 1.00 H new ATOM 0 HD12 LEU A 42 8.885 1.781 -1.083 1.00 1.00 H new ATOM 0 HD13 LEU A 42 10.542 1.616 -0.454 1.00 1.00 H new ATOM 0 HD21 LEU A 42 10.546 4.325 1.020 1.00 1.00 H new ATOM 0 HD22 LEU A 42 11.895 3.740 0.017 1.00 1.00 H new ATOM 0 HD23 LEU A 42 11.150 5.320 -0.326 1.00 1.00 H new ATOM 690 N LYS A 43 10.642 5.205 -5.440 1.00 1.00 N ATOM 691 CA LYS A 43 11.099 5.114 -6.844 1.00 1.00 C ATOM 692 C LYS A 43 12.067 6.256 -7.126 1.00 1.00 C ATOM 693 O LYS A 43 12.600 6.420 -8.226 1.00 1.00 O ATOM 694 CB LYS A 43 9.940 5.156 -7.838 1.00 1.00 C ATOM 695 CG LYS A 43 9.126 3.876 -7.860 1.00 1.00 C ATOM 696 CD LYS A 43 7.986 3.957 -8.864 1.00 1.00 C ATOM 697 CE LYS A 43 7.155 2.685 -8.866 1.00 1.00 C ATOM 698 NZ LYS A 43 6.003 2.777 -9.803 1.00 1.00 N ATOM 0 H LYS A 43 9.734 5.652 -5.316 1.00 1.00 H new ATOM 0 HA LYS A 43 11.595 4.152 -6.974 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.286 5.991 -7.588 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.333 5.347 -8.837 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.774 3.036 -8.111 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.723 3.683 -6.866 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.349 4.809 -8.625 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.390 4.131 -9.861 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.784 1.840 -9.146 1.00 1.00 H new ATOM 0 HE3 LYS A 43 6.789 2.489 -7.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 5.461 1.890 -9.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 5.388 3.567 -9.521 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.353 2.939 -10.769 1.00 1.00 H new ATOM 712 N VAL A 44 12.263 7.054 -6.098 1.00 1.00 N ATOM 713 CA VAL A 44 13.176 8.173 -6.113 1.00 1.00 C ATOM 714 C VAL A 44 14.150 7.944 -4.968 1.00 1.00 C ATOM 715 O VAL A 44 15.374 7.900 -5.143 1.00 1.00 O ATOM 716 CB VAL A 44 12.440 9.514 -5.907 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.426 10.667 -5.882 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.389 9.736 -6.985 1.00 1.00 C ATOM 0 H VAL A 44 11.779 6.938 -5.208 1.00 1.00 H new ATOM 0 HA VAL A 44 13.680 8.234 -7.078 1.00 1.00 H new ATOM 0 HB VAL A 44 11.931 9.471 -4.944 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.887 11.603 -5.736 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.133 10.524 -5.065 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.967 10.704 -6.827 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.887 10.688 -6.813 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.869 9.750 -7.964 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.657 8.929 -6.951 1.00 1.00 H new ATOM 728 N HIS A 45 13.561 7.721 -3.802 1.00 1.00 N ATOM 729 CA HIS A 45 14.299 7.432 -2.590 1.00 1.00 C ATOM 730 C HIS A 45 14.668 5.963 -2.548 1.00 1.00 C ATOM 731 O HIS A 45 13.937 5.128 -2.021 1.00 1.00 O ATOM 732 CB HIS A 45 13.474 7.796 -1.368 1.00 1.00 C ATOM 733 CG HIS A 45 13.420 9.263 -1.122 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.408 9.967 -0.475 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.468 10.169 -1.454 1.00 1.00 C ATOM 736 CE1 HIS A 45 14.032 11.248 -0.426 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.864 11.426 -1.007 1.00 1.00 N ATOM 0 H HIS A 45 12.549 7.737 -3.674 1.00 1.00 H new ATOM 0 HA HIS A 45 15.211 8.029 -2.585 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.460 7.416 -1.494 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.893 7.301 -0.492 1.00 1.00 H new ATOM 0 HD1 HIS A 45 15.274 9.580 -0.099 1.00 1.00 H new ATOM 0 HD2 HIS A 45 11.551 9.951 -1.980 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.612 12.036 0.031 1.00 1.00 H new ATOM 745 N LYS A 46 15.795 5.655 -3.136 1.00 1.00 N ATOM 746 CA LYS A 46 16.271 4.288 -3.186 1.00 1.00 C ATOM 747 C LYS A 46 17.571 4.137 -2.398 1.00 1.00 C ATOM 748 O LYS A 46 18.014 3.038 -2.100 1.00 1.00 O ATOM 749 CB LYS A 46 16.443 3.868 -4.640 1.00 1.00 C ATOM 750 CG LYS A 46 17.297 4.826 -5.460 1.00 1.00 C ATOM 751 CD LYS A 46 17.326 4.415 -6.922 1.00 1.00 C ATOM 752 CE LYS A 46 18.132 5.385 -7.772 1.00 1.00 C ATOM 753 NZ LYS A 46 17.564 6.763 -7.752 1.00 1.00 N ATOM 0 H LYS A 46 16.406 6.333 -3.591 1.00 1.00 H new ATOM 0 HA LYS A 46 15.537 3.631 -2.719 1.00 1.00 H new ATOM 0 HB2 LYS A 46 16.894 2.876 -4.671 1.00 1.00 H new ATOM 0 HB3 LYS A 46 15.460 3.785 -5.103 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.902 5.838 -5.371 1.00 1.00 H new ATOM 0 HG3 LYS A 46 18.312 4.844 -5.064 1.00 1.00 H new ATOM 0 HD2 LYS A 46 17.753 3.416 -7.009 1.00 1.00 H new ATOM 0 HD3 LYS A 46 16.306 4.360 -7.303 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.160 5.413 -7.411 1.00 1.00 H new ATOM 0 HE3 LYS A 46 18.165 5.023 -8.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 18.003 7.331 -8.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 16.537 6.717 -7.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 17.755 7.204 -6.830 1.00 1.00 H new ATOM 767 N LYS A 47 18.180 5.264 -2.067 1.00 1.00 N ATOM 768 CA LYS A 47 19.412 5.262 -1.281 1.00 1.00 C ATOM 769 C LYS A 47 19.077 5.330 0.204 1.00 1.00 C ATOM 770 O LYS A 47 19.853 4.910 1.052 1.00 1.00 O ATOM 771 CB LYS A 47 20.271 6.489 -1.623 1.00 1.00 C ATOM 772 CG LYS A 47 19.726 7.781 -1.007 1.00 1.00 C ATOM 773 CD LYS A 47 20.484 9.019 -1.452 1.00 1.00 C ATOM 774 CE LYS A 47 19.991 10.264 -0.716 1.00 1.00 C ATOM 775 NZ LYS A 47 18.526 10.492 -0.892 1.00 1.00 N ATOM 0 H LYS A 47 17.846 6.192 -2.328 1.00 1.00 H new ATOM 0 HA LYS A 47 19.958 4.347 -1.513 1.00 1.00 H new ATOM 0 HB2 LYS A 47 21.289 6.324 -1.271 1.00 1.00 H new ATOM 0 HB3 LYS A 47 20.323 6.601 -2.706 1.00 1.00 H new ATOM 0 HG2 LYS A 47 18.675 7.890 -1.276 1.00 1.00 H new ATOM 0 HG3 LYS A 47 19.771 7.706 0.079 1.00 1.00 H new ATOM 0 HD2 LYS A 47 21.549 8.882 -1.267 1.00 1.00 H new ATOM 0 HD3 LYS A 47 20.362 9.156 -2.526 1.00 1.00 H new ATOM 0 HE2 LYS A 47 20.215 10.166 0.346 1.00 1.00 H new ATOM 0 HE3 LYS A 47 20.537 11.135 -1.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.259 11.392 -0.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.300 10.529 -1.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.998 9.714 -0.447 1.00 1.00 H new ATOM 789 N ASP A 48 17.885 5.829 0.492 1.00 1.00 N ATOM 790 CA ASP A 48 17.458 6.065 1.863 1.00 1.00 C ATOM 791 C ASP A 48 16.994 4.794 2.585 1.00 1.00 C ATOM 792 O ASP A 48 17.636 4.333 3.525 1.00 1.00 O ATOM 793 CB ASP A 48 16.365 7.137 1.864 1.00 1.00 C ATOM 794 CG ASP A 48 16.870 8.451 1.289 1.00 1.00 C ATOM 795 OD1 ASP A 48 17.431 9.258 2.044 1.00 1.00 O ATOM 796 OD2 ASP A 48 16.724 8.678 0.063 1.00 1.00 O ATOM 0 H ASP A 48 17.191 6.080 -0.212 1.00 1.00 H new ATOM 0 HA ASP A 48 18.324 6.413 2.427 1.00 1.00 H new ATOM 0 HB2 ASP A 48 15.512 6.788 1.282 1.00 1.00 H new ATOM 0 HB3 ASP A 48 16.012 7.297 2.883 1.00 1.00 H new ATOM 801 N HIS A 49 15.886 4.239 2.153 1.00 1.00 N ATOM 802 CA HIS A 49 15.355 3.038 2.773 1.00 1.00 C ATOM 803 C HIS A 49 14.350 2.358 1.849 1.00 1.00 C ATOM 804 O HIS A 49 13.757 2.996 0.989 1.00 1.00 O ATOM 805 CB HIS A 49 14.689 3.365 4.135 1.00 1.00 C ATOM 806 CG HIS A 49 13.403 4.154 4.050 1.00 1.00 C ATOM 807 ND1 HIS A 49 13.326 5.526 4.161 1.00 1.00 N ATOM 808 CD2 HIS A 49 12.123 3.725 3.880 1.00 1.00 C ATOM 809 CE1 HIS A 49 12.034 5.878 4.058 1.00 1.00 C ATOM 810 NE2 HIS A 49 11.267 4.822 3.887 1.00 1.00 N ATOM 0 H HIS A 49 15.332 4.596 1.375 1.00 1.00 H new ATOM 0 HA HIS A 49 16.187 2.357 2.951 1.00 1.00 H new ATOM 0 HB2 HIS A 49 14.489 2.429 4.657 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.400 3.924 4.744 1.00 1.00 H new ATOM 0 HD2 HIS A 49 11.819 2.696 3.759 1.00 1.00 H new ATOM 0 HE1 HIS A 49 11.672 6.894 4.109 1.00 1.00 H new ATOM 0 HE2 HIS A 49 10.253 4.810 3.781 1.00 1.00 H new ATOM 818 N HIS A 50 14.212 1.061 2.010 1.00 1.00 N ATOM 819 CA HIS A 50 13.238 0.267 1.260 1.00 1.00 C ATOM 820 C HIS A 50 13.326 -1.190 1.672 1.00 1.00 C ATOM 821 O HIS A 50 13.965 -2.015 1.029 1.00 1.00 O ATOM 822 CB HIS A 50 13.297 0.422 -0.284 1.00 1.00 C ATOM 823 CG HIS A 50 14.603 0.119 -0.963 1.00 1.00 C ATOM 824 ND1 HIS A 50 14.848 -1.041 -1.671 1.00 1.00 N ATOM 825 CD2 HIS A 50 15.718 0.878 -1.098 1.00 1.00 C ATOM 826 CE1 HIS A 50 16.071 -0.947 -2.205 1.00 1.00 C ATOM 827 NE2 HIS A 50 16.641 0.195 -1.887 1.00 1.00 N ATOM 0 H HIS A 50 14.771 0.515 2.666 1.00 1.00 H new ATOM 0 HA HIS A 50 12.263 0.674 1.529 1.00 1.00 H new ATOM 0 HB2 HIS A 50 12.535 -0.226 -0.716 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.020 1.447 -0.530 1.00 1.00 H new ATOM 0 HD2 HIS A 50 15.867 1.855 -0.664 1.00 1.00 H new ATOM 0 HE1 HIS A 50 16.530 -1.709 -2.817 1.00 1.00 H new ATOM 0 HE2 HIS A 50 17.570 0.515 -2.162 1.00 1.00 H new ATOM 835 N SER A 51 12.725 -1.483 2.809 1.00 1.00 N ATOM 836 CA SER A 51 12.686 -2.848 3.316 1.00 1.00 C ATOM 837 C SER A 51 11.425 -3.540 2.778 1.00 1.00 C ATOM 838 O SER A 51 11.326 -4.764 2.766 1.00 1.00 O ATOM 839 CB SER A 51 12.704 -2.846 4.847 1.00 1.00 C ATOM 840 OG SER A 51 11.624 -2.079 5.363 1.00 1.00 O ATOM 0 H SER A 51 12.256 -0.797 3.401 1.00 1.00 H new ATOM 0 HA SER A 51 13.565 -3.396 2.977 1.00 1.00 H new ATOM 0 HB2 SER A 51 12.639 -3.869 5.217 1.00 1.00 H new ATOM 0 HB3 SER A 51 13.649 -2.437 5.204 1.00 1.00 H new ATOM 0 HG SER A 51 11.652 -2.092 6.343 1.00 1.00 H new ATOM 846 N HIS A 52 10.456 -2.705 2.354 1.00 1.00 N ATOM 847 CA HIS A 52 9.176 -3.152 1.759 1.00 1.00 C ATOM 848 C HIS A 52 8.230 -3.770 2.815 1.00 1.00 C ATOM 849 O HIS A 52 7.153 -4.263 2.489 1.00 1.00 O ATOM 850 CB HIS A 52 9.460 -4.117 0.579 1.00 1.00 C ATOM 851 CG HIS A 52 8.274 -4.502 -0.269 1.00 1.00 C ATOM 852 ND1 HIS A 52 7.908 -5.808 -0.520 1.00 1.00 N ATOM 853 CD2 HIS A 52 7.394 -3.733 -0.967 1.00 1.00 C ATOM 854 CE1 HIS A 52 6.849 -5.794 -1.337 1.00 1.00 C ATOM 855 NE2 HIS A 52 6.497 -4.561 -1.638 1.00 1.00 N ATOM 0 H HIS A 52 10.539 -1.690 2.415 1.00 1.00 H new ATOM 0 HA HIS A 52 8.649 -2.282 1.368 1.00 1.00 H new ATOM 0 HB2 HIS A 52 10.208 -3.657 -0.067 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.903 -5.028 0.981 1.00 1.00 H new ATOM 0 HD2 HIS A 52 7.392 -2.653 -0.996 1.00 1.00 H new ATOM 0 HE1 HIS A 52 6.348 -6.678 -1.702 1.00 1.00 H new ATOM 0 HE2 HIS A 52 5.726 -4.272 -2.239 1.00 1.00 H new ATOM 863 N ARG A 53 8.600 -3.641 4.096 1.00 1.00 N ATOM 864 CA ARG A 53 7.812 -4.212 5.207 1.00 1.00 C ATOM 865 C ARG A 53 6.403 -3.625 5.300 1.00 1.00 C ATOM 866 O ARG A 53 5.419 -4.352 5.408 1.00 1.00 O ATOM 867 CB ARG A 53 8.498 -3.959 6.556 1.00 1.00 C ATOM 868 CG ARG A 53 9.919 -4.486 6.674 1.00 1.00 C ATOM 869 CD ARG A 53 10.008 -5.995 6.430 1.00 1.00 C ATOM 870 NE ARG A 53 9.129 -6.782 7.316 1.00 1.00 N ATOM 871 CZ ARG A 53 8.957 -8.075 7.213 1.00 1.00 C ATOM 872 NH1 ARG A 53 9.657 -8.762 6.376 1.00 1.00 N ATOM 873 NH2 ARG A 53 8.102 -8.681 7.977 1.00 1.00 N ATOM 0 H ARG A 53 9.441 -3.146 4.393 1.00 1.00 H new ATOM 0 HA ARG A 53 7.744 -5.279 4.993 1.00 1.00 H new ATOM 0 HB2 ARG A 53 8.510 -2.885 6.742 1.00 1.00 H new ATOM 0 HB3 ARG A 53 7.894 -4.412 7.342 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.556 -3.967 5.957 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.306 -4.259 7.667 1.00 1.00 H new ATOM 0 HD2 ARG A 53 9.748 -6.204 5.392 1.00 1.00 H new ATOM 0 HD3 ARG A 53 11.039 -6.319 6.572 1.00 1.00 H new ATOM 0 HE ARG A 53 8.625 -6.289 8.053 1.00 1.00 H new ATOM 0 HH11 ARG A 53 10.350 -8.298 5.789 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.518 -9.770 6.301 1.00 1.00 H new ATOM 0 HH21 ARG A 53 7.562 -8.150 8.660 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.970 -9.689 7.895 1.00 1.00 H new ATOM 887 N GLY A 54 6.322 -2.306 5.260 1.00 1.00 N ATOM 888 CA GLY A 54 5.046 -1.634 5.390 1.00 1.00 C ATOM 889 C GLY A 54 4.119 -1.811 4.197 1.00 1.00 C ATOM 890 O GLY A 54 2.901 -1.790 4.352 1.00 1.00 O ATOM 0 H GLY A 54 7.122 -1.684 5.139 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.543 -2.004 6.283 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.223 -0.569 5.542 1.00 1.00 H new ATOM 894 N LEU A 55 4.670 -2.037 3.008 1.00 1.00 N ATOM 895 CA LEU A 55 3.820 -2.181 1.824 1.00 1.00 C ATOM 896 C LEU A 55 3.128 -3.534 1.854 1.00 1.00 C ATOM 897 O LEU A 55 2.037 -3.709 1.312 1.00 1.00 O ATOM 898 CB LEU A 55 4.598 -2.009 0.514 1.00 1.00 C ATOM 899 CG LEU A 55 5.150 -0.598 0.268 1.00 1.00 C ATOM 900 CD1 LEU A 55 6.418 -0.348 1.074 1.00 1.00 C ATOM 901 CD2 LEU A 55 5.412 -0.372 -1.215 1.00 1.00 C ATOM 0 H LEU A 55 5.672 -2.123 2.837 1.00 1.00 H new ATOM 0 HA LEU A 55 3.078 -1.383 1.855 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.429 -2.714 0.507 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.945 -2.277 -0.317 1.00 1.00 H new ATOM 0 HG LEU A 55 4.394 0.113 0.601 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.782 0.660 0.876 1.00 1.00 H new ATOM 0 HD12 LEU A 55 6.200 -0.453 2.137 1.00 1.00 H new ATOM 0 HD13 LEU A 55 7.180 -1.072 0.787 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.803 0.634 -1.366 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.140 -1.101 -1.571 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.481 -0.487 -1.771 1.00 1.00 H new ATOM 913 N LEU A 56 3.752 -4.480 2.544 1.00 1.00 N ATOM 914 CA LEU A 56 3.208 -5.808 2.681 1.00 1.00 C ATOM 915 C LEU A 56 1.973 -5.765 3.576 1.00 1.00 C ATOM 916 O LEU A 56 0.975 -6.440 3.323 1.00 1.00 O ATOM 917 CB LEU A 56 4.264 -6.713 3.294 1.00 1.00 C ATOM 918 CG LEU A 56 5.484 -6.982 2.414 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.510 -7.796 3.182 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.078 -7.707 1.141 1.00 1.00 C ATOM 0 H LEU A 56 4.644 -4.341 3.019 1.00 1.00 H new ATOM 0 HA LEU A 56 2.921 -6.195 1.703 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.602 -6.267 4.229 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.800 -7.667 3.545 1.00 1.00 H new ATOM 0 HG LEU A 56 5.929 -6.027 2.135 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.376 -7.983 2.547 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.823 -7.244 4.068 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.069 -8.746 3.483 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.961 -7.889 0.528 1.00 1.00 H new ATOM 0 HD22 LEU A 56 4.612 -8.658 1.397 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.370 -7.094 0.583 1.00 1.00 H new ATOM 932 N MET A 57 2.050 -4.938 4.618 1.00 1.00 N ATOM 933 CA MET A 57 0.946 -4.767 5.551 1.00 1.00 C ATOM 934 C MET A 57 -0.264 -4.182 4.829 1.00 1.00 C ATOM 935 O MET A 57 -1.389 -4.654 4.980 1.00 1.00 O ATOM 936 CB MET A 57 1.359 -3.830 6.688 1.00 1.00 C ATOM 937 CG MET A 57 2.529 -4.340 7.509 1.00 1.00 C ATOM 938 SD MET A 57 3.072 -3.154 8.753 1.00 1.00 S ATOM 939 CE MET A 57 4.417 -4.057 9.517 1.00 1.00 C ATOM 0 H MET A 57 2.872 -4.375 4.835 1.00 1.00 H new ATOM 0 HA MET A 57 0.685 -5.742 5.963 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.618 -2.858 6.269 1.00 1.00 H new ATOM 0 HB3 MET A 57 0.505 -3.676 7.347 1.00 1.00 H new ATOM 0 HG2 MET A 57 2.245 -5.271 7.999 1.00 1.00 H new ATOM 0 HG3 MET A 57 3.362 -4.571 6.844 1.00 1.00 H new ATOM 0 HE1 MET A 57 4.857 -3.452 10.310 1.00 1.00 H new ATOM 0 HE2 MET A 57 4.037 -4.988 9.939 1.00 1.00 H new ATOM 0 HE3 MET A 57 5.176 -4.281 8.768 1.00 1.00 H new ATOM 949 N MET A 58 -0.006 -3.168 4.011 1.00 1.00 N ATOM 950 CA MET A 58 -1.062 -2.504 3.262 1.00 1.00 C ATOM 951 C MET A 58 -1.658 -3.429 2.187 1.00 1.00 C ATOM 952 O MET A 58 -2.876 -3.506 2.047 1.00 1.00 O ATOM 953 CB MET A 58 -0.539 -1.199 2.664 1.00 1.00 C ATOM 954 CG MET A 58 -0.184 -0.165 3.727 1.00 1.00 C ATOM 955 SD MET A 58 0.429 1.390 3.043 1.00 1.00 S ATOM 956 CE MET A 58 1.976 0.876 2.299 1.00 1.00 C ATOM 0 H MET A 58 0.927 -2.789 3.851 1.00 1.00 H new ATOM 0 HA MET A 58 -1.874 -2.261 3.948 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.343 -1.409 2.059 1.00 1.00 H new ATOM 0 HB3 MET A 58 -1.293 -0.783 1.996 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.066 0.037 4.335 1.00 1.00 H new ATOM 0 HG3 MET A 58 0.572 -0.583 4.392 1.00 1.00 H new ATOM 0 HE1 MET A 58 2.488 1.745 1.886 1.00 1.00 H new ATOM 0 HE2 MET A 58 2.607 0.410 3.056 1.00 1.00 H new ATOM 0 HE3 MET A 58 1.776 0.160 1.502 1.00 1.00 H new ATOM 966 N VAL A 59 -0.814 -4.150 1.440 1.00 1.00 N ATOM 967 CA VAL A 59 -1.328 -5.087 0.432 1.00 1.00 C ATOM 968 C VAL A 59 -2.120 -6.200 1.134 1.00 1.00 C ATOM 969 O VAL A 59 -3.146 -6.667 0.635 1.00 1.00 O ATOM 970 CB VAL A 59 -0.206 -5.697 -0.448 1.00 1.00 C ATOM 971 CG1 VAL A 59 -0.767 -6.736 -1.412 1.00 1.00 C ATOM 972 CG2 VAL A 59 0.508 -4.605 -1.230 1.00 1.00 C ATOM 0 H VAL A 59 0.203 -4.107 1.510 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.979 -4.527 -0.240 1.00 1.00 H new ATOM 0 HB VAL A 59 0.506 -6.189 0.215 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.042 -7.146 -2.016 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -1.241 -7.538 -0.847 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.504 -6.267 -2.064 1.00 1.00 H new ATOM 0 HG21 VAL A 59 1.292 -5.050 -1.842 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.207 -4.091 -1.873 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.951 -3.891 -0.536 1.00 1.00 H new ATOM 982 N GLY A 60 -1.645 -6.599 2.312 1.00 1.00 N ATOM 983 CA GLY A 60 -2.335 -7.608 3.096 1.00 1.00 C ATOM 984 C GLY A 60 -3.731 -7.157 3.509 1.00 1.00 C ATOM 985 O GLY A 60 -4.698 -7.905 3.372 1.00 1.00 O ATOM 0 H GLY A 60 -0.791 -6.239 2.738 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.408 -8.529 2.517 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.750 -7.837 3.987 1.00 1.00 H new ATOM 989 N GLN A 61 -3.839 -5.914 3.984 1.00 1.00 N ATOM 990 CA GLN A 61 -5.128 -5.354 4.409 1.00 1.00 C ATOM 991 C GLN A 61 -6.054 -5.177 3.212 1.00 1.00 C ATOM 992 O GLN A 61 -7.278 -5.180 3.340 1.00 1.00 O ATOM 993 CB GLN A 61 -4.928 -4.011 5.111 1.00 1.00 C ATOM 994 CG GLN A 61 -4.363 -4.163 6.508 1.00 1.00 C ATOM 995 CD GLN A 61 -5.331 -4.861 7.446 1.00 1.00 C ATOM 996 OE1 GLN A 61 -6.163 -4.232 8.081 1.00 1.00 O ATOM 997 NE2 GLN A 61 -5.231 -6.171 7.539 1.00 1.00 N ATOM 0 H GLN A 61 -3.051 -5.275 4.085 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.585 -6.052 5.110 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -4.257 -3.391 4.517 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -5.882 -3.487 5.164 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -3.433 -4.729 6.462 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -4.118 -3.179 6.908 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.526 -6.668 6.996 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.859 -6.688 8.154 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.452 -5.042 2.033 1.00 1.00 N ATOM 1007 CA ARG A 62 -6.195 -4.878 0.811 1.00 1.00 C ATOM 1008 C ARG A 62 -6.816 -6.213 0.395 1.00 1.00 C ATOM 1009 O ARG A 62 -8.000 -6.286 0.078 1.00 1.00 O ATOM 1010 CB ARG A 62 -5.254 -4.359 -0.268 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.953 -3.922 -1.536 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.997 -3.192 -2.482 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.956 -4.073 -3.032 1.00 1.00 N ATOM 1014 CZ ARG A 62 -2.971 -3.667 -3.796 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -2.868 -2.425 -4.127 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.087 -4.512 -4.219 1.00 1.00 N ATOM 0 H ARG A 62 -4.439 -5.045 1.910 1.00 1.00 H new ATOM 0 HA ARG A 62 -7.003 -4.161 0.957 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.689 -3.517 0.132 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.533 -5.139 -0.513 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -6.371 -4.793 -2.041 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -6.788 -3.268 -1.285 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.567 -2.755 -3.302 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -4.524 -2.368 -1.948 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.003 -5.066 -2.804 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -3.556 -1.750 -3.794 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -2.098 -2.118 -4.722 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -2.156 -5.496 -3.958 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -1.321 -4.194 -4.813 1.00 1.00 H new ATOM 1030 N ARG A 63 -6.008 -7.277 0.431 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.487 -8.618 0.086 1.00 1.00 C ATOM 1032 C ARG A 63 -7.547 -9.052 1.087 1.00 1.00 C ATOM 1033 O ARG A 63 -8.533 -9.707 0.757 1.00 1.00 O ATOM 1034 CB ARG A 63 -5.349 -9.638 0.152 1.00 1.00 C ATOM 1035 CG ARG A 63 -4.125 -9.303 -0.681 1.00 1.00 C ATOM 1036 CD ARG A 63 -3.050 -10.384 -0.531 1.00 1.00 C ATOM 1037 NE ARG A 63 -2.784 -10.725 0.880 1.00 1.00 N ATOM 1038 CZ ARG A 63 -1.616 -10.656 1.483 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -0.553 -10.269 0.855 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -1.522 -11.009 2.722 1.00 1.00 N ATOM 0 H ARG A 63 -5.023 -7.236 0.694 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.891 -8.578 -0.926 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -5.041 -9.747 1.192 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.733 -10.606 -0.170 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.408 -9.209 -1.729 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -3.722 -8.338 -0.372 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -3.364 -11.281 -1.065 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.127 -10.041 -0.999 1.00 1.00 H new ATOM 0 HE ARG A 63 -3.576 -11.043 1.438 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.609 -10.009 -0.130 1.00 1.00 H new ATOM 0 HH12 ARG A 63 0.341 -10.224 1.345 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -2.348 -11.337 3.223 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -0.622 -10.960 3.199 1.00 1.00 H new ATOM 1054 N ARG A 64 -7.303 -8.668 2.321 1.00 1.00 N ATOM 1055 CA ARG A 64 -8.171 -8.990 3.432 1.00 1.00 C ATOM 1056 C ARG A 64 -9.551 -8.347 3.301 1.00 1.00 C ATOM 1057 O ARG A 64 -10.574 -9.014 3.458 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.509 -8.495 4.717 1.00 1.00 C ATOM 1059 CG ARG A 64 -8.067 -9.106 5.987 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.706 -10.584 6.101 1.00 1.00 C ATOM 1061 NE ARG A 64 -8.179 -11.171 7.361 1.00 1.00 N ATOM 1062 CZ ARG A 64 -7.798 -12.326 7.840 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -6.904 -13.039 7.235 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -8.298 -12.744 8.955 1.00 1.00 N ATOM 0 H ARG A 64 -6.486 -8.117 2.584 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.317 -10.070 3.446 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.441 -8.707 4.666 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -7.617 -7.412 4.772 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -7.679 -8.568 6.852 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -9.151 -8.993 6.001 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -8.140 -11.129 5.262 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -6.624 -10.699 6.031 1.00 1.00 H new ATOM 0 HE ARG A 64 -8.857 -10.636 7.904 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.484 -12.702 6.369 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -6.619 -13.938 7.624 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -8.983 -12.174 9.452 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -8.008 -13.644 9.338 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.574 -7.071 2.974 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.829 -6.337 2.903 1.00 1.00 C ATOM 1080 C LEU A 65 -11.580 -6.513 1.570 1.00 1.00 C ATOM 1081 O LEU A 65 -12.794 -6.309 1.527 1.00 1.00 O ATOM 1082 CB LEU A 65 -10.572 -4.862 3.208 1.00 1.00 C ATOM 1083 CG LEU A 65 -11.818 -4.004 3.424 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -12.644 -4.525 4.592 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -11.417 -2.561 3.669 1.00 1.00 C ATOM 0 H LEU A 65 -8.745 -6.520 2.754 1.00 1.00 H new ATOM 0 HA LEU A 65 -11.492 -6.761 3.657 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.949 -4.797 4.100 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.997 -4.435 2.387 1.00 1.00 H new ATOM 0 HG LEU A 65 -12.432 -4.058 2.525 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -13.525 -3.896 4.724 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -12.956 -5.549 4.388 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -12.043 -4.503 5.501 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -12.311 -1.956 3.822 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -10.784 -2.505 4.555 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -10.867 -2.185 2.806 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.899 -6.919 0.491 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.601 -7.106 -0.789 1.00 1.00 C ATOM 1099 C LEU A 66 -12.625 -8.249 -0.692 1.00 1.00 C ATOM 1100 O LEU A 66 -13.572 -8.319 -1.472 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.636 -7.284 -1.989 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.570 -8.403 -1.936 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -10.176 -9.796 -2.094 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -8.529 -8.171 -3.033 1.00 1.00 C ATOM 0 H LEU A 66 -9.899 -7.119 0.473 1.00 1.00 H new ATOM 0 HA LEU A 66 -12.148 -6.184 -0.989 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -11.244 -7.451 -2.878 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.113 -6.339 -2.134 1.00 1.00 H new ATOM 0 HG LEU A 66 -9.103 -8.361 -0.952 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -9.385 -10.544 -2.049 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -10.890 -9.975 -1.291 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -10.686 -9.864 -3.055 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -7.778 -8.960 -2.995 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -9.018 -8.182 -4.007 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -8.048 -7.205 -2.880 1.00 1.00 H new ATOM 1116 N ARG A 67 -12.435 -9.126 0.291 1.00 1.00 N ATOM 1117 CA ARG A 67 -13.361 -10.237 0.539 1.00 1.00 C ATOM 1118 C ARG A 67 -14.702 -9.703 1.047 1.00 1.00 C ATOM 1119 O ARG A 67 -15.769 -10.236 0.754 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.802 -11.161 1.623 1.00 1.00 C ATOM 1121 CG ARG A 67 -11.403 -11.692 1.375 1.00 1.00 C ATOM 1122 CD ARG A 67 -10.916 -12.497 2.584 1.00 1.00 C ATOM 1123 NE ARG A 67 -10.985 -11.710 3.831 1.00 1.00 N ATOM 1124 CZ ARG A 67 -11.029 -12.211 5.044 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -10.927 -13.483 5.247 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -11.182 -11.418 6.055 1.00 1.00 N ATOM 0 H ARG A 67 -11.644 -9.091 0.934 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.490 -10.777 -0.399 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -12.804 -10.622 2.571 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -13.478 -12.009 1.737 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -11.398 -12.321 0.485 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -10.721 -10.863 1.183 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -11.521 -13.397 2.689 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -9.889 -12.821 2.415 1.00 1.00 H new ATOM 0 HE ARG A 67 -11.000 -10.694 3.743 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -10.810 -14.118 4.457 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -10.964 -13.852 6.197 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -11.267 -10.413 5.906 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -11.217 -11.798 7.001 1.00 1.00 H new ATOM 1140 N TYR A 68 -14.608 -8.637 1.818 1.00 1.00 N ATOM 1141 CA TYR A 68 -15.760 -7.994 2.441 1.00 1.00 C ATOM 1142 C TYR A 68 -16.472 -7.055 1.463 1.00 1.00 C ATOM 1143 O TYR A 68 -17.694 -7.074 1.338 1.00 1.00 O ATOM 1144 CB TYR A 68 -15.244 -7.223 3.660 1.00 1.00 C ATOM 1145 CG TYR A 68 -16.296 -6.524 4.486 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -16.948 -7.188 5.516 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -16.590 -5.183 4.278 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -17.894 -6.545 6.291 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -17.531 -4.532 5.051 1.00 1.00 C ATOM 1150 CZ TYR A 68 -18.169 -5.213 6.065 1.00 1.00 C ATOM 1151 OH TYR A 68 -19.102 -4.567 6.841 1.00 1.00 O ATOM 0 H TYR A 68 -13.720 -8.184 2.035 1.00 1.00 H new ATOM 0 HA TYR A 68 -16.493 -8.743 2.740 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -14.705 -7.917 4.304 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -14.524 -6.480 3.318 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -16.712 -8.223 5.715 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -16.075 -4.641 3.499 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -18.415 -7.083 7.069 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -17.766 -3.495 4.862 1.00 1.00 H new ATOM 0 HH TYR A 68 -19.177 -3.633 6.553 1.00 1.00 H new ATOM 1161 N LEU A 69 -15.676 -6.269 0.750 1.00 1.00 N ATOM 1162 CA LEU A 69 -16.175 -5.288 -0.219 1.00 1.00 C ATOM 1163 C LEU A 69 -16.968 -5.954 -1.362 1.00 1.00 C ATOM 1164 O LEU A 69 -18.049 -5.498 -1.726 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.966 -4.507 -0.771 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.236 -3.241 -1.606 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -13.961 -2.417 -1.687 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -15.701 -3.570 -3.018 1.00 1.00 C ATOM 0 H LEU A 69 -14.659 -6.290 0.824 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.870 -4.612 0.280 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.340 -4.221 0.075 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.380 -5.191 -1.384 1.00 1.00 H new ATOM 0 HG LEU A 69 -16.032 -2.684 -1.113 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -14.145 -1.519 -2.277 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -13.647 -2.133 -0.683 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -13.176 -3.007 -2.160 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -15.878 -2.645 -3.567 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -14.934 -4.153 -3.527 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -16.624 -4.147 -2.972 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.446 -7.055 -1.895 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.096 -7.752 -3.020 1.00 1.00 C ATOM 1182 C GLN A 70 -18.474 -8.307 -2.672 1.00 1.00 C ATOM 1183 O GLN A 70 -19.254 -8.637 -3.561 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.215 -8.896 -3.526 1.00 1.00 C ATOM 1185 CG GLN A 70 -15.998 -10.021 -2.525 1.00 1.00 C ATOM 1186 CD GLN A 70 -15.063 -11.083 -3.061 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -15.484 -12.059 -3.665 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -13.777 -10.892 -2.858 1.00 1.00 N ATOM 0 H GLN A 70 -15.580 -7.488 -1.574 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.230 -7.000 -3.798 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -16.665 -9.312 -4.428 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.245 -8.490 -3.812 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -15.590 -9.611 -1.601 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -16.957 -10.475 -2.276 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -13.458 -10.067 -2.350 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -13.099 -11.569 -3.209 1.00 1.00 H new ATOM 1197 N ARG A 71 -18.783 -8.378 -1.394 1.00 1.00 N ATOM 1198 CA ARG A 71 -20.057 -8.932 -0.951 1.00 1.00 C ATOM 1199 C ARG A 71 -21.226 -7.961 -1.099 1.00 1.00 C ATOM 1200 O ARG A 71 -22.342 -8.377 -1.389 1.00 1.00 O ATOM 1201 CB ARG A 71 -19.969 -9.343 0.511 1.00 1.00 C ATOM 1202 CG ARG A 71 -19.032 -10.503 0.780 1.00 1.00 C ATOM 1203 CD ARG A 71 -18.957 -10.790 2.275 1.00 1.00 C ATOM 1204 NE ARG A 71 -18.173 -11.990 2.597 1.00 1.00 N ATOM 1205 CZ ARG A 71 -18.087 -12.502 3.794 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -18.585 -11.878 4.808 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -17.453 -13.615 3.979 1.00 1.00 N ATOM 0 H ARG A 71 -18.174 -8.061 -0.640 1.00 1.00 H new ATOM 0 HA ARG A 71 -20.248 -9.790 -1.596 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -19.643 -8.485 1.098 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -20.966 -9.608 0.862 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.379 -11.390 0.250 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -18.038 -10.272 0.397 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -18.518 -9.931 2.781 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -19.967 -10.909 2.666 1.00 1.00 H new ATOM 0 HE ARG A 71 -17.666 -12.450 1.841 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -19.049 -10.979 4.676 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.515 -12.284 5.741 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -17.020 -14.093 3.189 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -17.386 -14.014 4.915 1.00 1.00 H new ATOM 1221 N GLU A 72 -20.991 -6.674 -0.924 1.00 1.00 N ATOM 1222 CA GLU A 72 -22.104 -5.723 -0.992 1.00 1.00 C ATOM 1223 C GLU A 72 -22.319 -5.188 -2.398 1.00 1.00 C ATOM 1224 O GLU A 72 -23.320 -4.534 -2.686 1.00 1.00 O ATOM 1225 CB GLU A 72 -21.911 -4.613 0.018 1.00 1.00 C ATOM 1226 CG GLU A 72 -22.118 -5.123 1.428 1.00 1.00 C ATOM 1227 CD GLU A 72 -21.824 -4.079 2.478 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -22.534 -3.054 2.507 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -20.887 -4.288 3.276 1.00 1.00 O ATOM 0 H GLU A 72 -20.075 -6.265 -0.739 1.00 1.00 H new ATOM 0 HA GLU A 72 -23.018 -6.258 -0.733 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -20.908 -4.198 -0.079 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -22.612 -3.804 -0.187 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -23.148 -5.463 1.539 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -21.477 -5.989 1.594 1.00 1.00 H new ATOM 1236 N ASP A 73 -21.368 -5.480 -3.261 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.438 -5.120 -4.656 1.00 1.00 C ATOM 1238 C ASP A 73 -20.284 -5.797 -5.377 1.00 1.00 C ATOM 1239 O ASP A 73 -19.128 -5.379 -5.274 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.407 -3.612 -4.888 1.00 1.00 C ATOM 1241 CG ASP A 73 -21.797 -3.275 -6.309 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -20.987 -3.535 -7.219 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.910 -2.761 -6.518 1.00 1.00 O ATOM 0 H ASP A 73 -20.516 -5.980 -3.007 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.396 -5.459 -5.050 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -22.088 -3.119 -4.194 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.408 -3.229 -4.681 1.00 1.00 H new ATOM 1248 N PRO A 74 -20.574 -6.896 -6.071 1.00 1.00 N ATOM 1249 CA PRO A 74 -19.558 -7.644 -6.803 1.00 1.00 C ATOM 1250 C PRO A 74 -18.967 -6.848 -7.965 1.00 1.00 C ATOM 1251 O PRO A 74 -17.833 -7.095 -8.378 1.00 1.00 O ATOM 1252 CB PRO A 74 -20.306 -8.870 -7.328 1.00 1.00 C ATOM 1253 CG PRO A 74 -21.578 -8.926 -6.548 1.00 1.00 C ATOM 1254 CD PRO A 74 -21.906 -7.507 -6.191 1.00 1.00 C ATOM 0 HA PRO A 74 -18.710 -7.890 -6.164 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -20.504 -8.781 -8.396 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -19.719 -9.778 -7.187 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -22.378 -9.375 -7.137 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -21.460 -9.536 -5.653 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -22.507 -7.023 -6.961 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.468 -7.442 -5.259 1.00 1.00 H new ATOM 1262 N GLU A 75 -19.710 -5.870 -8.470 1.00 1.00 N ATOM 1263 CA GLU A 75 -19.228 -5.068 -9.585 1.00 1.00 C ATOM 1264 C GLU A 75 -18.174 -4.083 -9.082 1.00 1.00 C ATOM 1265 O GLU A 75 -17.196 -3.788 -9.773 1.00 1.00 O ATOM 1266 CB GLU A 75 -20.386 -4.357 -10.281 1.00 1.00 C ATOM 1267 CG GLU A 75 -21.482 -5.308 -10.760 1.00 1.00 C ATOM 1268 CD GLU A 75 -20.980 -6.358 -11.747 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -20.456 -7.407 -11.304 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -21.107 -6.141 -12.968 1.00 1.00 O ATOM 0 H GLU A 75 -20.637 -5.616 -8.129 1.00 1.00 H new ATOM 0 HA GLU A 75 -18.764 -5.717 -10.327 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -20.821 -3.629 -9.596 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -20.000 -3.800 -11.135 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -21.920 -5.810 -9.898 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -22.277 -4.728 -11.229 1.00 1.00 H new ATOM 1277 N ARG A 76 -18.373 -3.580 -7.862 1.00 1.00 N ATOM 1278 CA ARG A 76 -17.390 -2.703 -7.232 1.00 1.00 C ATOM 1279 C ARG A 76 -16.093 -3.480 -6.998 1.00 1.00 C ATOM 1280 O ARG A 76 -15.000 -2.927 -7.103 1.00 1.00 O ATOM 1281 CB ARG A 76 -17.878 -2.162 -5.887 1.00 1.00 C ATOM 1282 CG ARG A 76 -18.937 -1.084 -5.996 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.293 -0.504 -4.625 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.230 0.622 -4.737 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.518 1.466 -3.776 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.066 1.311 -2.576 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.304 2.460 -4.026 1.00 1.00 N ATOM 0 H ARG A 76 -19.201 -3.765 -7.295 1.00 1.00 H new ATOM 0 HA ARG A 76 -17.229 -1.860 -7.903 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.277 -2.989 -5.299 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.025 -1.763 -5.338 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -18.580 -0.287 -6.648 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.832 -1.498 -6.460 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -19.734 -1.284 -4.004 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -18.384 -0.172 -4.123 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.694 0.758 -5.635 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -19.468 0.515 -2.355 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -20.307 1.985 -1.849 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -21.692 2.581 -4.962 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -21.537 3.124 -3.288 1.00 1.00 H new ATOM 1301 N TYR A 77 -16.226 -4.775 -6.684 1.00 1.00 N ATOM 1302 CA TYR A 77 -15.056 -5.638 -6.461 1.00 1.00 C ATOM 1303 C TYR A 77 -14.173 -5.587 -7.683 1.00 1.00 C ATOM 1304 O TYR A 77 -13.010 -5.191 -7.642 1.00 1.00 O ATOM 1305 CB TYR A 77 -15.479 -7.108 -6.281 1.00 1.00 C ATOM 1306 CG TYR A 77 -14.311 -8.085 -6.275 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -13.343 -8.016 -5.285 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -14.171 -9.068 -7.259 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -12.276 -8.894 -5.264 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -13.102 -9.950 -7.241 1.00 1.00 C ATOM 1311 CZ TYR A 77 -12.157 -9.855 -6.241 1.00 1.00 C ATOM 1312 OH TYR A 77 -11.093 -10.728 -6.216 1.00 1.00 O ATOM 0 H TYR A 77 -17.124 -5.247 -6.579 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.543 -5.285 -5.567 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.028 -7.207 -5.345 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -16.165 -7.380 -7.083 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -13.424 -7.262 -4.516 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -14.907 -9.141 -8.046 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -11.536 -8.826 -4.481 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -13.010 -10.707 -8.006 1.00 1.00 H new ATOM 0 HH TYR A 77 -11.158 -11.344 -6.975 1.00 1.00 H new ATOM 1322 N ARG A 78 -14.804 -5.956 -8.790 1.00 1.00 N ATOM 1323 CA ARG A 78 -14.183 -6.051 -10.079 1.00 1.00 C ATOM 1324 C ARG A 78 -13.536 -4.762 -10.528 1.00 1.00 C ATOM 1325 O ARG A 78 -12.390 -4.755 -10.956 1.00 1.00 O ATOM 1326 CB ARG A 78 -15.257 -6.435 -11.086 1.00 1.00 C ATOM 1327 CG ARG A 78 -15.997 -7.706 -10.716 1.00 1.00 C ATOM 1328 CD ARG A 78 -17.243 -7.923 -11.573 1.00 1.00 C ATOM 1329 NE ARG A 78 -16.927 -8.271 -12.962 1.00 1.00 N ATOM 1330 CZ ARG A 78 -17.827 -8.541 -13.872 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -19.085 -8.396 -13.618 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -17.452 -8.915 -15.054 1.00 1.00 N ATOM 0 H ARG A 78 -15.794 -6.203 -8.802 1.00 1.00 H new ATOM 0 HA ARG A 78 -13.390 -6.796 -10.012 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -15.973 -5.618 -11.173 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -14.798 -6.562 -12.066 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -15.328 -8.559 -10.829 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -16.284 -7.664 -9.665 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -17.846 -8.717 -11.133 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -17.849 -7.017 -11.560 1.00 1.00 H new ATOM 0 HE ARG A 78 -15.945 -8.305 -13.235 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -19.385 -8.068 -12.700 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -19.778 -8.610 -14.335 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -16.459 -8.998 -15.272 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.150 -9.127 -15.767 1.00 1.00 H new ATOM 1346 N ALA A 79 -14.240 -3.663 -10.386 1.00 1.00 N ATOM 1347 CA ALA A 79 -13.703 -2.412 -10.867 1.00 1.00 C ATOM 1348 C ALA A 79 -12.695 -1.781 -9.912 1.00 1.00 C ATOM 1349 O ALA A 79 -11.730 -1.171 -10.356 1.00 1.00 O ATOM 1350 CB ALA A 79 -14.811 -1.447 -11.210 1.00 1.00 C ATOM 0 H ALA A 79 -15.162 -3.608 -9.953 1.00 1.00 H new ATOM 0 HA ALA A 79 -13.149 -2.644 -11.777 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -14.381 -0.512 -11.570 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -15.442 -1.879 -11.987 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -15.411 -1.252 -10.322 1.00 1.00 H new ATOM 1356 N LEU A 80 -12.874 -1.926 -8.608 1.00 1.00 N ATOM 1357 CA LEU A 80 -11.912 -1.330 -7.709 1.00 1.00 C ATOM 1358 C LEU A 80 -10.624 -2.140 -7.716 1.00 1.00 C ATOM 1359 O LEU A 80 -9.553 -1.622 -7.412 1.00 1.00 O ATOM 1360 CB LEU A 80 -12.454 -1.169 -6.297 1.00 1.00 C ATOM 1361 CG LEU A 80 -11.504 -0.472 -5.310 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -11.188 0.948 -5.761 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.111 -0.450 -3.921 1.00 1.00 C ATOM 0 H LEU A 80 -13.644 -2.430 -8.167 1.00 1.00 H new ATOM 0 HA LEU A 80 -11.702 -0.324 -8.071 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -13.384 -0.602 -6.344 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -12.701 -2.155 -5.905 1.00 1.00 H new ATOM 0 HG LEU A 80 -10.573 -1.038 -5.285 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.514 1.416 -5.044 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -10.712 0.921 -6.741 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.111 1.525 -5.821 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.427 0.047 -3.233 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.057 0.091 -3.946 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.286 -1.472 -3.584 1.00 1.00 H new ATOM 1375 N ILE A 81 -10.695 -3.402 -8.109 1.00 1.00 N ATOM 1376 CA ILE A 81 -9.468 -4.165 -8.155 1.00 1.00 C ATOM 1377 C ILE A 81 -8.732 -3.799 -9.427 1.00 1.00 C ATOM 1378 O ILE A 81 -7.532 -3.545 -9.418 1.00 1.00 O ATOM 1379 CB ILE A 81 -9.628 -5.703 -7.989 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -10.507 -6.388 -9.058 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -10.190 -5.977 -6.608 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -9.788 -6.732 -10.352 1.00 1.00 C ATOM 0 H ILE A 81 -11.543 -3.895 -8.387 1.00 1.00 H new ATOM 0 HA ILE A 81 -8.885 -3.890 -7.276 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.636 -6.135 -8.122 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.921 -7.303 -8.635 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -11.348 -5.734 -9.289 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.310 -7.052 -6.471 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.506 -5.589 -5.853 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.159 -5.488 -6.506 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.486 -7.209 -11.040 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.398 -5.821 -10.805 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -8.964 -7.414 -10.140 1.00 1.00 H new ATOM 1394 N GLU A 82 -9.486 -3.663 -10.501 1.00 1.00 N ATOM 1395 CA GLU A 82 -8.916 -3.312 -11.779 1.00 1.00 C ATOM 1396 C GLU A 82 -8.389 -1.866 -11.776 1.00 1.00 C ATOM 1397 O GLU A 82 -7.594 -1.497 -12.622 1.00 1.00 O ATOM 1398 CB GLU A 82 -9.936 -3.585 -12.881 1.00 1.00 C ATOM 1399 CG GLU A 82 -9.379 -3.507 -14.291 1.00 1.00 C ATOM 1400 CD GLU A 82 -10.310 -4.139 -15.307 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -11.287 -3.475 -15.708 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -10.068 -5.302 -15.696 1.00 1.00 O ATOM 0 H GLU A 82 -10.498 -3.792 -10.509 1.00 1.00 H new ATOM 0 HA GLU A 82 -8.045 -3.937 -11.979 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -10.361 -4.577 -12.727 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -10.753 -2.870 -12.787 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -9.208 -2.464 -14.556 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -8.411 -4.007 -14.326 1.00 1.00 H new ATOM 1409 N LYS A 83 -8.824 -1.023 -10.842 1.00 1.00 N ATOM 1410 CA LYS A 83 -8.222 0.307 -10.790 1.00 1.00 C ATOM 1411 C LYS A 83 -7.165 0.412 -9.669 1.00 1.00 C ATOM 1412 O LYS A 83 -6.062 0.895 -9.906 1.00 1.00 O ATOM 1413 CB LYS A 83 -9.241 1.470 -10.732 1.00 1.00 C ATOM 1414 CG LYS A 83 -10.330 1.404 -9.666 1.00 1.00 C ATOM 1415 CD LYS A 83 -11.364 2.514 -9.891 1.00 1.00 C ATOM 1416 CE LYS A 83 -12.530 2.424 -8.915 1.00 1.00 C ATOM 1417 NZ LYS A 83 -13.579 3.450 -9.193 1.00 1.00 N ATOM 0 H LYS A 83 -9.547 -1.218 -10.149 1.00 1.00 H new ATOM 0 HA LYS A 83 -7.714 0.426 -11.747 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -8.685 2.396 -10.587 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -9.727 1.539 -11.705 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.819 0.430 -9.696 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -9.886 1.507 -8.676 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.880 3.485 -9.787 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.742 2.454 -10.912 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.973 1.430 -8.971 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.160 2.551 -7.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.352 3.351 -8.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.165 4.401 -9.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -13.952 3.314 -10.154 1.00 1.00 H new ATOM 1431 N LEU A 84 -7.450 -0.091 -8.465 1.00 1.00 N ATOM 1432 CA LEU A 84 -6.476 0.038 -7.361 1.00 1.00 C ATOM 1433 C LEU A 84 -6.137 -1.259 -6.608 1.00 1.00 C ATOM 1434 O LEU A 84 -5.072 -1.366 -6.007 1.00 1.00 O ATOM 1435 CB LEU A 84 -7.043 1.009 -6.332 1.00 1.00 C ATOM 1436 CG LEU A 84 -7.352 2.415 -6.839 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -7.991 3.240 -5.739 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -6.095 3.098 -7.349 1.00 1.00 C ATOM 0 H LEU A 84 -8.315 -0.577 -8.227 1.00 1.00 H new ATOM 0 HA LEU A 84 -5.554 0.372 -7.836 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -7.959 0.582 -5.924 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -6.334 1.089 -5.508 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.053 2.331 -7.670 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.207 4.241 -6.113 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.918 2.765 -5.420 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.308 3.309 -4.892 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.343 4.098 -7.704 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -5.367 3.170 -6.541 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -5.672 2.517 -8.168 1.00 1.00 H new ATOM 1450 N GLY A 85 -6.998 -2.253 -6.665 1.00 1.00 N ATOM 1451 CA GLY A 85 -6.784 -3.449 -5.852 1.00 1.00 C ATOM 1452 C GLY A 85 -5.804 -4.447 -6.411 1.00 1.00 C ATOM 1453 O GLY A 85 -5.009 -5.047 -5.695 1.00 1.00 O ATOM 0 H GLY A 85 -7.835 -2.267 -7.248 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -6.438 -3.139 -4.866 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -7.743 -3.948 -5.711 1.00 1.00 H new ATOM 1457 N ILE A 86 -5.887 -4.616 -7.682 1.00 1.00 N ATOM 1458 CA ILE A 86 -5.077 -5.557 -8.388 1.00 1.00 C ATOM 1459 C ILE A 86 -4.318 -4.808 -9.504 1.00 1.00 C ATOM 1460 O ILE A 86 -3.311 -5.248 -10.071 1.00 1.00 O ATOM 1461 CB ILE A 86 -6.039 -6.638 -8.894 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -6.313 -7.680 -7.772 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -5.569 -7.282 -10.174 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -7.336 -8.740 -8.148 1.00 1.00 C ATOM 0 H ILE A 86 -6.532 -4.096 -8.277 1.00 1.00 H new ATOM 0 HA ILE A 86 -4.310 -6.036 -7.779 1.00 1.00 H new ATOM 0 HB ILE A 86 -6.983 -6.153 -9.145 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -5.376 -8.171 -7.510 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.659 -7.156 -6.881 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -6.288 -8.039 -10.486 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -5.481 -6.523 -10.952 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.598 -7.749 -10.011 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.471 -9.428 -7.313 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -8.287 -8.261 -8.381 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -6.985 -9.292 -9.020 1.00 1.00 H new ATOM 1476 N ARG A 87 -4.844 -3.557 -9.779 1.00 1.00 N ATOM 1477 CA ARG A 87 -4.308 -2.515 -10.800 1.00 1.00 C ATOM 1478 C ARG A 87 -4.636 -2.846 -12.251 1.00 1.00 C ATOM 1479 O ARG A 87 -4.598 -2.076 -13.158 1.00 1.00 O ATOM 1480 CB ARG A 87 -2.815 -2.357 -10.705 1.00 1.00 C ATOM 1481 CG ARG A 87 -2.332 -1.894 -9.364 1.00 1.00 C ATOM 1482 CD ARG A 87 -0.813 -1.905 -9.344 1.00 1.00 C ATOM 1483 NE ARG A 87 -0.272 -3.267 -9.444 1.00 1.00 N ATOM 1484 CZ ARG A 87 0.427 -3.744 -10.445 1.00 1.00 C ATOM 1485 NH1 ARG A 87 0.721 -3.016 -11.473 1.00 1.00 N ATOM 1486 NH2 ARG A 87 0.827 -4.975 -10.410 1.00 1.00 N ATOM 0 H ARG A 87 -5.675 -3.218 -9.294 1.00 1.00 H new ATOM 0 HA ARG A 87 -4.818 -1.592 -10.526 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -2.344 -3.312 -10.939 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -2.487 -1.645 -11.463 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -2.702 -0.890 -9.159 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -2.722 -2.544 -8.580 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -0.435 -1.303 -10.170 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -0.459 -1.441 -8.424 1.00 1.00 H new ATOM 0 HE ARG A 87 -0.457 -3.898 -8.664 1.00 1.00 H new ATOM 0 HH11 ARG A 87 0.407 -2.046 -11.518 1.00 1.00 H new ATOM 0 HH12 ARG A 87 1.266 -3.412 -12.239 1.00 1.00 H new ATOM 0 HH21 ARG A 87 0.598 -5.563 -9.609 1.00 1.00 H new ATOM 0 HH22 ARG A 87 1.372 -5.356 -11.184 1.00 1.00 H new ATOM 1500 N GLY A 88 -4.984 -4.153 -12.294 1.00 1.00 N ATOM 1501 CA GLY A 88 -5.342 -4.963 -13.464 1.00 1.00 C ATOM 1502 C GLY A 88 -4.203 -5.558 -14.224 1.00 1.00 C ATOM 1503 O GLY A 88 -3.568 -4.757 -15.028 1.00 1.00 O ATOM 1504 OXT GLY A 88 -4.151 -6.784 -14.320 1.00 1.00 O ATOM 0 H GLY A 88 -5.022 -4.706 -11.438 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -5.995 -5.772 -13.135 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -5.923 -4.342 -14.146 1.00 1.00 H new TER 1508 GLY A 88