USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 112:sc= 0.432 USER MOD Single : A 17 TYR OH : rot -145:sc= 0.0408 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -87:sc= -3.03 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.503 K(o=-0.5,f=-2.3) USER MOD Single : A 52 GLN : amide:sc= -5.89! K(o=-5.9!,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00701) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.218 K(o=-0.22,f=-3!) USER MOD Single : A 67 GLN : amide:sc= -0.0765 K(o=-0.076,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.826 -5.418 1.857 1.00 0.00 N ATOM 2 CA MET A 1 -20.292 -5.194 2.009 1.00 0.00 C ATOM 3 C MET A 1 -20.832 -6.026 3.175 1.00 0.00 C ATOM 4 O MET A 1 -21.450 -7.055 2.984 1.00 0.00 O ATOM 5 CB MET A 1 -20.904 -5.661 0.687 1.00 0.00 C ATOM 6 CG MET A 1 -21.177 -4.447 -0.205 1.00 0.00 C ATOM 7 SD MET A 1 -21.684 -5.010 -1.849 1.00 0.00 S ATOM 8 CE MET A 1 -20.101 -4.732 -2.681 1.00 0.00 C ATOM 0 H1 MET A 1 -18.468 -4.849 1.063 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.339 -5.136 2.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.646 -6.425 1.670 1.00 0.00 H new ATOM 0 HA MET A 1 -20.532 -4.152 2.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.226 -6.351 0.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.830 -6.204 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.957 -3.826 0.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.282 -3.829 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.186 -5.018 -3.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.835 -3.677 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.328 -5.333 -2.202 1.00 0.00 H new ATOM 20 N GLU A 2 -20.600 -5.587 4.382 1.00 0.00 N ATOM 21 CA GLU A 2 -21.096 -6.350 5.564 1.00 0.00 C ATOM 22 C GLU A 2 -20.612 -7.802 5.502 1.00 0.00 C ATOM 23 O GLU A 2 -21.231 -8.648 4.888 1.00 0.00 O ATOM 24 CB GLU A 2 -22.621 -6.287 5.472 1.00 0.00 C ATOM 25 CG GLU A 2 -23.226 -6.718 6.809 1.00 0.00 C ATOM 26 CD GLU A 2 -24.588 -6.046 6.994 1.00 0.00 C ATOM 27 OE1 GLU A 2 -24.803 -5.010 6.385 1.00 0.00 O ATOM 28 OE2 GLU A 2 -25.392 -6.578 7.742 1.00 0.00 O ATOM 0 H GLU A 2 -20.088 -4.732 4.601 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.729 -5.935 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.940 -5.275 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.976 -6.937 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.337 -7.802 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.560 -6.444 7.627 1.00 0.00 H new ATOM 35 N ILE A 3 -19.509 -8.094 6.136 1.00 0.00 N ATOM 36 CA ILE A 3 -18.981 -9.492 6.119 1.00 0.00 C ATOM 37 C ILE A 3 -18.182 -9.770 7.395 1.00 0.00 C ATOM 38 O ILE A 3 -17.448 -8.928 7.872 1.00 0.00 O ATOM 39 CB ILE A 3 -18.070 -9.575 4.888 1.00 0.00 C ATOM 40 CG1 ILE A 3 -17.103 -8.386 4.874 1.00 0.00 C ATOM 41 CG2 ILE A 3 -18.924 -9.556 3.618 1.00 0.00 C ATOM 42 CD1 ILE A 3 -15.762 -8.823 4.282 1.00 0.00 C ATOM 0 H ILE A 3 -18.949 -7.426 6.666 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.783 -10.228 6.075 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.497 -10.501 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -17.523 -7.570 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -16.960 -8.009 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.276 -9.615 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -19.604 -10.408 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.500 -8.632 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -15.075 -7.977 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -15.341 -9.625 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.913 -9.179 3.263 1.00 0.00 H new ATOM 54 N ASP A 4 -18.309 -10.951 7.942 1.00 0.00 N ATOM 55 CA ASP A 4 -17.558 -11.299 9.176 1.00 0.00 C ATOM 56 C ASP A 4 -17.899 -12.722 9.599 1.00 0.00 C ATOM 57 O ASP A 4 -19.007 -13.023 9.994 1.00 0.00 O ATOM 58 CB ASP A 4 -18.011 -10.320 10.251 1.00 0.00 C ATOM 59 CG ASP A 4 -19.534 -10.378 10.390 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.210 -10.062 9.426 1.00 0.00 O ATOM 61 OD2 ASP A 4 -19.996 -10.739 11.460 1.00 0.00 O ATOM 0 H ASP A 4 -18.908 -11.693 7.580 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.482 -11.239 9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.539 -10.565 11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.698 -9.309 9.991 1.00 0.00 H new ATOM 66 N GLU A 5 -16.948 -13.589 9.515 1.00 0.00 N ATOM 67 CA GLU A 5 -17.182 -15.010 9.905 1.00 0.00 C ATOM 68 C GLU A 5 -15.852 -15.695 10.227 1.00 0.00 C ATOM 69 O GLU A 5 -15.716 -16.896 10.105 1.00 0.00 O ATOM 70 CB GLU A 5 -17.835 -15.652 8.682 1.00 0.00 C ATOM 71 CG GLU A 5 -19.321 -15.889 8.959 1.00 0.00 C ATOM 72 CD GLU A 5 -19.824 -17.043 8.090 1.00 0.00 C ATOM 73 OE1 GLU A 5 -19.004 -17.841 7.668 1.00 0.00 O ATOM 74 OE2 GLU A 5 -21.021 -17.107 7.860 1.00 0.00 O ATOM 0 H GLU A 5 -16.004 -13.382 9.190 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.807 -15.098 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.715 -15.006 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.343 -16.596 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.473 -16.121 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.890 -14.984 8.746 1.00 0.00 H new ATOM 81 N GLY A 6 -14.869 -14.940 10.635 1.00 0.00 N ATOM 82 CA GLY A 6 -13.548 -15.545 10.962 1.00 0.00 C ATOM 83 C GLY A 6 -12.622 -15.436 9.750 1.00 0.00 C ATOM 84 O GLY A 6 -11.684 -16.194 9.605 1.00 0.00 O ATOM 0 H GLY A 6 -14.924 -13.929 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.105 -15.036 11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.675 -16.590 11.243 1.00 0.00 H new ATOM 88 N LYS A 7 -12.875 -14.497 8.881 1.00 0.00 N ATOM 89 CA LYS A 7 -12.003 -14.336 7.684 1.00 0.00 C ATOM 90 C LYS A 7 -10.779 -13.496 8.050 1.00 0.00 C ATOM 91 O LYS A 7 -10.887 -12.489 8.719 1.00 0.00 O ATOM 92 CB LYS A 7 -12.868 -13.611 6.654 1.00 0.00 C ATOM 93 CG LYS A 7 -13.902 -14.583 6.084 1.00 0.00 C ATOM 94 CD LYS A 7 -14.453 -14.027 4.769 1.00 0.00 C ATOM 95 CE LYS A 7 -15.733 -13.237 5.046 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.576 -13.439 3.834 1.00 0.00 N ATOM 0 H LYS A 7 -13.648 -13.834 8.948 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.638 -15.289 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.369 -12.761 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.244 -13.216 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.446 -15.559 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.713 -14.728 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.712 -13.384 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.659 -14.842 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.236 -13.600 5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.519 -12.180 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.474 -12.927 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.074 -13.078 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.769 -14.453 3.710 1.00 0.00 H new ATOM 110 N TYR A 8 -9.614 -13.907 7.634 1.00 0.00 N ATOM 111 CA TYR A 8 -8.393 -13.125 7.982 1.00 0.00 C ATOM 112 C TYR A 8 -7.603 -12.765 6.720 1.00 0.00 C ATOM 113 O TYR A 8 -7.403 -13.584 5.846 1.00 0.00 O ATOM 114 CB TYR A 8 -7.575 -14.052 8.882 1.00 0.00 C ATOM 115 CG TYR A 8 -8.084 -13.954 10.301 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.362 -14.431 10.620 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.283 -13.383 11.295 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.838 -14.336 11.932 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.758 -13.289 12.609 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.036 -13.766 12.927 1.00 0.00 C ATOM 121 OH TYR A 8 -9.505 -13.672 14.221 1.00 0.00 O ATOM 0 H TYR A 8 -9.454 -14.743 7.073 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.637 -12.184 8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.650 -15.080 8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.521 -13.778 8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.980 -14.872 9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.298 -13.014 11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.824 -14.702 12.177 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.139 -12.849 13.377 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.823 -13.253 14.786 1.00 0.00 H new ATOM 131 N GLU A 9 -7.153 -11.544 6.623 1.00 0.00 N ATOM 132 CA GLU A 9 -6.374 -11.126 5.424 1.00 0.00 C ATOM 133 C GLU A 9 -4.881 -11.046 5.768 1.00 0.00 C ATOM 134 O GLU A 9 -4.504 -10.577 6.823 1.00 0.00 O ATOM 135 CB GLU A 9 -6.918 -9.743 5.061 1.00 0.00 C ATOM 136 CG GLU A 9 -6.258 -9.259 3.768 1.00 0.00 C ATOM 137 CD GLU A 9 -7.118 -8.161 3.138 1.00 0.00 C ATOM 138 OE1 GLU A 9 -7.905 -7.566 3.857 1.00 0.00 O ATOM 139 OE2 GLU A 9 -6.975 -7.934 1.948 1.00 0.00 O ATOM 0 H GLU A 9 -7.292 -10.816 7.324 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.473 -11.831 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.000 -9.787 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.720 -9.039 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.258 -8.878 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.143 -10.090 3.072 1.00 0.00 H new ATOM 146 N CYS A 10 -4.030 -11.498 4.886 1.00 0.00 N ATOM 147 CA CYS A 10 -2.566 -11.445 5.168 1.00 0.00 C ATOM 148 C CYS A 10 -2.026 -10.041 4.907 1.00 0.00 C ATOM 149 O CYS A 10 -1.963 -9.592 3.780 1.00 0.00 O ATOM 150 CB CYS A 10 -1.930 -12.423 4.183 1.00 0.00 C ATOM 151 SG CYS A 10 -0.299 -12.931 4.778 1.00 0.00 S ATOM 0 H CYS A 10 -4.285 -11.901 3.984 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.348 -11.696 6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.570 -13.297 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.839 -11.956 3.202 1.00 0.00 H new ATOM 156 N GLU A 11 -1.612 -9.352 5.930 1.00 0.00 N ATOM 157 CA GLU A 11 -1.051 -7.990 5.716 1.00 0.00 C ATOM 158 C GLU A 11 0.296 -8.095 4.990 1.00 0.00 C ATOM 159 O GLU A 11 0.852 -7.111 4.545 1.00 0.00 O ATOM 160 CB GLU A 11 -0.855 -7.421 7.118 1.00 0.00 C ATOM 161 CG GLU A 11 -1.737 -6.182 7.296 1.00 0.00 C ATOM 162 CD GLU A 11 -1.027 -5.168 8.198 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.007 -5.519 8.769 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.517 -4.055 8.302 1.00 0.00 O ATOM 0 H GLU A 11 -1.637 -9.669 6.899 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.701 -7.360 5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.110 -8.172 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.192 -7.160 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.950 -5.733 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.694 -6.465 7.734 1.00 0.00 H new ATOM 171 N ALA A 12 0.832 -9.285 4.885 1.00 0.00 N ATOM 172 CA ALA A 12 2.149 -9.460 4.211 1.00 0.00 C ATOM 173 C ALA A 12 1.992 -9.593 2.690 1.00 0.00 C ATOM 174 O ALA A 12 2.777 -9.048 1.939 1.00 0.00 O ATOM 175 CB ALA A 12 2.720 -10.750 4.801 1.00 0.00 C ATOM 0 H ALA A 12 0.411 -10.144 5.239 1.00 0.00 H new ATOM 0 HA ALA A 12 2.798 -8.599 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.694 -10.954 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.830 -10.639 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.044 -11.578 4.588 1.00 0.00 H new ATOM 181 N CYS A 13 1.007 -10.316 2.218 1.00 0.00 N ATOM 182 CA CYS A 13 0.861 -10.464 0.739 1.00 0.00 C ATOM 183 C CYS A 13 -0.524 -9.998 0.262 1.00 0.00 C ATOM 184 O CYS A 13 -0.660 -9.433 -0.805 1.00 0.00 O ATOM 185 CB CYS A 13 1.105 -11.959 0.456 1.00 0.00 C ATOM 186 SG CYS A 13 -0.329 -12.961 0.936 1.00 0.00 S ATOM 0 H CYS A 13 0.309 -10.802 2.782 1.00 0.00 H new ATOM 0 HA CYS A 13 1.569 -9.840 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.313 -12.102 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.986 -12.296 1.002 1.00 0.00 H new ATOM 191 N GLY A 14 -1.545 -10.220 1.039 1.00 0.00 N ATOM 192 CA GLY A 14 -2.907 -9.775 0.616 1.00 0.00 C ATOM 193 C GLY A 14 -3.824 -10.987 0.439 1.00 0.00 C ATOM 194 O GLY A 14 -4.834 -10.921 -0.234 1.00 0.00 O ATOM 0 H GLY A 14 -1.500 -10.687 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.325 -9.099 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.842 -9.218 -0.319 1.00 0.00 H new ATOM 198 N TYR A 15 -3.486 -12.093 1.039 1.00 0.00 N ATOM 199 CA TYR A 15 -4.343 -13.308 0.911 1.00 0.00 C ATOM 200 C TYR A 15 -5.467 -13.263 1.951 1.00 0.00 C ATOM 201 O TYR A 15 -5.459 -12.443 2.846 1.00 0.00 O ATOM 202 CB TYR A 15 -3.402 -14.488 1.178 1.00 0.00 C ATOM 203 CG TYR A 15 -4.198 -15.771 1.229 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.465 -16.479 0.051 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.670 -16.252 2.456 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.204 -17.666 0.100 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.411 -17.439 2.505 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.677 -18.147 1.327 1.00 0.00 C ATOM 209 OH TYR A 15 -6.407 -19.317 1.375 1.00 0.00 O ATOM 0 H TYR A 15 -2.652 -12.210 1.614 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.817 -13.385 -0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.647 -14.548 0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.874 -14.339 2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.100 -16.109 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.462 -15.707 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.410 -18.212 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.777 -17.808 3.451 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.884 -20.011 1.828 1.00 0.00 H new ATOM 219 N ILE A 16 -6.433 -14.134 1.840 1.00 0.00 N ATOM 220 CA ILE A 16 -7.554 -14.135 2.826 1.00 0.00 C ATOM 221 C ILE A 16 -7.835 -15.566 3.306 1.00 0.00 C ATOM 222 O ILE A 16 -8.247 -16.418 2.545 1.00 0.00 O ATOM 223 CB ILE A 16 -8.755 -13.564 2.056 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.554 -12.060 1.846 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.047 -13.790 2.848 1.00 0.00 C ATOM 226 CD1 ILE A 16 -7.687 -11.825 0.608 1.00 0.00 C ATOM 0 H ILE A 16 -6.495 -14.844 1.111 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.330 -13.548 3.716 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.831 -14.070 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.519 -11.568 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.079 -11.620 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.891 -13.381 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.197 -14.859 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.973 -13.291 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.546 -10.754 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.717 -12.303 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.179 -12.250 -0.267 1.00 0.00 H new ATOM 238 N TYR A 17 -7.619 -15.831 4.567 1.00 0.00 N ATOM 239 CA TYR A 17 -7.876 -17.200 5.100 1.00 0.00 C ATOM 240 C TYR A 17 -9.384 -17.428 5.261 1.00 0.00 C ATOM 241 O TYR A 17 -10.105 -16.576 5.747 1.00 0.00 O ATOM 242 CB TYR A 17 -7.170 -17.238 6.463 1.00 0.00 C ATOM 243 CG TYR A 17 -7.591 -18.475 7.230 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.099 -19.732 6.859 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.479 -18.362 8.308 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.496 -20.876 7.564 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.874 -19.505 9.014 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.383 -20.763 8.641 1.00 0.00 C ATOM 249 OH TYR A 17 -8.774 -21.891 9.335 1.00 0.00 O ATOM 0 H TYR A 17 -7.275 -15.157 5.251 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.508 -17.980 4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.089 -17.238 6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.417 -16.344 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.413 -19.820 6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.859 -17.393 8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.117 -21.846 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.557 -19.417 9.846 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.708 -21.795 9.616 1.00 0.00 H new ATOM 259 N GLU A 18 -9.857 -18.580 4.867 1.00 0.00 N ATOM 260 CA GLU A 18 -11.310 -18.885 5.004 1.00 0.00 C ATOM 261 C GLU A 18 -11.506 -20.014 6.026 1.00 0.00 C ATOM 262 O GLU A 18 -11.111 -21.138 5.781 1.00 0.00 O ATOM 263 CB GLU A 18 -11.747 -19.340 3.611 1.00 0.00 C ATOM 264 CG GLU A 18 -11.642 -18.165 2.634 1.00 0.00 C ATOM 265 CD GLU A 18 -11.919 -18.651 1.209 1.00 0.00 C ATOM 266 OE1 GLU A 18 -12.394 -19.766 1.062 1.00 0.00 O ATOM 267 OE2 GLU A 18 -11.651 -17.899 0.286 1.00 0.00 O ATOM 0 H GLU A 18 -9.297 -19.326 4.454 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.889 -18.030 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.120 -20.165 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.772 -19.710 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.355 -17.387 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.648 -17.721 2.690 1.00 0.00 H new ATOM 274 N PRO A 19 -12.101 -19.685 7.148 1.00 0.00 N ATOM 275 CA PRO A 19 -12.330 -20.702 8.206 1.00 0.00 C ATOM 276 C PRO A 19 -13.392 -21.721 7.786 1.00 0.00 C ATOM 277 O PRO A 19 -13.083 -22.853 7.468 1.00 0.00 O ATOM 278 CB PRO A 19 -12.794 -19.877 9.404 1.00 0.00 C ATOM 279 CG PRO A 19 -13.345 -18.610 8.828 1.00 0.00 C ATOM 280 CD PRO A 19 -12.615 -18.361 7.534 1.00 0.00 C ATOM 0 HA PRO A 19 -11.439 -21.293 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.553 -20.410 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.967 -19.672 10.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.417 -18.699 8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.202 -17.778 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.281 -17.955 6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.806 -17.643 7.665 1.00 0.00 H new ATOM 288 N GLU A 20 -14.637 -21.332 7.799 1.00 0.00 N ATOM 289 CA GLU A 20 -15.741 -22.270 7.417 1.00 0.00 C ATOM 290 C GLU A 20 -15.377 -23.084 6.169 1.00 0.00 C ATOM 291 O GLU A 20 -15.855 -24.184 5.975 1.00 0.00 O ATOM 292 CB GLU A 20 -16.941 -21.366 7.128 1.00 0.00 C ATOM 293 CG GLU A 20 -17.340 -20.622 8.404 1.00 0.00 C ATOM 294 CD GLU A 20 -18.683 -21.156 8.905 1.00 0.00 C ATOM 295 OE1 GLU A 20 -18.875 -22.360 8.857 1.00 0.00 O ATOM 296 OE2 GLU A 20 -19.497 -20.352 9.329 1.00 0.00 O ATOM 0 H GLU A 20 -14.944 -20.395 8.060 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.941 -22.995 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.692 -20.653 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.779 -21.961 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.575 -20.754 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.412 -19.552 8.207 1.00 0.00 H new ATOM 303 N LYS A 21 -14.538 -22.555 5.321 1.00 0.00 N ATOM 304 CA LYS A 21 -14.155 -23.307 4.092 1.00 0.00 C ATOM 305 C LYS A 21 -12.872 -24.107 4.331 1.00 0.00 C ATOM 306 O LYS A 21 -12.713 -25.203 3.833 1.00 0.00 O ATOM 307 CB LYS A 21 -13.932 -22.234 3.026 1.00 0.00 C ATOM 308 CG LYS A 21 -15.222 -21.433 2.837 1.00 0.00 C ATOM 309 CD LYS A 21 -16.007 -22.000 1.654 1.00 0.00 C ATOM 310 CE LYS A 21 -15.986 -20.996 0.499 1.00 0.00 C ATOM 311 NZ LYS A 21 -15.675 -21.810 -0.709 1.00 0.00 N ATOM 0 H LYS A 21 -14.103 -21.638 5.425 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.919 -24.025 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.120 -21.572 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.636 -22.697 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.826 -21.478 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.988 -20.383 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.571 -22.947 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.035 -22.207 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.946 -20.490 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.234 -20.224 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.643 -21.192 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.753 -22.275 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.412 -22.532 -0.840 1.00 0.00 H new ATOM 325 N GLY A 22 -11.961 -23.572 5.092 1.00 0.00 N ATOM 326 CA GLY A 22 -10.693 -24.307 5.363 1.00 0.00 C ATOM 327 C GLY A 22 -9.639 -23.922 4.322 1.00 0.00 C ATOM 328 O GLY A 22 -9.945 -23.689 3.169 1.00 0.00 O ATOM 0 H GLY A 22 -12.038 -22.658 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.332 -24.071 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.871 -25.382 5.333 1.00 0.00 H new ATOM 332 N ASP A 23 -8.399 -23.861 4.721 1.00 0.00 N ATOM 333 CA ASP A 23 -7.316 -23.502 3.763 1.00 0.00 C ATOM 334 C ASP A 23 -6.853 -24.751 3.018 1.00 0.00 C ATOM 335 O ASP A 23 -5.719 -25.171 3.134 1.00 0.00 O ATOM 336 CB ASP A 23 -6.186 -22.939 4.626 1.00 0.00 C ATOM 337 CG ASP A 23 -5.397 -21.901 3.822 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.559 -21.865 2.612 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.644 -21.158 4.430 1.00 0.00 O ATOM 0 H ASP A 23 -8.088 -24.045 5.675 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.645 -22.782 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.595 -22.482 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.525 -23.744 4.949 1.00 0.00 H new ATOM 344 N LYS A 24 -7.729 -25.351 2.264 1.00 0.00 N ATOM 345 CA LYS A 24 -7.365 -26.587 1.503 1.00 0.00 C ATOM 346 C LYS A 24 -6.001 -26.437 0.819 1.00 0.00 C ATOM 347 O LYS A 24 -5.304 -27.404 0.584 1.00 0.00 O ATOM 348 CB LYS A 24 -8.472 -26.746 0.461 1.00 0.00 C ATOM 349 CG LYS A 24 -9.487 -27.778 0.954 1.00 0.00 C ATOM 350 CD LYS A 24 -8.983 -29.184 0.622 1.00 0.00 C ATOM 351 CE LYS A 24 -8.859 -29.998 1.912 1.00 0.00 C ATOM 352 NZ LYS A 24 -7.707 -30.915 1.677 1.00 0.00 N ATOM 0 H LYS A 24 -8.692 -25.038 2.138 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.283 -27.454 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.964 -25.789 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.048 -27.063 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.633 -27.676 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.455 -27.606 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.671 -29.675 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.017 -29.127 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.681 -29.352 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.773 -30.556 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.558 -31.508 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.908 -31.522 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.850 -30.356 1.491 1.00 0.00 H new ATOM 366 N PHE A 25 -5.610 -25.232 0.501 1.00 0.00 N ATOM 367 CA PHE A 25 -4.290 -25.032 -0.163 1.00 0.00 C ATOM 368 C PHE A 25 -3.158 -25.207 0.854 1.00 0.00 C ATOM 369 O PHE A 25 -2.051 -25.568 0.508 1.00 0.00 O ATOM 370 CB PHE A 25 -4.321 -23.598 -0.690 1.00 0.00 C ATOM 371 CG PHE A 25 -4.478 -23.616 -2.192 1.00 0.00 C ATOM 372 CD1 PHE A 25 -3.423 -24.053 -3.003 1.00 0.00 C ATOM 373 CD2 PHE A 25 -5.680 -23.195 -2.774 1.00 0.00 C ATOM 374 CE1 PHE A 25 -3.570 -24.069 -4.395 1.00 0.00 C ATOM 375 CE2 PHE A 25 -5.826 -23.212 -4.167 1.00 0.00 C ATOM 376 CZ PHE A 25 -4.772 -23.648 -4.977 1.00 0.00 C ATOM 0 H PHE A 25 -6.145 -24.381 0.672 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.116 -25.753 -0.962 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.145 -23.050 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.403 -23.079 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.496 -24.378 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.494 -22.857 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.756 -24.406 -5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.753 -22.888 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.885 -23.660 -6.051 1.00 0.00 H new ATOM 386 N ALA A 26 -3.428 -24.959 2.107 1.00 0.00 N ATOM 387 CA ALA A 26 -2.367 -25.117 3.144 1.00 0.00 C ATOM 388 C ALA A 26 -2.520 -26.467 3.847 1.00 0.00 C ATOM 389 O ALA A 26 -1.563 -27.041 4.327 1.00 0.00 O ATOM 390 CB ALA A 26 -2.592 -23.967 4.129 1.00 0.00 C ATOM 0 H ALA A 26 -4.336 -24.654 2.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.364 -25.090 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.847 -24.017 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.500 -23.016 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.589 -24.048 4.562 1.00 0.00 H new ATOM 396 N GLY A 27 -3.717 -26.982 3.906 1.00 0.00 N ATOM 397 CA GLY A 27 -3.930 -28.298 4.571 1.00 0.00 C ATOM 398 C GLY A 27 -4.905 -28.137 5.740 1.00 0.00 C ATOM 399 O GLY A 27 -4.832 -28.848 6.722 1.00 0.00 O ATOM 0 H GLY A 27 -4.557 -26.548 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.324 -29.019 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.979 -28.692 4.930 1.00 0.00 H new ATOM 403 N ILE A 28 -5.822 -27.212 5.643 1.00 0.00 N ATOM 404 CA ILE A 28 -6.798 -27.019 6.753 1.00 0.00 C ATOM 405 C ILE A 28 -8.231 -27.199 6.227 1.00 0.00 C ATOM 406 O ILE A 28 -8.660 -26.468 5.355 1.00 0.00 O ATOM 407 CB ILE A 28 -6.571 -25.582 7.228 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.188 -25.467 7.866 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.640 -25.205 8.259 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.595 -24.092 7.550 1.00 0.00 C ATOM 0 H ILE A 28 -5.937 -26.585 4.847 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.664 -27.739 7.560 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.636 -24.907 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.261 -25.605 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.534 -26.253 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.476 -24.181 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.628 -25.284 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.578 -25.881 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.608 -24.008 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.508 -23.973 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.246 -23.314 7.950 1.00 0.00 H new ATOM 422 N PRO A 29 -8.932 -28.166 6.770 1.00 0.00 N ATOM 423 CA PRO A 29 -10.328 -28.426 6.332 1.00 0.00 C ATOM 424 C PRO A 29 -11.249 -27.282 6.777 1.00 0.00 C ATOM 425 O PRO A 29 -10.830 -26.401 7.501 1.00 0.00 O ATOM 426 CB PRO A 29 -10.691 -29.729 7.043 1.00 0.00 C ATOM 427 CG PRO A 29 -9.788 -29.779 8.232 1.00 0.00 C ATOM 428 CD PRO A 29 -8.508 -29.098 7.827 1.00 0.00 C ATOM 0 HA PRO A 29 -10.433 -28.496 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.739 -29.738 7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.537 -30.590 6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.242 -29.275 9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.600 -30.810 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.051 -28.572 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.772 -29.813 7.460 1.00 0.00 H new ATOM 436 N PRO A 30 -12.479 -27.330 6.328 1.00 0.00 N ATOM 437 CA PRO A 30 -13.459 -26.277 6.691 1.00 0.00 C ATOM 438 C PRO A 30 -13.833 -26.390 8.169 1.00 0.00 C ATOM 439 O PRO A 30 -13.161 -27.043 8.944 1.00 0.00 O ATOM 440 CB PRO A 30 -14.664 -26.581 5.805 1.00 0.00 C ATOM 441 CG PRO A 30 -14.548 -28.038 5.501 1.00 0.00 C ATOM 442 CD PRO A 30 -13.075 -28.352 5.456 1.00 0.00 C ATOM 0 HA PRO A 30 -13.075 -25.267 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.600 -26.356 6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.647 -25.983 4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.048 -28.634 6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.024 -28.274 4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.868 -29.359 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.683 -28.292 4.441 1.00 0.00 H new ATOM 450 N GLY A 31 -14.903 -25.761 8.561 1.00 0.00 N ATOM 451 CA GLY A 31 -15.339 -25.824 9.988 1.00 0.00 C ATOM 452 C GLY A 31 -14.152 -25.532 10.914 1.00 0.00 C ATOM 453 O GLY A 31 -13.990 -26.157 11.944 1.00 0.00 O ATOM 0 H GLY A 31 -15.501 -25.201 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.135 -25.101 10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.748 -26.810 10.208 1.00 0.00 H new ATOM 457 N THR A 32 -13.320 -24.592 10.556 1.00 0.00 N ATOM 458 CA THR A 32 -12.145 -24.270 11.419 1.00 0.00 C ATOM 459 C THR A 32 -11.884 -22.757 11.427 1.00 0.00 C ATOM 460 O THR A 32 -11.555 -22.188 10.405 1.00 0.00 O ATOM 461 CB THR A 32 -10.971 -25.007 10.774 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.267 -26.393 10.698 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.712 -24.798 11.616 1.00 0.00 C ATOM 0 H THR A 32 -13.402 -24.034 9.706 1.00 0.00 H new ATOM 0 HA THR A 32 -12.302 -24.570 12.455 1.00 0.00 H new ATOM 0 HB THR A 32 -10.804 -24.616 9.770 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.798 -26.571 9.893 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.875 -25.324 11.156 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.485 -23.733 11.673 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.877 -25.188 12.620 1.00 0.00 H new ATOM 471 N PRO A 33 -12.035 -22.146 12.580 1.00 0.00 N ATOM 472 CA PRO A 33 -11.804 -20.686 12.694 1.00 0.00 C ATOM 473 C PRO A 33 -10.305 -20.375 12.652 1.00 0.00 C ATOM 474 O PRO A 33 -9.480 -21.190 13.010 1.00 0.00 O ATOM 475 CB PRO A 33 -12.392 -20.331 14.055 1.00 0.00 C ATOM 476 CG PRO A 33 -12.343 -21.600 14.845 1.00 0.00 C ATOM 477 CD PRO A 33 -12.429 -22.742 13.866 1.00 0.00 C ATOM 0 HA PRO A 33 -12.256 -20.119 11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.816 -19.543 14.540 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.414 -19.966 13.959 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.420 -21.658 15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.167 -21.641 15.557 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.764 -23.558 14.147 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.437 -23.154 13.822 1.00 0.00 H new ATOM 485 N PHE A 34 -9.951 -19.200 12.213 1.00 0.00 N ATOM 486 CA PHE A 34 -8.509 -18.827 12.142 1.00 0.00 C ATOM 487 C PHE A 34 -7.886 -18.847 13.544 1.00 0.00 C ATOM 488 O PHE A 34 -6.703 -19.074 13.704 1.00 0.00 O ATOM 489 CB PHE A 34 -8.507 -17.408 11.559 1.00 0.00 C ATOM 490 CG PHE A 34 -7.125 -16.805 11.665 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.202 -16.977 10.627 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.770 -16.071 12.802 1.00 0.00 C ATOM 493 CE1 PHE A 34 -4.923 -16.418 10.727 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.491 -15.511 12.904 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.567 -15.685 11.866 1.00 0.00 C ATOM 0 H PHE A 34 -10.600 -18.478 11.899 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.924 -19.518 11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.822 -17.435 10.516 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.226 -16.786 12.093 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.477 -17.541 9.748 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.483 -15.936 13.602 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.211 -16.552 9.926 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.217 -14.945 13.782 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.580 -15.254 11.944 1.00 0.00 H new ATOM 505 N VAL A 35 -8.670 -18.607 14.556 1.00 0.00 N ATOM 506 CA VAL A 35 -8.120 -18.605 15.942 1.00 0.00 C ATOM 507 C VAL A 35 -7.691 -20.017 16.362 1.00 0.00 C ATOM 508 O VAL A 35 -7.063 -20.201 17.386 1.00 0.00 O ATOM 509 CB VAL A 35 -9.271 -18.114 16.818 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.652 -16.690 16.406 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.478 -19.037 16.638 1.00 0.00 C ATOM 0 H VAL A 35 -9.669 -18.412 14.485 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.235 -17.975 16.028 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.962 -18.120 17.863 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.473 -16.338 17.030 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.792 -16.032 16.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.962 -16.684 15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.300 -18.687 17.263 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.788 -19.031 15.593 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.207 -20.052 16.930 1.00 0.00 H new ATOM 521 N ASP A 36 -8.025 -21.017 15.589 1.00 0.00 N ATOM 522 CA ASP A 36 -7.630 -22.407 15.968 1.00 0.00 C ATOM 523 C ASP A 36 -6.552 -22.950 15.020 1.00 0.00 C ATOM 524 O ASP A 36 -6.103 -24.070 15.165 1.00 0.00 O ATOM 525 CB ASP A 36 -8.910 -23.230 15.844 1.00 0.00 C ATOM 526 CG ASP A 36 -9.211 -23.908 17.182 1.00 0.00 C ATOM 527 OD1 ASP A 36 -9.834 -23.276 18.019 1.00 0.00 O ATOM 528 OD2 ASP A 36 -8.811 -25.049 17.348 1.00 0.00 O ATOM 0 H ASP A 36 -8.550 -20.934 14.718 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.208 -22.447 16.972 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.742 -22.588 15.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.799 -23.980 15.061 1.00 0.00 H new ATOM 533 N LEU A 37 -6.130 -22.175 14.055 1.00 0.00 N ATOM 534 CA LEU A 37 -5.080 -22.669 13.114 1.00 0.00 C ATOM 535 C LEU A 37 -3.887 -23.226 13.895 1.00 0.00 C ATOM 536 O LEU A 37 -3.738 -22.982 15.076 1.00 0.00 O ATOM 537 CB LEU A 37 -4.667 -21.440 12.305 1.00 0.00 C ATOM 538 CG LEU A 37 -5.705 -21.181 11.212 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.328 -19.917 10.439 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.748 -22.374 10.256 1.00 0.00 C ATOM 0 H LEU A 37 -6.464 -21.228 13.878 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.442 -23.475 12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.586 -20.571 12.958 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.685 -21.597 11.860 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.686 -21.047 11.667 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.068 -19.733 9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.300 -19.068 11.122 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.347 -20.048 9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.488 -22.190 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.767 -22.511 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.020 -23.273 10.809 1.00 0.00 H new ATOM 552 N SER A 38 -3.037 -23.976 13.247 1.00 0.00 N ATOM 553 CA SER A 38 -1.854 -24.549 13.954 1.00 0.00 C ATOM 554 C SER A 38 -1.110 -23.455 14.725 1.00 0.00 C ATOM 555 O SER A 38 -1.217 -22.283 14.418 1.00 0.00 O ATOM 556 CB SER A 38 -0.970 -25.119 12.846 1.00 0.00 C ATOM 557 OG SER A 38 -1.406 -26.430 12.519 1.00 0.00 O ATOM 0 H SER A 38 -3.110 -24.217 12.259 1.00 0.00 H new ATOM 0 HA SER A 38 -2.139 -25.308 14.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.015 -24.479 11.965 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.070 -25.141 13.171 1.00 0.00 H new ATOM 0 HG SER A 38 -0.840 -26.795 11.807 1.00 0.00 H new ATOM 563 N ASP A 39 -0.356 -23.826 15.723 1.00 0.00 N ATOM 564 CA ASP A 39 0.394 -22.806 16.511 1.00 0.00 C ATOM 565 C ASP A 39 1.398 -22.072 15.616 1.00 0.00 C ATOM 566 O ASP A 39 1.912 -21.031 15.972 1.00 0.00 O ATOM 567 CB ASP A 39 1.122 -23.600 17.595 1.00 0.00 C ATOM 568 CG ASP A 39 0.143 -23.944 18.719 1.00 0.00 C ATOM 569 OD1 ASP A 39 -0.968 -24.343 18.410 1.00 0.00 O ATOM 570 OD2 ASP A 39 0.521 -23.805 19.871 1.00 0.00 O ATOM 0 H ASP A 39 -0.226 -24.791 16.027 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.265 -22.047 16.933 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.542 -24.513 17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.955 -23.018 17.989 1.00 0.00 H new ATOM 575 N SER A 40 1.686 -22.605 14.458 1.00 0.00 N ATOM 576 CA SER A 40 2.659 -21.931 13.552 1.00 0.00 C ATOM 577 C SER A 40 2.200 -22.045 12.094 1.00 0.00 C ATOM 578 O SER A 40 2.946 -22.461 11.230 1.00 0.00 O ATOM 579 CB SER A 40 3.976 -22.679 13.756 1.00 0.00 C ATOM 580 OG SER A 40 4.982 -21.765 14.165 1.00 0.00 O ATOM 0 H SER A 40 1.290 -23.475 14.102 1.00 0.00 H new ATOM 0 HA SER A 40 2.754 -20.868 13.772 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.851 -23.459 14.507 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.273 -23.173 12.831 1.00 0.00 H new ATOM 0 HG SER A 40 5.826 -22.245 14.297 1.00 0.00 H new ATOM 586 N PHE A 41 0.979 -21.677 11.814 1.00 0.00 N ATOM 587 CA PHE A 41 0.481 -21.763 10.410 1.00 0.00 C ATOM 588 C PHE A 41 1.195 -20.725 9.535 1.00 0.00 C ATOM 589 O PHE A 41 1.466 -19.620 9.960 1.00 0.00 O ATOM 590 CB PHE A 41 -1.026 -21.466 10.504 1.00 0.00 C ATOM 591 CG PHE A 41 -1.586 -21.152 9.130 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.013 -22.188 8.288 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.670 -19.823 8.701 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.523 -21.891 7.019 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.180 -19.527 7.432 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.607 -20.561 6.591 1.00 0.00 C ATOM 0 H PHE A 41 0.306 -21.322 12.494 1.00 0.00 H new ATOM 0 HA PHE A 41 0.670 -22.736 9.957 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.547 -22.324 10.929 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.197 -20.624 11.175 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.949 -23.214 8.618 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.341 -19.025 9.350 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.852 -22.689 6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.244 -18.501 7.102 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.001 -20.333 5.612 1.00 0.00 H new ATOM 606 N MET A 42 1.488 -21.072 8.312 1.00 0.00 N ATOM 607 CA MET A 42 2.166 -20.102 7.405 1.00 0.00 C ATOM 608 C MET A 42 1.287 -19.845 6.181 1.00 0.00 C ATOM 609 O MET A 42 0.526 -20.696 5.763 1.00 0.00 O ATOM 610 CB MET A 42 3.480 -20.770 6.987 1.00 0.00 C ATOM 611 CG MET A 42 4.243 -21.235 8.230 1.00 0.00 C ATOM 612 SD MET A 42 6.023 -21.091 7.931 1.00 0.00 S ATOM 613 CE MET A 42 6.569 -22.085 9.341 1.00 0.00 C ATOM 0 H MET A 42 1.288 -21.984 7.901 1.00 0.00 H new ATOM 0 HA MET A 42 2.346 -19.143 7.891 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.276 -21.620 6.335 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.089 -20.070 6.416 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.958 -20.632 9.092 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.985 -22.268 8.464 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.658 -22.132 9.353 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.215 -21.630 10.266 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.163 -23.093 9.254 1.00 0.00 H new ATOM 623 N CYS A 43 1.380 -18.681 5.605 1.00 0.00 N ATOM 624 CA CYS A 43 0.544 -18.378 4.410 1.00 0.00 C ATOM 625 C CYS A 43 0.822 -19.393 3.297 1.00 0.00 C ATOM 626 O CYS A 43 1.964 -19.704 3.023 1.00 0.00 O ATOM 627 CB CYS A 43 0.985 -16.989 3.964 1.00 0.00 C ATOM 628 SG CYS A 43 -0.283 -16.258 2.902 1.00 0.00 S ATOM 0 H CYS A 43 1.997 -17.927 5.908 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.522 -18.425 4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.155 -16.354 4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.931 -17.053 3.426 1.00 0.00 H new ATOM 633 N PRO A 44 -0.228 -19.868 2.674 1.00 0.00 N ATOM 634 CA PRO A 44 -0.064 -20.840 1.569 1.00 0.00 C ATOM 635 C PRO A 44 0.461 -20.136 0.309 1.00 0.00 C ATOM 636 O PRO A 44 0.709 -20.764 -0.701 1.00 0.00 O ATOM 637 CB PRO A 44 -1.476 -21.371 1.342 1.00 0.00 C ATOM 638 CG PRO A 44 -2.381 -20.289 1.840 1.00 0.00 C ATOM 639 CD PRO A 44 -1.643 -19.560 2.932 1.00 0.00 C ATOM 0 HA PRO A 44 0.651 -21.630 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.654 -21.580 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.639 -22.303 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.646 -19.607 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.312 -20.710 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.831 -18.487 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.952 -19.902 3.920 1.00 0.00 H new ATOM 647 N ALA A 45 0.628 -18.836 0.352 1.00 0.00 N ATOM 648 CA ALA A 45 1.128 -18.111 -0.850 1.00 0.00 C ATOM 649 C ALA A 45 2.423 -17.356 -0.534 1.00 0.00 C ATOM 650 O ALA A 45 3.401 -17.464 -1.246 1.00 0.00 O ATOM 651 CB ALA A 45 0.013 -17.130 -1.211 1.00 0.00 C ATOM 0 H ALA A 45 0.440 -18.251 1.166 1.00 0.00 H new ATOM 0 HA ALA A 45 1.359 -18.793 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.305 -16.555 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.902 -17.682 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.160 -16.452 -0.375 1.00 0.00 H new ATOM 657 N CYS A 46 2.439 -16.585 0.518 1.00 0.00 N ATOM 658 CA CYS A 46 3.677 -15.820 0.853 1.00 0.00 C ATOM 659 C CYS A 46 4.416 -16.447 2.057 1.00 0.00 C ATOM 660 O CYS A 46 5.407 -15.924 2.527 1.00 0.00 O ATOM 661 CB CYS A 46 3.195 -14.369 1.106 1.00 0.00 C ATOM 662 SG CYS A 46 2.842 -14.042 2.859 1.00 0.00 S ATOM 0 H CYS A 46 1.656 -16.451 1.157 1.00 0.00 H new ATOM 0 HA CYS A 46 4.416 -15.840 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.956 -13.672 0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.297 -14.181 0.518 1.00 0.00 H new ATOM 667 N ARG A 47 3.956 -17.576 2.536 1.00 0.00 N ATOM 668 CA ARG A 47 4.641 -18.259 3.682 1.00 0.00 C ATOM 669 C ARG A 47 4.753 -17.352 4.918 1.00 0.00 C ATOM 670 O ARG A 47 5.567 -17.592 5.788 1.00 0.00 O ATOM 671 CB ARG A 47 6.033 -18.606 3.154 1.00 0.00 C ATOM 672 CG ARG A 47 6.662 -19.686 4.037 1.00 0.00 C ATOM 673 CD ARG A 47 7.989 -20.137 3.427 1.00 0.00 C ATOM 674 NE ARG A 47 7.611 -21.130 2.382 1.00 0.00 N ATOM 675 CZ ARG A 47 7.994 -22.374 2.493 1.00 0.00 C ATOM 676 NH1 ARG A 47 8.109 -22.919 3.673 1.00 0.00 N ATOM 677 NH2 ARG A 47 8.261 -23.072 1.423 1.00 0.00 N ATOM 0 H ARG A 47 3.130 -18.059 2.182 1.00 0.00 H new ATOM 0 HA ARG A 47 4.078 -19.134 4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.965 -18.958 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.662 -17.716 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.825 -19.298 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.985 -20.535 4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.532 -19.296 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.639 -20.583 4.180 1.00 0.00 H new ATOM 0 HE ARG A 47 7.053 -20.838 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.900 -22.374 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.408 -23.890 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.171 -22.646 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.560 -24.043 1.509 1.00 0.00 H new ATOM 691 N SER A 48 3.948 -16.331 5.020 1.00 0.00 N ATOM 692 CA SER A 48 4.030 -15.450 6.223 1.00 0.00 C ATOM 693 C SER A 48 3.504 -16.202 7.450 1.00 0.00 C ATOM 694 O SER A 48 2.725 -17.123 7.316 1.00 0.00 O ATOM 695 CB SER A 48 3.131 -14.253 5.914 1.00 0.00 C ATOM 696 OG SER A 48 2.712 -13.648 7.128 1.00 0.00 O ATOM 0 H SER A 48 3.243 -16.069 4.331 1.00 0.00 H new ATOM 0 HA SER A 48 5.053 -15.141 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.669 -13.529 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.264 -14.576 5.338 1.00 0.00 H new ATOM 0 HG SER A 48 1.900 -14.091 7.451 1.00 0.00 H new ATOM 702 N PRO A 49 3.942 -15.787 8.612 1.00 0.00 N ATOM 703 CA PRO A 49 3.494 -16.445 9.864 1.00 0.00 C ATOM 704 C PRO A 49 2.027 -16.109 10.144 1.00 0.00 C ATOM 705 O PRO A 49 1.574 -15.009 9.902 1.00 0.00 O ATOM 706 CB PRO A 49 4.407 -15.848 10.932 1.00 0.00 C ATOM 707 CG PRO A 49 4.843 -14.531 10.373 1.00 0.00 C ATOM 708 CD PRO A 49 4.879 -14.684 8.874 1.00 0.00 C ATOM 0 HA PRO A 49 3.554 -17.533 9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.879 -15.721 11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.261 -16.496 11.129 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.152 -13.740 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.825 -14.254 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.570 -13.768 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.883 -14.919 8.520 1.00 0.00 H new ATOM 716 N LYS A 50 1.278 -17.052 10.651 1.00 0.00 N ATOM 717 CA LYS A 50 -0.161 -16.790 10.946 1.00 0.00 C ATOM 718 C LYS A 50 -0.308 -15.525 11.793 1.00 0.00 C ATOM 719 O LYS A 50 -1.327 -14.865 11.765 1.00 0.00 O ATOM 720 CB LYS A 50 -0.636 -18.025 11.716 1.00 0.00 C ATOM 721 CG LYS A 50 -2.155 -17.973 11.888 1.00 0.00 C ATOM 722 CD LYS A 50 -2.545 -18.711 13.171 1.00 0.00 C ATOM 723 CE LYS A 50 -3.851 -18.131 13.716 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.960 -18.669 15.102 1.00 0.00 N ATOM 0 H LYS A 50 1.601 -17.993 10.874 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.748 -16.627 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.352 -18.931 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.151 -18.066 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.492 -16.937 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.646 -18.430 11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.664 -19.776 12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.753 -18.614 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.830 -17.041 13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.703 -18.434 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.833 -18.316 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.984 -19.708 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.139 -18.359 15.660 1.00 0.00 H new ATOM 738 N ASN A 51 0.705 -15.170 12.533 1.00 0.00 N ATOM 739 CA ASN A 51 0.613 -13.934 13.358 1.00 0.00 C ATOM 740 C ASN A 51 0.577 -12.704 12.448 1.00 0.00 C ATOM 741 O ASN A 51 0.277 -11.608 12.880 1.00 0.00 O ATOM 742 CB ASN A 51 1.874 -13.936 14.224 1.00 0.00 C ATOM 743 CG ASN A 51 1.952 -12.632 15.021 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.941 -12.031 15.324 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.119 -12.167 15.375 1.00 0.00 N ATOM 0 H ASN A 51 1.587 -15.678 12.602 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.290 -13.905 13.968 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.860 -14.789 14.903 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.758 -14.044 13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.182 -11.299 15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.968 -12.672 15.120 1.00 0.00 H new ATOM 752 N GLN A 52 0.867 -12.877 11.186 1.00 0.00 N ATOM 753 CA GLN A 52 0.835 -11.722 10.249 1.00 0.00 C ATOM 754 C GLN A 52 -0.552 -11.608 9.600 1.00 0.00 C ATOM 755 O GLN A 52 -0.791 -10.745 8.775 1.00 0.00 O ATOM 756 CB GLN A 52 1.897 -12.044 9.198 1.00 0.00 C ATOM 757 CG GLN A 52 2.905 -10.896 9.122 1.00 0.00 C ATOM 758 CD GLN A 52 2.216 -9.651 8.564 1.00 0.00 C ATOM 759 OE1 GLN A 52 2.365 -8.569 9.098 1.00 0.00 O ATOM 760 NE2 GLN A 52 1.463 -9.757 7.504 1.00 0.00 N ATOM 0 H GLN A 52 1.125 -13.770 10.765 1.00 0.00 H new ATOM 0 HA GLN A 52 1.029 -10.773 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.407 -12.973 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.428 -12.195 8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.311 -10.688 10.112 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.745 -11.176 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.338 -10.665 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.999 -8.932 7.123 1.00 0.00 H new ATOM 769 N PHE A 53 -1.470 -12.472 9.959 1.00 0.00 N ATOM 770 CA PHE A 53 -2.830 -12.401 9.351 1.00 0.00 C ATOM 771 C PHE A 53 -3.751 -11.506 10.190 1.00 0.00 C ATOM 772 O PHE A 53 -3.874 -11.674 11.386 1.00 0.00 O ATOM 773 CB PHE A 53 -3.339 -13.841 9.356 1.00 0.00 C ATOM 774 CG PHE A 53 -2.669 -14.618 8.249 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.326 -14.991 8.370 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.391 -14.965 7.101 1.00 0.00 C ATOM 777 CE1 PHE A 53 -0.702 -15.710 7.345 1.00 0.00 C ATOM 778 CE2 PHE A 53 -2.769 -15.686 6.074 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.424 -16.057 6.197 1.00 0.00 C ATOM 0 H PHE A 53 -1.336 -13.217 10.642 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.807 -11.975 8.348 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.131 -14.308 10.319 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.421 -13.856 9.221 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.770 -14.723 9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.428 -14.677 7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.335 -15.997 7.439 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.326 -15.956 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.943 -16.612 5.405 1.00 0.00 H new ATOM 789 N LYS A 54 -4.405 -10.564 9.565 1.00 0.00 N ATOM 790 CA LYS A 54 -5.327 -9.664 10.318 1.00 0.00 C ATOM 791 C LYS A 54 -6.780 -10.043 10.011 1.00 0.00 C ATOM 792 O LYS A 54 -7.141 -10.262 8.874 1.00 0.00 O ATOM 793 CB LYS A 54 -5.018 -8.257 9.802 1.00 0.00 C ATOM 794 CG LYS A 54 -5.953 -7.249 10.475 1.00 0.00 C ATOM 795 CD LYS A 54 -5.131 -6.108 11.081 1.00 0.00 C ATOM 796 CE LYS A 54 -5.439 -5.998 12.576 1.00 0.00 C ATOM 797 NZ LYS A 54 -4.631 -7.075 13.211 1.00 0.00 N ATOM 0 H LYS A 54 -4.341 -10.378 8.564 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.194 -9.736 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.979 -8.001 10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.144 -8.219 8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.661 -6.853 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.537 -7.742 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.067 -6.292 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.367 -5.169 10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.166 -5.017 12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.503 -6.134 12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.748 -7.034 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.952 -8.001 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.628 -6.944 12.970 1.00 0.00 H new ATOM 811 N SER A 55 -7.613 -10.135 11.012 1.00 0.00 N ATOM 812 CA SER A 55 -9.034 -10.516 10.755 1.00 0.00 C ATOM 813 C SER A 55 -9.740 -9.457 9.914 1.00 0.00 C ATOM 814 O SER A 55 -9.170 -8.453 9.538 1.00 0.00 O ATOM 815 CB SER A 55 -9.693 -10.608 12.129 1.00 0.00 C ATOM 816 OG SER A 55 -9.634 -9.344 12.769 1.00 0.00 O ATOM 0 H SER A 55 -7.375 -9.965 11.989 1.00 0.00 H new ATOM 0 HA SER A 55 -9.094 -11.455 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.730 -10.927 12.026 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.188 -11.359 12.737 1.00 0.00 H new ATOM 0 HG SER A 55 -10.059 -9.403 13.650 1.00 0.00 H new ATOM 822 N ILE A 56 -10.989 -9.684 9.628 1.00 0.00 N ATOM 823 CA ILE A 56 -11.769 -8.706 8.813 1.00 0.00 C ATOM 824 C ILE A 56 -13.272 -8.921 9.021 1.00 0.00 C ATOM 825 O ILE A 56 -13.896 -9.707 8.336 1.00 0.00 O ATOM 826 CB ILE A 56 -11.378 -8.994 7.364 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.200 -8.109 6.424 1.00 0.00 C ATOM 828 CG2 ILE A 56 -11.650 -10.465 7.044 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.504 -8.027 5.064 1.00 0.00 C ATOM 0 H ILE A 56 -11.510 -10.510 9.924 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.557 -7.674 9.093 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.318 -8.781 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.204 -8.518 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.310 -7.111 6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.371 -10.670 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.063 -11.097 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.710 -10.678 7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.088 -7.397 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.510 -7.599 5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -11.417 -9.027 4.639 1.00 0.00 H new ATOM 841 N LYS A 57 -13.861 -8.231 9.959 1.00 0.00 N ATOM 842 CA LYS A 57 -15.323 -8.402 10.203 1.00 0.00 C ATOM 843 C LYS A 57 -16.036 -7.047 10.152 1.00 0.00 C ATOM 844 O LYS A 57 -16.419 -6.496 11.165 1.00 0.00 O ATOM 845 CB LYS A 57 -15.427 -9.010 11.603 1.00 0.00 C ATOM 846 CG LYS A 57 -14.691 -8.118 12.606 1.00 0.00 C ATOM 847 CD LYS A 57 -15.490 -8.048 13.910 1.00 0.00 C ATOM 848 CE LYS A 57 -14.956 -9.093 14.893 1.00 0.00 C ATOM 849 NZ LYS A 57 -14.489 -8.305 16.069 1.00 0.00 N ATOM 0 H LYS A 57 -13.395 -7.557 10.566 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.792 -9.034 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.474 -9.110 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.997 -10.012 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.694 -8.515 12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.561 -7.118 12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.411 -7.051 14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.547 -8.227 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.733 -9.803 15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.142 -9.669 14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.108 -8.950 16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.746 -7.642 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.287 -7.772 16.469 1.00 0.00 H new ATOM 863 N LYS A 58 -16.220 -6.509 8.977 1.00 0.00 N ATOM 864 CA LYS A 58 -16.912 -5.192 8.859 1.00 0.00 C ATOM 865 C LYS A 58 -18.427 -5.396 8.784 1.00 0.00 C ATOM 866 O LYS A 58 -18.908 -6.330 8.175 1.00 0.00 O ATOM 867 CB LYS A 58 -16.387 -4.584 7.557 1.00 0.00 C ATOM 868 CG LYS A 58 -17.033 -3.214 7.338 1.00 0.00 C ATOM 869 CD LYS A 58 -17.754 -3.195 5.988 1.00 0.00 C ATOM 870 CE LYS A 58 -17.785 -1.763 5.450 1.00 0.00 C ATOM 871 NZ LYS A 58 -17.465 -1.891 3.999 1.00 0.00 N ATOM 0 H LYS A 58 -15.922 -6.923 8.094 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.721 -4.546 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.302 -4.484 7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.613 -5.243 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.738 -3.001 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.273 -2.434 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.244 -3.850 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.769 -3.576 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.763 -1.306 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.057 -1.133 5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.467 -0.949 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.526 -2.323 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.179 -2.490 3.538 1.00 0.00 H new ATOM 885 N VAL A 59 -19.183 -4.528 9.399 1.00 0.00 N ATOM 886 CA VAL A 59 -20.667 -4.670 9.363 1.00 0.00 C ATOM 887 C VAL A 59 -21.329 -3.291 9.360 1.00 0.00 C ATOM 888 O VAL A 59 -20.948 -2.407 10.101 1.00 0.00 O ATOM 889 CB VAL A 59 -21.025 -5.429 10.642 1.00 0.00 C ATOM 890 CG1 VAL A 59 -20.573 -4.616 11.858 1.00 0.00 C ATOM 891 CG2 VAL A 59 -22.540 -5.639 10.704 1.00 0.00 C ATOM 0 H VAL A 59 -18.837 -3.726 9.925 1.00 0.00 H new ATOM 0 HA VAL A 59 -21.009 -5.191 8.469 1.00 0.00 H new ATOM 0 HB VAL A 59 -20.524 -6.397 10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.827 -5.155 12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -19.494 -4.465 11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -21.075 -3.649 11.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -22.795 -6.180 11.615 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -23.042 -4.671 10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -22.863 -6.216 9.837 1.00 0.00 H new ATOM 901 N ILE A 60 -22.320 -3.101 8.533 1.00 0.00 N ATOM 902 CA ILE A 60 -23.008 -1.780 8.487 1.00 0.00 C ATOM 903 C ILE A 60 -24.525 -1.977 8.445 1.00 0.00 C ATOM 904 O ILE A 60 -25.021 -2.930 7.878 1.00 0.00 O ATOM 905 CB ILE A 60 -22.518 -1.121 7.197 1.00 0.00 C ATOM 906 CG1 ILE A 60 -23.221 0.224 7.009 1.00 0.00 C ATOM 907 CG2 ILE A 60 -22.833 -2.032 6.009 1.00 0.00 C ATOM 908 CD1 ILE A 60 -22.905 1.136 8.197 1.00 0.00 C ATOM 0 H ILE A 60 -22.683 -3.803 7.888 1.00 0.00 H new ATOM 0 HA ILE A 60 -22.790 -1.170 9.364 1.00 0.00 H new ATOM 0 HB ILE A 60 -21.442 -0.961 7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.893 0.691 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -24.298 0.075 6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.484 -1.563 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.330 -2.990 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -23.909 -2.193 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -23.406 2.095 8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -23.255 0.669 9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.828 1.295 8.258 1.00 0.00 H new ATOM 920 N ALA A 61 -25.268 -1.083 9.040 1.00 0.00 N ATOM 921 CA ALA A 61 -26.754 -1.219 9.035 1.00 0.00 C ATOM 922 C ALA A 61 -27.164 -2.578 9.611 1.00 0.00 C ATOM 923 O ALA A 61 -26.384 -3.252 10.254 1.00 0.00 O ATOM 924 CB ALA A 61 -27.160 -1.114 7.563 1.00 0.00 C ATOM 0 H ALA A 61 -24.910 -0.263 9.530 1.00 0.00 H new ATOM 0 HA ALA A 61 -27.239 -0.457 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -28.243 -1.205 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -26.844 -0.149 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -26.682 -1.913 6.996 1.00 0.00 H new ATOM 930 N GLY A 62 -28.385 -2.984 9.388 1.00 0.00 N ATOM 931 CA GLY A 62 -28.844 -4.296 9.924 1.00 0.00 C ATOM 932 C GLY A 62 -29.715 -4.063 11.160 1.00 0.00 C ATOM 933 O GLY A 62 -29.225 -3.971 12.269 1.00 0.00 O ATOM 0 H GLY A 62 -29.084 -2.463 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -29.409 -4.834 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -27.986 -4.916 10.182 1.00 0.00 H new ATOM 937 N PHE A 63 -31.004 -3.969 10.980 1.00 0.00 N ATOM 938 CA PHE A 63 -31.906 -3.744 12.147 1.00 0.00 C ATOM 939 C PHE A 63 -33.190 -4.561 11.986 1.00 0.00 C ATOM 940 O PHE A 63 -33.348 -5.306 11.040 1.00 0.00 O ATOM 941 CB PHE A 63 -32.216 -2.245 12.127 1.00 0.00 C ATOM 942 CG PHE A 63 -31.417 -1.554 13.206 1.00 0.00 C ATOM 943 CD1 PHE A 63 -31.672 -1.836 14.553 1.00 0.00 C ATOM 944 CD2 PHE A 63 -30.422 -0.634 12.859 1.00 0.00 C ATOM 945 CE1 PHE A 63 -30.931 -1.197 15.554 1.00 0.00 C ATOM 946 CE2 PHE A 63 -29.680 0.007 13.860 1.00 0.00 C ATOM 947 CZ PHE A 63 -29.935 -0.276 15.208 1.00 0.00 C ATOM 0 H PHE A 63 -31.472 -4.038 10.076 1.00 0.00 H new ATOM 0 HA PHE A 63 -31.449 -4.052 13.088 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -31.971 -1.825 11.152 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -33.282 -2.080 12.286 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -32.440 -2.546 14.820 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -30.226 -0.418 11.819 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -31.128 -1.415 16.593 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -28.913 0.718 13.593 1.00 0.00 H new ATOM 0 HZ PHE A 63 -29.363 0.216 15.981 1.00 0.00 H new ATOM 957 N ALA A 64 -34.109 -4.430 12.904 1.00 0.00 N ATOM 958 CA ALA A 64 -35.380 -5.202 12.800 1.00 0.00 C ATOM 959 C ALA A 64 -36.511 -4.464 13.522 1.00 0.00 C ATOM 960 O ALA A 64 -37.328 -5.064 14.190 1.00 0.00 O ATOM 961 CB ALA A 64 -35.090 -6.538 13.485 1.00 0.00 C ATOM 0 H ALA A 64 -34.035 -3.823 13.720 1.00 0.00 H new ATOM 0 HA ALA A 64 -35.698 -5.334 11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -35.980 -7.166 13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -34.271 -7.041 12.970 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -34.811 -6.361 14.524 1.00 0.00 H new ATOM 967 N GLU A 65 -36.563 -3.166 13.391 1.00 0.00 N ATOM 968 CA GLU A 65 -37.643 -2.394 14.072 1.00 0.00 C ATOM 969 C GLU A 65 -38.990 -2.670 13.398 1.00 0.00 C ATOM 970 O GLU A 65 -39.109 -2.629 12.190 1.00 0.00 O ATOM 971 CB GLU A 65 -37.249 -0.926 13.901 1.00 0.00 C ATOM 972 CG GLU A 65 -36.957 -0.314 15.272 1.00 0.00 C ATOM 973 CD GLU A 65 -37.656 1.042 15.386 1.00 0.00 C ATOM 974 OE1 GLU A 65 -37.319 1.927 14.617 1.00 0.00 O ATOM 975 OE2 GLU A 65 -38.517 1.173 16.242 1.00 0.00 O ATOM 0 H GLU A 65 -35.907 -2.608 12.844 1.00 0.00 H new ATOM 0 HA GLU A 65 -37.749 -2.667 15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -36.371 -0.846 13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -38.053 -0.377 13.410 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -37.304 -0.981 16.061 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -35.882 -0.193 15.406 1.00 0.00 H new ATOM 982 N ASN A 66 -40.004 -2.953 14.169 1.00 0.00 N ATOM 983 CA ASN A 66 -41.339 -3.233 13.568 1.00 0.00 C ATOM 984 C ASN A 66 -42.342 -2.149 13.968 1.00 0.00 C ATOM 985 O ASN A 66 -43.433 -2.436 14.420 1.00 0.00 O ATOM 986 CB ASN A 66 -41.757 -4.588 14.141 1.00 0.00 C ATOM 987 CG ASN A 66 -41.429 -5.690 13.134 1.00 0.00 C ATOM 988 OD1 ASN A 66 -40.884 -5.424 12.081 1.00 0.00 O ATOM 989 ND2 ASN A 66 -41.741 -6.926 13.411 1.00 0.00 N ATOM 0 H ASN A 66 -39.966 -3.002 15.187 1.00 0.00 H new ATOM 0 HA ASN A 66 -41.304 -3.244 12.479 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -41.237 -4.773 15.081 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -42.824 -4.588 14.361 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -41.527 -7.668 12.744 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -42.198 -7.151 14.295 1.00 0.00 H new ATOM 996 N GLN A 67 -41.986 -0.904 13.804 1.00 0.00 N ATOM 997 CA GLN A 67 -42.925 0.192 14.172 1.00 0.00 C ATOM 998 C GLN A 67 -44.000 0.347 13.092 1.00 0.00 C ATOM 999 O GLN A 67 -43.897 -0.211 12.018 1.00 0.00 O ATOM 1000 CB GLN A 67 -42.060 1.450 14.251 1.00 0.00 C ATOM 1001 CG GLN A 67 -42.464 2.272 15.477 1.00 0.00 C ATOM 1002 CD GLN A 67 -42.006 3.719 15.295 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -41.559 4.098 14.231 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -42.098 4.551 16.296 1.00 0.00 N ATOM 0 H GLN A 67 -41.087 -0.599 13.432 1.00 0.00 H new ATOM 0 HA GLN A 67 -43.441 -0.004 15.112 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -41.007 1.176 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -42.181 2.045 13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -43.545 2.236 15.612 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -42.016 1.848 16.376 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -42.473 4.234 17.190 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -41.795 5.518 16.185 1.00 0.00 H new ATOM 1013 N LYS A 68 -45.030 1.099 13.368 1.00 0.00 N ATOM 1014 CA LYS A 68 -46.106 1.284 12.352 1.00 0.00 C ATOM 1015 C LYS A 68 -45.798 2.498 11.471 1.00 0.00 C ATOM 1016 O LYS A 68 -45.475 2.366 10.307 1.00 0.00 O ATOM 1017 CB LYS A 68 -47.380 1.519 13.164 1.00 0.00 C ATOM 1018 CG LYS A 68 -48.449 0.513 12.737 1.00 0.00 C ATOM 1019 CD LYS A 68 -48.416 -0.696 13.673 1.00 0.00 C ATOM 1020 CE LYS A 68 -48.016 -1.944 12.883 1.00 0.00 C ATOM 1021 NZ LYS A 68 -48.586 -3.085 13.655 1.00 0.00 N ATOM 0 H LYS A 68 -45.173 1.592 14.249 1.00 0.00 H new ATOM 0 HA LYS A 68 -46.199 0.425 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -47.170 1.413 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -47.740 2.536 13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -49.434 0.980 12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -48.274 0.195 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -47.707 -0.523 14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -49.394 -0.841 14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -48.415 -1.914 11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -46.933 -2.027 12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -48.354 -3.979 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -48.183 -3.091 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -49.619 -2.982 13.714 1.00 0.00 H new ATOM 1035 N TYR A 69 -45.895 3.679 12.018 1.00 0.00 N ATOM 1036 CA TYR A 69 -45.609 4.901 11.212 1.00 0.00 C ATOM 1037 C TYR A 69 -44.116 5.240 11.270 1.00 0.00 C ATOM 1038 O TYR A 69 -43.633 5.802 12.232 1.00 0.00 O ATOM 1039 CB TYR A 69 -46.432 6.007 11.871 1.00 0.00 C ATOM 1040 CG TYR A 69 -47.173 6.788 10.812 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -46.504 7.767 10.069 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -48.529 6.534 10.577 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -47.191 8.493 9.088 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -49.217 7.261 9.596 1.00 0.00 C ATOM 1045 CZ TYR A 69 -48.548 8.240 8.852 1.00 0.00 C ATOM 1046 OH TYR A 69 -49.225 8.956 7.887 1.00 0.00 O ATOM 0 H TYR A 69 -46.160 3.851 12.988 1.00 0.00 H new ATOM 0 HA TYR A 69 -45.863 4.770 10.160 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -47.139 5.575 12.579 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -45.779 6.672 12.437 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -45.458 7.963 10.252 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -49.045 5.778 11.151 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -46.674 9.248 8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -50.264 7.066 9.414 1.00 0.00 H new ATOM 0 HH TYR A 69 -50.157 8.656 7.851 1.00 0.00 H new ATOM 1056 N GLY A 70 -43.379 4.902 10.246 1.00 0.00 N ATOM 1057 CA GLY A 70 -41.920 5.207 10.245 1.00 0.00 C ATOM 1058 C GLY A 70 -41.713 6.703 9.997 1.00 0.00 C ATOM 1059 O GLY A 70 -41.649 7.089 8.841 1.00 0.00 O ATOM 1060 OXT GLY A 70 -41.619 7.437 10.967 1.00 0.00 O ATOM 0 H GLY A 70 -43.724 4.428 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -41.477 4.921 11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -41.416 4.626 9.472 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.489 -14.041 2.860 1.00 0.00 ZN