USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -141:sc= 0.283 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 70:sc= 1.19 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 -157:sc= 0 (180deg=-0.749) USER MOD Single : A 48 SER OG : rot 114:sc= 1.18 USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.0182 (180deg=-0.232) USER MOD Single : A 51 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.1!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.806 F(o=-4,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.652 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= -0.0528 X(o=-0.053,f=-0.29) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.115) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.938 -4.191 3.177 1.00 0.00 N ATOM 2 CA MET A 1 -18.386 -3.915 2.951 1.00 0.00 C ATOM 3 C MET A 1 -19.244 -4.966 3.660 1.00 0.00 C ATOM 4 O MET A 1 -19.629 -5.961 3.078 1.00 0.00 O ATOM 5 CB MET A 1 -18.573 -4.005 1.435 1.00 0.00 C ATOM 6 CG MET A 1 -19.494 -2.879 0.965 1.00 0.00 C ATOM 7 SD MET A 1 -19.053 -2.406 -0.726 1.00 0.00 S ATOM 8 CE MET A 1 -18.672 -0.670 -0.386 1.00 0.00 C ATOM 0 H1 MET A 1 -16.367 -3.470 2.691 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.734 -4.164 4.197 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.701 -5.132 2.802 1.00 0.00 H new ATOM 0 HA MET A 1 -18.687 -2.944 3.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.608 -3.932 0.934 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.998 -4.972 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.533 -3.205 1.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.404 -2.020 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.371 -0.176 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.556 -0.176 0.018 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.860 -0.611 0.339 1.00 0.00 H new ATOM 20 N GLU A 2 -19.548 -4.755 4.911 1.00 0.00 N ATOM 21 CA GLU A 2 -20.381 -5.746 5.653 1.00 0.00 C ATOM 22 C GLU A 2 -19.777 -7.146 5.526 1.00 0.00 C ATOM 23 O GLU A 2 -20.325 -8.011 4.872 1.00 0.00 O ATOM 24 CB GLU A 2 -21.754 -5.690 4.982 1.00 0.00 C ATOM 25 CG GLU A 2 -22.821 -6.197 5.954 1.00 0.00 C ATOM 26 CD GLU A 2 -22.898 -7.723 5.881 1.00 0.00 C ATOM 27 OE1 GLU A 2 -23.104 -8.235 4.792 1.00 0.00 O ATOM 28 OE2 GLU A 2 -22.750 -8.355 6.913 1.00 0.00 O ATOM 0 H GLU A 2 -19.257 -3.941 5.452 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.439 -5.522 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.980 -4.668 4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.753 -6.298 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.581 -5.883 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.789 -5.762 5.707 1.00 0.00 H new ATOM 35 N ILE A 3 -18.652 -7.377 6.146 1.00 0.00 N ATOM 36 CA ILE A 3 -18.018 -8.723 6.057 1.00 0.00 C ATOM 37 C ILE A 3 -17.564 -9.189 7.442 1.00 0.00 C ATOM 38 O ILE A 3 -16.992 -8.435 8.202 1.00 0.00 O ATOM 39 CB ILE A 3 -16.815 -8.544 5.126 1.00 0.00 C ATOM 40 CG1 ILE A 3 -15.938 -7.395 5.631 1.00 0.00 C ATOM 41 CG2 ILE A 3 -17.306 -8.229 3.712 1.00 0.00 C ATOM 42 CD1 ILE A 3 -14.734 -7.228 4.701 1.00 0.00 C ATOM 0 H ILE A 3 -18.146 -6.694 6.709 1.00 0.00 H new ATOM 0 HA ILE A 3 -18.710 -9.477 5.681 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.230 -9.464 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -16.515 -6.471 5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -15.601 -7.600 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.450 -8.102 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.925 -9.050 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -17.893 -7.311 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.108 -6.410 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.153 -8.150 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.082 -7.004 3.692 1.00 0.00 H new ATOM 54 N ASP A 4 -17.807 -10.431 7.765 1.00 0.00 N ATOM 55 CA ASP A 4 -17.391 -10.968 9.085 1.00 0.00 C ATOM 56 C ASP A 4 -17.802 -12.432 9.189 1.00 0.00 C ATOM 57 O ASP A 4 -18.969 -12.768 9.237 1.00 0.00 O ATOM 58 CB ASP A 4 -18.124 -10.149 10.137 1.00 0.00 C ATOM 59 CG ASP A 4 -19.633 -10.241 9.902 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.091 -9.710 8.905 1.00 0.00 O ATOM 61 OD2 ASP A 4 -20.304 -10.845 10.723 1.00 0.00 O ATOM 0 H ASP A 4 -18.282 -11.101 7.160 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.311 -10.905 9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.878 -10.516 11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.802 -9.109 10.092 1.00 0.00 H new ATOM 66 N GLU A 5 -16.844 -13.296 9.218 1.00 0.00 N ATOM 67 CA GLU A 5 -17.140 -14.755 9.313 1.00 0.00 C ATOM 68 C GLU A 5 -15.857 -15.529 9.628 1.00 0.00 C ATOM 69 O GLU A 5 -15.559 -16.535 9.014 1.00 0.00 O ATOM 70 CB GLU A 5 -17.675 -15.139 7.932 1.00 0.00 C ATOM 71 CG GLU A 5 -18.422 -16.471 8.021 1.00 0.00 C ATOM 72 CD GLU A 5 -18.670 -17.011 6.611 1.00 0.00 C ATOM 73 OE1 GLU A 5 -17.766 -16.917 5.796 1.00 0.00 O ATOM 74 OE2 GLU A 5 -19.757 -17.507 6.370 1.00 0.00 O ATOM 0 H GLU A 5 -15.852 -13.060 9.180 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.854 -14.985 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.342 -14.361 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.852 -15.219 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.840 -17.189 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.370 -16.335 8.542 1.00 0.00 H new ATOM 81 N GLY A 6 -15.093 -15.063 10.578 1.00 0.00 N ATOM 82 CA GLY A 6 -13.826 -15.764 10.931 1.00 0.00 C ATOM 83 C GLY A 6 -12.851 -15.690 9.751 1.00 0.00 C ATOM 84 O GLY A 6 -11.882 -16.421 9.690 1.00 0.00 O ATOM 0 H GLY A 6 -15.292 -14.226 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.379 -15.307 11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -14.032 -16.805 11.181 1.00 0.00 H new ATOM 88 N LYS A 7 -13.094 -14.811 8.815 1.00 0.00 N ATOM 89 CA LYS A 7 -12.176 -14.691 7.646 1.00 0.00 C ATOM 90 C LYS A 7 -11.002 -13.777 8.000 1.00 0.00 C ATOM 91 O LYS A 7 -11.152 -12.816 8.728 1.00 0.00 O ATOM 92 CB LYS A 7 -13.027 -14.066 6.539 1.00 0.00 C ATOM 93 CG LYS A 7 -13.330 -15.116 5.469 1.00 0.00 C ATOM 94 CD LYS A 7 -13.733 -14.417 4.169 1.00 0.00 C ATOM 95 CE LYS A 7 -15.134 -14.870 3.758 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.746 -13.676 3.109 1.00 0.00 N ATOM 0 H LYS A 7 -13.888 -14.171 8.810 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.757 -15.651 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.957 -13.679 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.500 -13.221 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.454 -15.743 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.132 -15.773 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.714 -13.336 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.018 -14.652 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.091 -15.715 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.715 -15.192 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.711 -13.906 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.780 -12.890 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.175 -13.397 2.286 1.00 0.00 H new ATOM 110 N TYR A 8 -9.833 -14.063 7.496 1.00 0.00 N ATOM 111 CA TYR A 8 -8.661 -13.198 7.819 1.00 0.00 C ATOM 112 C TYR A 8 -7.920 -12.801 6.540 1.00 0.00 C ATOM 113 O TYR A 8 -7.800 -13.576 5.612 1.00 0.00 O ATOM 114 CB TYR A 8 -7.763 -14.056 8.711 1.00 0.00 C ATOM 115 CG TYR A 8 -8.311 -14.074 10.116 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.489 -14.776 10.398 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.644 -13.386 11.137 1.00 0.00 C ATOM 118 CE1 TYR A 8 -10.000 -14.792 11.700 1.00 0.00 C ATOM 119 CE2 TYR A 8 -8.156 -13.401 12.440 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.334 -14.105 12.721 1.00 0.00 C ATOM 121 OH TYR A 8 -9.838 -14.118 14.007 1.00 0.00 O ATOM 0 H TYR A 8 -9.638 -14.852 6.879 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.961 -12.273 8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.708 -15.071 8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.748 -13.659 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.004 -15.306 9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.735 -12.844 10.920 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.908 -15.334 11.917 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.643 -12.870 13.228 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.254 -13.593 14.593 1.00 0.00 H new ATOM 131 N GLU A 9 -7.413 -11.600 6.492 1.00 0.00 N ATOM 132 CA GLU A 9 -6.669 -11.151 5.281 1.00 0.00 C ATOM 133 C GLU A 9 -5.185 -10.979 5.618 1.00 0.00 C ATOM 134 O GLU A 9 -4.833 -10.409 6.631 1.00 0.00 O ATOM 135 CB GLU A 9 -7.294 -9.807 4.903 1.00 0.00 C ATOM 136 CG GLU A 9 -6.588 -9.243 3.666 1.00 0.00 C ATOM 137 CD GLU A 9 -5.535 -8.217 4.095 1.00 0.00 C ATOM 138 OE1 GLU A 9 -5.230 -8.164 5.277 1.00 0.00 O ATOM 139 OE2 GLU A 9 -5.048 -7.502 3.235 1.00 0.00 O ATOM 0 H GLU A 9 -7.482 -10.909 7.240 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.733 -11.869 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.358 -9.933 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.208 -9.107 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.116 -10.050 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.315 -8.776 3.002 1.00 0.00 H new ATOM 146 N CYS A 10 -4.313 -11.470 4.780 1.00 0.00 N ATOM 147 CA CYS A 10 -2.855 -11.334 5.062 1.00 0.00 C ATOM 148 C CYS A 10 -2.378 -9.923 4.733 1.00 0.00 C ATOM 149 O CYS A 10 -2.348 -9.524 3.586 1.00 0.00 O ATOM 150 CB CYS A 10 -2.174 -12.330 4.128 1.00 0.00 C ATOM 151 SG CYS A 10 -0.535 -12.755 4.762 1.00 0.00 S ATOM 0 H CYS A 10 -4.546 -11.958 3.915 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.629 -11.521 6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.782 -13.230 4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.087 -11.903 3.129 1.00 0.00 H new ATOM 156 N GLU A 11 -1.980 -9.173 5.717 1.00 0.00 N ATOM 157 CA GLU A 11 -1.478 -7.801 5.434 1.00 0.00 C ATOM 158 C GLU A 11 -0.120 -7.887 4.727 1.00 0.00 C ATOM 159 O GLU A 11 0.398 -6.907 4.231 1.00 0.00 O ATOM 160 CB GLU A 11 -1.324 -7.145 6.803 1.00 0.00 C ATOM 161 CG GLU A 11 -2.252 -5.932 6.897 1.00 0.00 C ATOM 162 CD GLU A 11 -2.229 -5.378 8.323 1.00 0.00 C ATOM 163 OE1 GLU A 11 -2.182 -6.174 9.247 1.00 0.00 O ATOM 164 OE2 GLU A 11 -2.260 -4.167 8.467 1.00 0.00 O ATOM 0 H GLU A 11 -1.979 -9.446 6.700 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.148 -7.235 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.563 -7.861 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.290 -6.837 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.935 -5.163 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.268 -6.216 6.623 1.00 0.00 H new ATOM 171 N ALA A 12 0.468 -9.057 4.694 1.00 0.00 N ATOM 172 CA ALA A 12 1.798 -9.211 4.040 1.00 0.00 C ATOM 173 C ALA A 12 1.661 -9.435 2.529 1.00 0.00 C ATOM 174 O ALA A 12 2.436 -8.912 1.753 1.00 0.00 O ATOM 175 CB ALA A 12 2.416 -10.441 4.703 1.00 0.00 C ATOM 0 H ALA A 12 0.081 -9.912 5.093 1.00 0.00 H new ATOM 0 HA ALA A 12 2.408 -8.315 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.402 -10.627 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.510 -10.268 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.777 -11.307 4.530 1.00 0.00 H new ATOM 181 N CYS A 13 0.703 -10.217 2.094 1.00 0.00 N ATOM 182 CA CYS A 13 0.575 -10.458 0.628 1.00 0.00 C ATOM 183 C CYS A 13 -0.827 -10.092 0.116 1.00 0.00 C ATOM 184 O CYS A 13 -0.988 -9.658 -1.008 1.00 0.00 O ATOM 185 CB CYS A 13 0.898 -11.953 0.445 1.00 0.00 C ATOM 186 SG CYS A 13 -0.508 -12.997 0.925 1.00 0.00 S ATOM 0 H CYS A 13 0.016 -10.690 2.681 1.00 0.00 H new ATOM 0 HA CYS A 13 1.251 -9.832 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.158 -12.146 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.769 -12.215 1.045 1.00 0.00 H new ATOM 191 N GLY A 14 -1.838 -10.255 0.924 1.00 0.00 N ATOM 192 CA GLY A 14 -3.216 -9.903 0.468 1.00 0.00 C ATOM 193 C GLY A 14 -4.053 -11.176 0.309 1.00 0.00 C ATOM 194 O GLY A 14 -5.039 -11.197 -0.401 1.00 0.00 O ATOM 0 H GLY A 14 -1.772 -10.615 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.687 -9.235 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.169 -9.367 -0.480 1.00 0.00 H new ATOM 198 N TYR A 15 -3.671 -12.232 0.966 1.00 0.00 N ATOM 199 CA TYR A 15 -4.439 -13.505 0.864 1.00 0.00 C ATOM 200 C TYR A 15 -5.626 -13.476 1.832 1.00 0.00 C ATOM 201 O TYR A 15 -5.728 -12.606 2.674 1.00 0.00 O ATOM 202 CB TYR A 15 -3.438 -14.593 1.261 1.00 0.00 C ATOM 203 CG TYR A 15 -4.135 -15.930 1.335 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.712 -16.350 2.539 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.200 -16.751 0.203 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.354 -17.591 2.612 1.00 0.00 C ATOM 207 CE2 TYR A 15 -4.841 -17.993 0.276 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.419 -18.413 1.480 1.00 0.00 C ATOM 209 OH TYR A 15 -6.051 -19.639 1.554 1.00 0.00 O ATOM 0 H TYR A 15 -2.853 -12.270 1.575 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.848 -13.674 -0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.627 -14.636 0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.990 -14.353 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.662 -15.716 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.756 -16.426 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.799 -17.915 3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.890 -18.628 -0.597 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.008 -20.083 0.681 1.00 0.00 H new ATOM 219 N ILE A 16 -6.528 -14.413 1.719 1.00 0.00 N ATOM 220 CA ILE A 16 -7.704 -14.422 2.635 1.00 0.00 C ATOM 221 C ILE A 16 -7.950 -15.826 3.183 1.00 0.00 C ATOM 222 O ILE A 16 -8.276 -16.742 2.454 1.00 0.00 O ATOM 223 CB ILE A 16 -8.879 -13.975 1.768 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.618 -12.555 1.263 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.169 -14.005 2.592 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.584 -11.580 2.444 1.00 0.00 C ATOM 0 H ILE A 16 -6.502 -15.169 1.035 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.556 -13.772 3.497 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.986 -14.650 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.671 -12.520 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.397 -12.261 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.005 -13.685 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.349 -15.019 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.072 -13.332 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.398 -10.571 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.541 -11.606 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.789 -11.869 3.131 1.00 0.00 H new ATOM 238 N TYR A 17 -7.804 -16.000 4.465 1.00 0.00 N ATOM 239 CA TYR A 17 -8.038 -17.345 5.064 1.00 0.00 C ATOM 240 C TYR A 17 -9.540 -17.591 5.221 1.00 0.00 C ATOM 241 O TYR A 17 -10.281 -16.726 5.647 1.00 0.00 O ATOM 242 CB TYR A 17 -7.351 -17.309 6.435 1.00 0.00 C ATOM 243 CG TYR A 17 -7.700 -18.563 7.211 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.155 -19.795 6.833 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.580 -18.492 8.301 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.485 -20.956 7.544 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.912 -19.654 9.011 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.363 -20.885 8.632 1.00 0.00 C ATOM 249 OH TYR A 17 -8.690 -22.029 9.331 1.00 0.00 O ATOM 0 H TYR A 17 -7.533 -15.271 5.125 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.643 -18.147 4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.271 -17.235 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.669 -16.426 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.479 -19.851 5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.002 -17.542 8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.062 -21.906 7.253 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.591 -19.600 9.849 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.640 -22.005 9.571 1.00 0.00 H new ATOM 259 N GLU A 18 -9.989 -18.767 4.886 1.00 0.00 N ATOM 260 CA GLU A 18 -11.439 -19.079 5.020 1.00 0.00 C ATOM 261 C GLU A 18 -11.634 -20.224 6.024 1.00 0.00 C ATOM 262 O GLU A 18 -11.240 -21.343 5.762 1.00 0.00 O ATOM 263 CB GLU A 18 -11.881 -19.513 3.622 1.00 0.00 C ATOM 264 CG GLU A 18 -11.529 -18.420 2.609 1.00 0.00 C ATOM 265 CD GLU A 18 -11.886 -18.899 1.202 1.00 0.00 C ATOM 266 OE1 GLU A 18 -12.804 -19.693 1.083 1.00 0.00 O ATOM 267 OE2 GLU A 18 -11.234 -18.466 0.267 1.00 0.00 O ATOM 0 H GLU A 18 -9.414 -19.528 4.524 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.017 -18.229 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.391 -20.448 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.955 -19.701 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.072 -17.504 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.466 -18.184 2.666 1.00 0.00 H new ATOM 274 N PRO A 19 -12.236 -19.914 7.148 1.00 0.00 N ATOM 275 CA PRO A 19 -12.472 -20.948 8.186 1.00 0.00 C ATOM 276 C PRO A 19 -13.527 -21.946 7.718 1.00 0.00 C ATOM 277 O PRO A 19 -13.260 -23.117 7.540 1.00 0.00 O ATOM 278 CB PRO A 19 -12.962 -20.147 9.388 1.00 0.00 C ATOM 279 CG PRO A 19 -13.513 -18.875 8.825 1.00 0.00 C ATOM 280 CD PRO A 19 -12.754 -18.596 7.553 1.00 0.00 C ATOM 0 HA PRO A 19 -11.584 -21.538 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.726 -20.695 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.148 -19.947 10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.580 -18.971 8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.394 -18.055 9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.402 -18.170 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.946 -17.884 7.719 1.00 0.00 H new ATOM 288 N GLU A 20 -14.720 -21.481 7.515 1.00 0.00 N ATOM 289 CA GLU A 20 -15.817 -22.381 7.049 1.00 0.00 C ATOM 290 C GLU A 20 -15.344 -23.246 5.872 1.00 0.00 C ATOM 291 O GLU A 20 -15.860 -24.318 5.631 1.00 0.00 O ATOM 292 CB GLU A 20 -16.932 -21.435 6.604 1.00 0.00 C ATOM 293 CG GLU A 20 -18.280 -22.152 6.695 1.00 0.00 C ATOM 294 CD GLU A 20 -18.533 -22.930 5.402 1.00 0.00 C ATOM 295 OE1 GLU A 20 -17.897 -22.615 4.409 1.00 0.00 O ATOM 296 OE2 GLU A 20 -19.358 -23.828 5.426 1.00 0.00 O ATOM 0 H GLU A 20 -14.992 -20.507 7.651 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.144 -23.069 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.939 -20.544 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.754 -21.102 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.286 -22.831 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.078 -21.428 6.859 1.00 0.00 H new ATOM 303 N LYS A 21 -14.367 -22.783 5.136 1.00 0.00 N ATOM 304 CA LYS A 21 -13.865 -23.575 3.976 1.00 0.00 C ATOM 305 C LYS A 21 -12.616 -24.369 4.364 1.00 0.00 C ATOM 306 O LYS A 21 -12.465 -25.520 4.005 1.00 0.00 O ATOM 307 CB LYS A 21 -13.525 -22.534 2.909 1.00 0.00 C ATOM 308 CG LYS A 21 -14.213 -22.905 1.595 1.00 0.00 C ATOM 309 CD LYS A 21 -13.317 -23.864 0.809 1.00 0.00 C ATOM 310 CE LYS A 21 -14.161 -25.018 0.262 1.00 0.00 C ATOM 311 NZ LYS A 21 -14.342 -24.705 -1.182 1.00 0.00 N ATOM 0 H LYS A 21 -13.896 -21.891 5.289 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.600 -24.300 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.849 -21.545 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.446 -22.485 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.177 -23.372 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.409 -22.008 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.830 -23.335 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.527 -24.250 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.658 -25.975 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.120 -25.085 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.912 -25.451 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.828 -23.791 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.412 -24.654 -1.645 1.00 0.00 H new ATOM 325 N GLY A 22 -11.722 -23.767 5.094 1.00 0.00 N ATOM 326 CA GLY A 22 -10.486 -24.491 5.505 1.00 0.00 C ATOM 327 C GLY A 22 -9.345 -24.153 4.543 1.00 0.00 C ATOM 328 O GLY A 22 -9.565 -23.825 3.393 1.00 0.00 O ATOM 0 H GLY A 22 -11.792 -22.805 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.211 -24.212 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.666 -25.566 5.507 1.00 0.00 H new ATOM 332 N ASP A 23 -8.127 -24.235 5.005 1.00 0.00 N ATOM 333 CA ASP A 23 -6.965 -23.926 4.125 1.00 0.00 C ATOM 334 C ASP A 23 -6.574 -25.166 3.322 1.00 0.00 C ATOM 335 O ASP A 23 -5.471 -25.666 3.431 1.00 0.00 O ATOM 336 CB ASP A 23 -5.841 -23.523 5.077 1.00 0.00 C ATOM 337 CG ASP A 23 -5.099 -22.314 4.508 1.00 0.00 C ATOM 338 OD1 ASP A 23 -4.579 -22.427 3.409 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.062 -21.297 5.179 1.00 0.00 O ATOM 0 H ASP A 23 -7.886 -24.504 5.959 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.186 -23.137 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.250 -23.283 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.151 -24.355 5.214 1.00 0.00 H new ATOM 344 N LYS A 24 -7.473 -25.669 2.522 1.00 0.00 N ATOM 345 CA LYS A 24 -7.167 -26.885 1.709 1.00 0.00 C ATOM 346 C LYS A 24 -5.804 -26.753 1.016 1.00 0.00 C ATOM 347 O LYS A 24 -5.157 -27.735 0.708 1.00 0.00 O ATOM 348 CB LYS A 24 -8.288 -26.955 0.672 1.00 0.00 C ATOM 349 CG LYS A 24 -9.099 -28.235 0.883 1.00 0.00 C ATOM 350 CD LYS A 24 -9.814 -28.607 -0.418 1.00 0.00 C ATOM 351 CE LYS A 24 -9.196 -29.881 -0.993 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.025 -30.202 -2.190 1.00 0.00 N ATOM 0 H LYS A 24 -8.411 -25.290 2.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.114 -27.783 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.935 -26.083 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.869 -26.939 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.442 -29.047 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.827 -28.090 1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.877 -28.758 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.730 -27.792 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.152 -29.726 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.219 -30.694 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.663 -31.066 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.012 -30.351 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.979 -29.413 -2.866 1.00 0.00 H new ATOM 366 N PHE A 25 -5.364 -25.550 0.770 1.00 0.00 N ATOM 367 CA PHE A 25 -4.044 -25.363 0.098 1.00 0.00 C ATOM 368 C PHE A 25 -2.906 -25.499 1.114 1.00 0.00 C ATOM 369 O PHE A 25 -1.773 -25.756 0.758 1.00 0.00 O ATOM 370 CB PHE A 25 -4.083 -23.944 -0.472 1.00 0.00 C ATOM 371 CG PHE A 25 -4.033 -24.004 -1.980 1.00 0.00 C ATOM 372 CD1 PHE A 25 -4.941 -24.809 -2.679 1.00 0.00 C ATOM 373 CD2 PHE A 25 -3.081 -23.254 -2.679 1.00 0.00 C ATOM 374 CE1 PHE A 25 -4.896 -24.863 -4.077 1.00 0.00 C ATOM 375 CE2 PHE A 25 -3.035 -23.308 -4.077 1.00 0.00 C ATOM 376 CZ PHE A 25 -3.942 -24.113 -4.777 1.00 0.00 C ATOM 0 H PHE A 25 -5.859 -24.689 1.004 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.870 -26.109 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.991 -23.436 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.241 -23.365 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.676 -25.388 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.381 -22.633 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.597 -25.483 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.300 -22.729 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.906 -24.156 -5.856 1.00 0.00 H new ATOM 386 N ALA A 26 -3.194 -25.327 2.375 1.00 0.00 N ATOM 387 CA ALA A 26 -2.123 -25.445 3.406 1.00 0.00 C ATOM 388 C ALA A 26 -2.249 -26.774 4.152 1.00 0.00 C ATOM 389 O ALA A 26 -1.274 -27.333 4.614 1.00 0.00 O ATOM 390 CB ALA A 26 -2.354 -24.272 4.357 1.00 0.00 C ATOM 0 H ALA A 26 -4.123 -25.110 2.736 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.126 -25.422 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.603 -24.290 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.278 -23.335 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.347 -24.352 4.799 1.00 0.00 H new ATOM 396 N GLY A 27 -3.442 -27.284 4.273 1.00 0.00 N ATOM 397 CA GLY A 27 -3.624 -28.580 4.988 1.00 0.00 C ATOM 398 C GLY A 27 -4.637 -28.411 6.123 1.00 0.00 C ATOM 399 O GLY A 27 -4.527 -29.035 7.159 1.00 0.00 O ATOM 0 H GLY A 27 -4.297 -26.863 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.969 -29.344 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.670 -28.922 5.389 1.00 0.00 H new ATOM 403 N ILE A 28 -5.625 -27.577 5.938 1.00 0.00 N ATOM 404 CA ILE A 28 -6.640 -27.383 7.010 1.00 0.00 C ATOM 405 C ILE A 28 -8.052 -27.551 6.424 1.00 0.00 C ATOM 406 O ILE A 28 -8.396 -26.898 5.457 1.00 0.00 O ATOM 407 CB ILE A 28 -6.412 -25.953 7.511 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.092 -25.892 8.283 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.558 -25.533 8.436 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.285 -24.676 7.826 1.00 0.00 C ATOM 0 H ILE A 28 -5.772 -27.024 5.094 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.548 -28.108 7.819 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.374 -25.277 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.288 -25.829 9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.519 -26.804 8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.388 -24.515 8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.500 -25.575 7.890 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.603 -26.209 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.346 -24.635 8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.077 -24.758 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.857 -23.768 8.015 1.00 0.00 H new ATOM 422 N PRO A 29 -8.827 -28.428 7.018 1.00 0.00 N ATOM 423 CA PRO A 29 -10.207 -28.674 6.525 1.00 0.00 C ATOM 424 C PRO A 29 -11.129 -27.504 6.896 1.00 0.00 C ATOM 425 O PRO A 29 -10.732 -26.612 7.618 1.00 0.00 O ATOM 426 CB PRO A 29 -10.629 -29.945 7.256 1.00 0.00 C ATOM 427 CG PRO A 29 -9.794 -29.979 8.497 1.00 0.00 C ATOM 428 CD PRO A 29 -8.504 -29.262 8.187 1.00 0.00 C ATOM 0 HA PRO A 29 -10.260 -28.772 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.692 -29.926 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.457 -30.828 6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.314 -29.495 9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.599 -31.007 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.173 -28.655 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.701 -29.965 7.965 1.00 0.00 H new ATOM 436 N PRO A 30 -12.339 -27.550 6.392 1.00 0.00 N ATOM 437 CA PRO A 30 -13.323 -26.479 6.686 1.00 0.00 C ATOM 438 C PRO A 30 -13.771 -26.570 8.143 1.00 0.00 C ATOM 439 O PRO A 30 -13.145 -27.219 8.958 1.00 0.00 O ATOM 440 CB PRO A 30 -14.483 -26.783 5.745 1.00 0.00 C ATOM 441 CG PRO A 30 -14.375 -28.246 5.473 1.00 0.00 C ATOM 442 CD PRO A 30 -12.907 -28.585 5.514 1.00 0.00 C ATOM 0 HA PRO A 30 -12.923 -25.475 6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.440 -26.535 6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.410 -26.203 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.926 -28.820 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.802 -28.492 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.737 -29.586 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.461 -28.557 4.520 1.00 0.00 H new ATOM 450 N GLY A 31 -14.853 -25.925 8.474 1.00 0.00 N ATOM 451 CA GLY A 31 -15.356 -25.966 9.881 1.00 0.00 C ATOM 452 C GLY A 31 -14.210 -25.667 10.856 1.00 0.00 C ATOM 453 O GLY A 31 -14.232 -26.081 11.998 1.00 0.00 O ATOM 0 H GLY A 31 -15.415 -25.368 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.155 -25.237 10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.781 -26.947 10.096 1.00 0.00 H new ATOM 457 N THR A 32 -13.210 -24.955 10.412 1.00 0.00 N ATOM 458 CA THR A 32 -12.065 -24.636 11.312 1.00 0.00 C ATOM 459 C THR A 32 -11.832 -23.118 11.347 1.00 0.00 C ATOM 460 O THR A 32 -11.493 -22.527 10.341 1.00 0.00 O ATOM 461 CB THR A 32 -10.865 -25.348 10.686 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.098 -26.749 10.681 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.605 -25.041 11.498 1.00 0.00 C ATOM 0 H THR A 32 -13.136 -24.581 9.466 1.00 0.00 H new ATOM 0 HA THR A 32 -12.240 -24.956 12.339 1.00 0.00 H new ATOM 0 HB THR A 32 -10.728 -24.998 9.663 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.802 -26.961 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.751 -25.549 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.427 -23.966 11.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.738 -25.389 12.522 1.00 0.00 H new ATOM 471 N PRO A 33 -12.023 -22.527 12.504 1.00 0.00 N ATOM 472 CA PRO A 33 -11.828 -21.063 12.642 1.00 0.00 C ATOM 473 C PRO A 33 -10.340 -20.704 12.601 1.00 0.00 C ATOM 474 O PRO A 33 -9.490 -21.473 13.005 1.00 0.00 O ATOM 475 CB PRO A 33 -12.427 -20.745 14.010 1.00 0.00 C ATOM 476 CG PRO A 33 -12.342 -22.027 14.776 1.00 0.00 C ATOM 477 CD PRO A 33 -12.431 -23.148 13.774 1.00 0.00 C ATOM 0 HA PRO A 33 -12.294 -20.497 11.835 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.873 -19.950 14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.459 -20.406 13.920 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.407 -22.082 15.333 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.151 -22.095 15.504 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.774 -23.976 14.042 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.442 -23.550 13.714 1.00 0.00 H new ATOM 485 N PHE A 34 -10.024 -19.536 12.113 1.00 0.00 N ATOM 486 CA PHE A 34 -8.598 -19.108 12.037 1.00 0.00 C ATOM 487 C PHE A 34 -7.939 -19.201 13.419 1.00 0.00 C ATOM 488 O PHE A 34 -6.740 -19.356 13.535 1.00 0.00 O ATOM 489 CB PHE A 34 -8.662 -17.654 11.550 1.00 0.00 C ATOM 490 CG PHE A 34 -7.305 -16.998 11.667 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.354 -17.165 10.655 1.00 0.00 C ATOM 492 CD2 PHE A 34 -7.003 -16.218 12.790 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.099 -16.554 10.765 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.750 -15.606 12.900 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.797 -15.774 11.888 1.00 0.00 C ATOM 0 H PHE A 34 -10.697 -18.855 11.761 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.003 -19.735 11.373 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.998 -17.626 10.514 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.393 -17.099 12.138 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.588 -17.766 9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.737 -16.089 13.571 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.364 -16.684 9.984 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.518 -15.004 13.766 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.829 -15.302 11.974 1.00 0.00 H new ATOM 505 N VAL A 35 -8.711 -19.104 14.467 1.00 0.00 N ATOM 506 CA VAL A 35 -8.123 -19.183 15.835 1.00 0.00 C ATOM 507 C VAL A 35 -7.642 -20.607 16.125 1.00 0.00 C ATOM 508 O VAL A 35 -6.775 -20.825 16.949 1.00 0.00 O ATOM 509 CB VAL A 35 -9.264 -18.799 16.776 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.777 -17.405 16.412 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.401 -19.815 16.641 1.00 0.00 C ATOM 0 H VAL A 35 -9.722 -18.974 14.435 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.259 -18.529 15.952 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.902 -18.795 17.804 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.591 -17.130 17.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.967 -16.682 16.509 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.139 -17.408 15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.215 -19.541 17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.764 -19.820 15.613 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.034 -20.808 16.901 1.00 0.00 H new ATOM 521 N ASP A 36 -8.200 -21.579 15.459 1.00 0.00 N ATOM 522 CA ASP A 36 -7.777 -22.988 15.698 1.00 0.00 C ATOM 523 C ASP A 36 -6.583 -23.356 14.807 1.00 0.00 C ATOM 524 O ASP A 36 -6.017 -24.424 14.929 1.00 0.00 O ATOM 525 CB ASP A 36 -8.997 -23.833 15.332 1.00 0.00 C ATOM 526 CG ASP A 36 -9.001 -25.114 16.170 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.193 -25.984 15.889 1.00 0.00 O ATOM 528 OD2 ASP A 36 -9.812 -25.201 17.078 1.00 0.00 O ATOM 0 H ASP A 36 -8.932 -21.459 14.759 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.458 -23.148 16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.911 -23.267 15.510 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.976 -24.080 14.271 1.00 0.00 H new ATOM 533 N LEU A 37 -6.193 -22.484 13.913 1.00 0.00 N ATOM 534 CA LEU A 37 -5.035 -22.798 13.025 1.00 0.00 C ATOM 535 C LEU A 37 -3.827 -23.231 13.861 1.00 0.00 C ATOM 536 O LEU A 37 -3.751 -22.961 15.042 1.00 0.00 O ATOM 537 CB LEU A 37 -4.729 -21.490 12.290 1.00 0.00 C ATOM 538 CG LEU A 37 -5.695 -21.315 11.116 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.364 -20.015 10.379 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.556 -22.497 10.155 1.00 0.00 C ATOM 0 H LEU A 37 -6.624 -21.572 13.760 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.257 -23.613 12.336 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.820 -20.647 12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.701 -21.498 11.928 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.718 -21.274 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.050 -19.887 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.465 -19.173 11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.341 -20.059 10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.245 -22.370 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.534 -22.542 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.790 -23.423 10.681 1.00 0.00 H new ATOM 552 N SER A 38 -2.883 -23.899 13.257 1.00 0.00 N ATOM 553 CA SER A 38 -1.682 -24.342 14.022 1.00 0.00 C ATOM 554 C SER A 38 -0.984 -23.132 14.646 1.00 0.00 C ATOM 555 O SER A 38 -1.042 -22.035 14.127 1.00 0.00 O ATOM 556 CB SER A 38 -0.776 -25.013 12.988 1.00 0.00 C ATOM 557 OG SER A 38 -0.277 -26.231 13.518 1.00 0.00 O ATOM 0 H SER A 38 -2.890 -24.157 12.270 1.00 0.00 H new ATOM 0 HA SER A 38 -1.936 -25.020 14.837 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.332 -25.204 12.070 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.050 -24.351 12.728 1.00 0.00 H new ATOM 0 HG SER A 38 0.302 -26.663 12.856 1.00 0.00 H new ATOM 563 N ASP A 39 -0.328 -23.321 15.757 1.00 0.00 N ATOM 564 CA ASP A 39 0.368 -22.178 16.414 1.00 0.00 C ATOM 565 C ASP A 39 1.352 -21.524 15.440 1.00 0.00 C ATOM 566 O ASP A 39 1.680 -20.361 15.564 1.00 0.00 O ATOM 567 CB ASP A 39 1.117 -22.795 17.596 1.00 0.00 C ATOM 568 CG ASP A 39 1.640 -21.682 18.505 1.00 0.00 C ATOM 569 OD1 ASP A 39 0.825 -20.946 19.037 1.00 0.00 O ATOM 570 OD2 ASP A 39 2.847 -21.583 18.654 1.00 0.00 O ATOM 0 H ASP A 39 -0.243 -24.216 16.238 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.328 -21.401 16.732 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.454 -23.455 18.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.946 -23.405 17.237 1.00 0.00 H new ATOM 575 N SER A 40 1.828 -22.260 14.472 1.00 0.00 N ATOM 576 CA SER A 40 2.793 -21.674 13.498 1.00 0.00 C ATOM 577 C SER A 40 2.249 -21.773 12.071 1.00 0.00 C ATOM 578 O SER A 40 2.982 -22.021 11.134 1.00 0.00 O ATOM 579 CB SER A 40 4.063 -22.512 13.645 1.00 0.00 C ATOM 580 OG SER A 40 5.074 -21.733 14.264 1.00 0.00 O ATOM 0 H SER A 40 1.591 -23.239 14.314 1.00 0.00 H new ATOM 0 HA SER A 40 2.974 -20.616 13.690 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.858 -23.401 14.241 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.401 -22.855 12.667 1.00 0.00 H new ATOM 0 HG SER A 40 5.888 -22.270 14.360 1.00 0.00 H new ATOM 586 N PHE A 41 0.971 -21.575 11.892 1.00 0.00 N ATOM 587 CA PHE A 41 0.393 -21.653 10.519 1.00 0.00 C ATOM 588 C PHE A 41 1.069 -20.617 9.611 1.00 0.00 C ATOM 589 O PHE A 41 1.220 -19.466 9.972 1.00 0.00 O ATOM 590 CB PHE A 41 -1.103 -21.343 10.699 1.00 0.00 C ATOM 591 CG PHE A 41 -1.739 -21.015 9.362 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.173 -22.043 8.516 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.890 -19.678 8.972 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.757 -21.735 7.282 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.474 -19.370 7.738 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.908 -20.398 6.893 1.00 0.00 C ATOM 0 H PHE A 41 0.304 -21.363 12.634 1.00 0.00 H new ATOM 0 HA PHE A 41 0.544 -22.626 10.052 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.607 -22.199 11.148 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.227 -20.504 11.384 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.057 -23.074 8.816 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.556 -18.885 9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.091 -22.528 6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.590 -18.339 7.438 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.359 -20.160 5.941 1.00 0.00 H new ATOM 606 N MET A 42 1.462 -21.016 8.434 1.00 0.00 N ATOM 607 CA MET A 42 2.114 -20.051 7.501 1.00 0.00 C ATOM 608 C MET A 42 1.173 -19.756 6.332 1.00 0.00 C ATOM 609 O MET A 42 0.307 -20.543 6.005 1.00 0.00 O ATOM 610 CB MET A 42 3.385 -20.746 7.001 1.00 0.00 C ATOM 611 CG MET A 42 4.188 -21.283 8.190 1.00 0.00 C ATOM 612 SD MET A 42 5.947 -21.315 7.764 1.00 0.00 S ATOM 613 CE MET A 42 6.341 -19.632 8.297 1.00 0.00 C ATOM 0 H MET A 42 1.361 -21.966 8.077 1.00 0.00 H new ATOM 0 HA MET A 42 2.347 -19.104 7.987 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.123 -21.563 6.329 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.992 -20.045 6.428 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.026 -20.654 9.066 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.847 -22.285 8.450 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.234 -19.285 7.777 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.506 -18.972 8.064 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.521 -19.624 9.372 1.00 0.00 H new ATOM 623 N CYS A 43 1.332 -18.628 5.700 1.00 0.00 N ATOM 624 CA CYS A 43 0.443 -18.286 4.554 1.00 0.00 C ATOM 625 C CYS A 43 0.784 -19.160 3.339 1.00 0.00 C ATOM 626 O CYS A 43 1.937 -19.281 2.977 1.00 0.00 O ATOM 627 CB CYS A 43 0.745 -16.821 4.252 1.00 0.00 C ATOM 628 SG CYS A 43 -0.464 -16.177 3.071 1.00 0.00 S ATOM 0 H CYS A 43 2.038 -17.928 5.926 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.610 -18.453 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.715 -16.237 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.752 -16.724 3.845 1.00 0.00 H new ATOM 633 N PRO A 44 -0.229 -19.734 2.737 1.00 0.00 N ATOM 634 CA PRO A 44 -0.005 -20.588 1.548 1.00 0.00 C ATOM 635 C PRO A 44 0.293 -19.724 0.313 1.00 0.00 C ATOM 636 O PRO A 44 0.546 -20.232 -0.761 1.00 0.00 O ATOM 637 CB PRO A 44 -1.325 -21.330 1.382 1.00 0.00 C ATOM 638 CG PRO A 44 -2.353 -20.456 2.031 1.00 0.00 C ATOM 639 CD PRO A 44 -1.652 -19.651 3.098 1.00 0.00 C ATOM 0 HA PRO A 44 0.845 -21.261 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.555 -21.493 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.287 -22.311 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.817 -19.798 1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.150 -21.059 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.000 -18.618 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.835 -20.061 4.091 1.00 0.00 H new ATOM 647 N ALA A 45 0.266 -18.423 0.455 1.00 0.00 N ATOM 648 CA ALA A 45 0.545 -17.540 -0.711 1.00 0.00 C ATOM 649 C ALA A 45 1.858 -16.780 -0.503 1.00 0.00 C ATOM 650 O ALA A 45 2.571 -16.491 -1.444 1.00 0.00 O ATOM 651 CB ALA A 45 -0.634 -16.569 -0.766 1.00 0.00 C ATOM 0 H ALA A 45 0.063 -17.937 1.328 1.00 0.00 H new ATOM 0 HA ALA A 45 0.651 -18.105 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.501 -15.883 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.560 -17.128 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.682 -16.002 0.164 1.00 0.00 H new ATOM 657 N CYS A 46 2.187 -16.452 0.718 1.00 0.00 N ATOM 658 CA CYS A 46 3.459 -15.711 0.959 1.00 0.00 C ATOM 659 C CYS A 46 4.253 -16.331 2.132 1.00 0.00 C ATOM 660 O CYS A 46 5.266 -15.809 2.551 1.00 0.00 O ATOM 661 CB CYS A 46 3.025 -14.248 1.209 1.00 0.00 C ATOM 662 SG CYS A 46 2.641 -13.930 2.954 1.00 0.00 S ATOM 0 H CYS A 46 1.637 -16.662 1.551 1.00 0.00 H new ATOM 0 HA CYS A 46 4.148 -15.765 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.820 -13.576 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.150 -14.022 0.600 1.00 0.00 H new ATOM 667 N ARG A 47 3.815 -17.464 2.632 1.00 0.00 N ATOM 668 CA ARG A 47 4.553 -18.157 3.742 1.00 0.00 C ATOM 669 C ARG A 47 4.698 -17.286 5.000 1.00 0.00 C ATOM 670 O ARG A 47 5.463 -17.606 5.888 1.00 0.00 O ATOM 671 CB ARG A 47 5.933 -18.466 3.158 1.00 0.00 C ATOM 672 CG ARG A 47 6.471 -19.758 3.774 1.00 0.00 C ATOM 673 CD ARG A 47 7.995 -19.677 3.877 1.00 0.00 C ATOM 674 NE ARG A 47 8.490 -20.918 3.219 1.00 0.00 N ATOM 675 CZ ARG A 47 9.671 -21.385 3.516 1.00 0.00 C ATOM 676 NH1 ARG A 47 9.783 -22.458 4.250 1.00 0.00 N ATOM 677 NH2 ARG A 47 10.742 -20.778 3.083 1.00 0.00 N ATOM 0 H ARG A 47 2.971 -17.943 2.317 1.00 0.00 H new ATOM 0 HA ARG A 47 4.010 -19.045 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.867 -18.567 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.618 -17.642 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.037 -19.911 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.182 -20.613 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.378 -18.786 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.319 -19.625 4.917 1.00 0.00 H new ATOM 0 HE ARG A 47 7.906 -21.402 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.947 -22.932 4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.707 -22.823 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.656 -19.937 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.665 -21.144 3.316 1.00 0.00 H new ATOM 691 N SER A 48 3.976 -16.204 5.103 1.00 0.00 N ATOM 692 CA SER A 48 4.099 -15.356 6.328 1.00 0.00 C ATOM 693 C SER A 48 3.529 -16.100 7.542 1.00 0.00 C ATOM 694 O SER A 48 2.801 -17.061 7.389 1.00 0.00 O ATOM 695 CB SER A 48 3.277 -14.099 6.046 1.00 0.00 C ATOM 696 OG SER A 48 4.055 -13.182 5.294 1.00 0.00 O ATOM 0 H SER A 48 3.313 -15.871 4.403 1.00 0.00 H new ATOM 0 HA SER A 48 5.138 -15.115 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.372 -14.359 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.961 -13.641 6.983 1.00 0.00 H new ATOM 0 HG SER A 48 3.668 -13.081 4.400 1.00 0.00 H new ATOM 702 N PRO A 49 3.877 -15.631 8.715 1.00 0.00 N ATOM 703 CA PRO A 49 3.386 -16.268 9.963 1.00 0.00 C ATOM 704 C PRO A 49 1.900 -15.958 10.173 1.00 0.00 C ATOM 705 O PRO A 49 1.431 -14.880 9.872 1.00 0.00 O ATOM 706 CB PRO A 49 4.237 -15.625 11.053 1.00 0.00 C ATOM 707 CG PRO A 49 4.668 -14.309 10.486 1.00 0.00 C ATOM 708 CD PRO A 49 4.749 -14.479 8.991 1.00 0.00 C ATOM 0 HA PRO A 49 3.470 -17.355 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.665 -15.490 11.971 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.096 -16.248 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.957 -13.525 10.747 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.634 -14.011 10.893 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.407 -13.586 8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.772 -14.666 8.666 1.00 0.00 H new ATOM 716 N LYS A 50 1.153 -16.897 10.690 1.00 0.00 N ATOM 717 CA LYS A 50 -0.303 -16.660 10.922 1.00 0.00 C ATOM 718 C LYS A 50 -0.523 -15.346 11.672 1.00 0.00 C ATOM 719 O LYS A 50 -1.558 -14.720 11.549 1.00 0.00 O ATOM 720 CB LYS A 50 -0.755 -17.850 11.770 1.00 0.00 C ATOM 721 CG LYS A 50 -2.262 -17.772 12.014 1.00 0.00 C ATOM 722 CD LYS A 50 -2.632 -18.694 13.179 1.00 0.00 C ATOM 723 CE LYS A 50 -3.545 -17.950 14.156 1.00 0.00 C ATOM 724 NZ LYS A 50 -2.649 -16.996 14.868 1.00 0.00 N ATOM 0 H LYS A 50 1.489 -17.821 10.963 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.864 -16.579 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.507 -18.783 11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.223 -17.853 12.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.553 -16.746 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.804 -18.067 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.134 -19.586 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.730 -19.028 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.342 -17.425 13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.022 -18.639 14.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.666 -17.199 15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.678 -17.100 14.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.977 -16.023 14.703 1.00 0.00 H new ATOM 738 N ASN A 51 0.439 -14.913 12.436 1.00 0.00 N ATOM 739 CA ASN A 51 0.267 -13.632 13.172 1.00 0.00 C ATOM 740 C ASN A 51 0.202 -12.464 12.183 1.00 0.00 C ATOM 741 O ASN A 51 -0.163 -11.362 12.538 1.00 0.00 O ATOM 742 CB ASN A 51 1.497 -13.515 14.073 1.00 0.00 C ATOM 743 CG ASN A 51 1.062 -13.582 15.538 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.005 -13.101 15.893 1.00 0.00 O ATOM 745 ND2 ASN A 51 1.839 -14.162 16.411 1.00 0.00 N ATOM 0 H ASN A 51 1.330 -15.387 12.582 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.656 -13.609 13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.200 -14.319 13.854 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.016 -12.576 13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.558 -14.211 17.390 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.727 -14.566 16.114 1.00 0.00 H new ATOM 752 N GLN A 52 0.538 -12.698 10.942 1.00 0.00 N ATOM 753 CA GLN A 52 0.475 -11.600 9.940 1.00 0.00 C ATOM 754 C GLN A 52 -0.936 -11.504 9.349 1.00 0.00 C ATOM 755 O GLN A 52 -1.231 -10.617 8.569 1.00 0.00 O ATOM 756 CB GLN A 52 1.486 -11.987 8.859 1.00 0.00 C ATOM 757 CG GLN A 52 2.545 -10.890 8.733 1.00 0.00 C ATOM 758 CD GLN A 52 1.870 -9.566 8.376 1.00 0.00 C ATOM 759 OE1 GLN A 52 0.907 -9.556 7.495 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.222 -8.529 8.904 1.00 0.00 N flip ATOM 0 H GLN A 52 0.852 -13.599 10.582 1.00 0.00 H new ATOM 0 HA GLN A 52 0.703 -10.628 10.378 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.959 -12.936 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.978 -12.128 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.093 -10.790 9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.272 -11.158 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.975 -8.537 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.765 -7.651 8.659 1.00 0.00 H new ATOM 769 N PHE A 53 -1.818 -12.406 9.710 1.00 0.00 N ATOM 770 CA PHE A 53 -3.200 -12.342 9.155 1.00 0.00 C ATOM 771 C PHE A 53 -4.060 -11.374 9.972 1.00 0.00 C ATOM 772 O PHE A 53 -3.929 -11.274 11.176 1.00 0.00 O ATOM 773 CB PHE A 53 -3.751 -13.761 9.272 1.00 0.00 C ATOM 774 CG PHE A 53 -3.149 -14.625 8.190 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.838 -15.095 8.316 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.905 -14.955 7.059 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.281 -15.896 7.312 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.349 -15.755 6.055 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.037 -16.226 6.180 1.00 0.00 C ATOM 0 H PHE A 53 -1.640 -13.174 10.358 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.205 -11.985 8.125 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.518 -14.173 10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.837 -13.750 9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.255 -14.840 9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.917 -14.592 6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.269 -16.259 7.410 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.933 -16.009 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.608 -16.843 5.404 1.00 0.00 H new ATOM 789 N LYS A 54 -4.945 -10.669 9.325 1.00 0.00 N ATOM 790 CA LYS A 54 -5.825 -9.717 10.057 1.00 0.00 C ATOM 791 C LYS A 54 -7.289 -10.044 9.762 1.00 0.00 C ATOM 792 O LYS A 54 -7.726 -10.006 8.629 1.00 0.00 O ATOM 793 CB LYS A 54 -5.464 -8.336 9.509 1.00 0.00 C ATOM 794 CG LYS A 54 -6.166 -7.258 10.337 1.00 0.00 C ATOM 795 CD LYS A 54 -6.436 -6.034 9.458 1.00 0.00 C ATOM 796 CE LYS A 54 -5.214 -5.113 9.476 1.00 0.00 C ATOM 797 NZ LYS A 54 -5.657 -3.906 10.227 1.00 0.00 N ATOM 0 H LYS A 54 -5.097 -10.711 8.317 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.690 -9.769 11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.384 -8.190 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.763 -8.259 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.103 -7.645 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.546 -6.978 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.654 -6.347 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.313 -5.499 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.365 -5.592 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.898 -4.856 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.873 -3.225 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.462 -3.468 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.946 -4.181 11.187 1.00 0.00 H new ATOM 811 N SER A 55 -8.053 -10.375 10.768 1.00 0.00 N ATOM 812 CA SER A 55 -9.486 -10.713 10.532 1.00 0.00 C ATOM 813 C SER A 55 -10.166 -9.622 9.707 1.00 0.00 C ATOM 814 O SER A 55 -9.573 -8.617 9.366 1.00 0.00 O ATOM 815 CB SER A 55 -10.123 -10.791 11.916 1.00 0.00 C ATOM 816 OG SER A 55 -11.527 -10.623 11.800 1.00 0.00 O ATOM 0 H SER A 55 -7.748 -10.426 11.740 1.00 0.00 H new ATOM 0 HA SER A 55 -9.589 -11.647 9.980 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.898 -11.752 12.378 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.706 -10.020 12.564 1.00 0.00 H new ATOM 0 HG SER A 55 -11.937 -10.675 12.689 1.00 0.00 H new ATOM 822 N ILE A 56 -11.409 -9.819 9.392 1.00 0.00 N ATOM 823 CA ILE A 56 -12.153 -8.802 8.593 1.00 0.00 C ATOM 824 C ILE A 56 -13.595 -8.693 9.096 1.00 0.00 C ATOM 825 O ILE A 56 -14.539 -8.887 8.355 1.00 0.00 O ATOM 826 CB ILE A 56 -12.118 -9.320 7.154 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.761 -10.707 7.094 1.00 0.00 C ATOM 828 CG2 ILE A 56 -10.667 -9.409 6.680 1.00 0.00 C ATOM 829 CD1 ILE A 56 -13.830 -10.726 5.998 1.00 0.00 C ATOM 0 H ILE A 56 -11.950 -10.644 9.653 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.713 -7.808 8.673 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.670 -8.637 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.003 -11.463 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.208 -10.955 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.641 -9.778 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.209 -8.421 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.115 -10.092 7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.289 -11.714 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.593 -9.981 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.370 -10.497 5.037 1.00 0.00 H new ATOM 841 N LYS A 57 -13.770 -8.380 10.351 1.00 0.00 N ATOM 842 CA LYS A 57 -15.148 -8.255 10.907 1.00 0.00 C ATOM 843 C LYS A 57 -15.608 -6.798 10.836 1.00 0.00 C ATOM 844 O LYS A 57 -15.872 -6.169 11.841 1.00 0.00 O ATOM 845 CB LYS A 57 -15.034 -8.707 12.363 1.00 0.00 C ATOM 846 CG LYS A 57 -16.434 -8.823 12.970 1.00 0.00 C ATOM 847 CD LYS A 57 -16.364 -8.556 14.475 1.00 0.00 C ATOM 848 CE LYS A 57 -17.371 -9.455 15.198 1.00 0.00 C ATOM 849 NZ LYS A 57 -17.656 -8.753 16.482 1.00 0.00 N ATOM 0 H LYS A 57 -13.017 -8.205 11.017 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.873 -8.851 10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.521 -9.667 12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.437 -7.994 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.108 -8.110 12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.840 -9.817 12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.357 -8.750 14.843 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.582 -7.508 14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.279 -9.586 14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.959 -10.449 15.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.340 -9.307 17.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.774 -8.649 17.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.053 -7.813 16.283 1.00 0.00 H new ATOM 863 N LYS A 58 -15.697 -6.256 9.655 1.00 0.00 N ATOM 864 CA LYS A 58 -16.131 -4.837 9.520 1.00 0.00 C ATOM 865 C LYS A 58 -17.546 -4.759 8.941 1.00 0.00 C ATOM 866 O LYS A 58 -17.788 -5.138 7.811 1.00 0.00 O ATOM 867 CB LYS A 58 -15.124 -4.210 8.557 1.00 0.00 C ATOM 868 CG LYS A 58 -14.413 -3.047 9.251 1.00 0.00 C ATOM 869 CD LYS A 58 -14.274 -1.878 8.275 1.00 0.00 C ATOM 870 CE LYS A 58 -12.792 -1.554 8.075 1.00 0.00 C ATOM 871 NZ LYS A 58 -12.782 -0.272 7.314 1.00 0.00 N ATOM 0 H LYS A 58 -15.489 -6.733 8.778 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.158 -4.323 10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.397 -4.956 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.633 -3.856 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.976 -2.735 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.429 -3.363 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.734 -2.131 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.800 -1.004 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.277 -1.451 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.285 -2.346 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.799 0.019 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.274 -0.403 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.266 0.464 7.867 1.00 0.00 H new ATOM 885 N VAL A 59 -18.481 -4.265 9.706 1.00 0.00 N ATOM 886 CA VAL A 59 -19.881 -4.155 9.202 1.00 0.00 C ATOM 887 C VAL A 59 -20.466 -2.790 9.574 1.00 0.00 C ATOM 888 O VAL A 59 -20.065 -2.176 10.542 1.00 0.00 O ATOM 889 CB VAL A 59 -20.657 -5.279 9.896 1.00 0.00 C ATOM 890 CG1 VAL A 59 -20.158 -6.635 9.393 1.00 0.00 C ATOM 891 CG2 VAL A 59 -20.451 -5.189 11.410 1.00 0.00 C ATOM 0 H VAL A 59 -18.336 -3.932 10.659 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.933 -4.243 8.117 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.718 -5.176 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.711 -7.433 9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.310 -6.702 8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.096 -6.738 9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -21.004 -5.990 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.390 -5.288 11.639 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -20.812 -4.225 11.770 1.00 0.00 H new ATOM 901 N ILE A 60 -21.411 -2.310 8.813 1.00 0.00 N ATOM 902 CA ILE A 60 -22.019 -0.985 9.126 1.00 0.00 C ATOM 903 C ILE A 60 -23.535 -1.129 9.297 1.00 0.00 C ATOM 904 O ILE A 60 -24.144 -2.038 8.769 1.00 0.00 O ATOM 905 CB ILE A 60 -21.692 -0.105 7.918 1.00 0.00 C ATOM 906 CG1 ILE A 60 -20.177 0.086 7.820 1.00 0.00 C ATOM 907 CG2 ILE A 60 -22.365 1.259 8.081 1.00 0.00 C ATOM 908 CD1 ILE A 60 -19.664 0.748 9.100 1.00 0.00 C ATOM 0 H ILE A 60 -21.788 -2.777 7.989 1.00 0.00 H new ATOM 0 HA ILE A 60 -21.635 -0.560 10.053 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.059 -0.586 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -19.687 -0.877 7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.932 0.703 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.131 1.885 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -23.445 1.126 8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.999 1.739 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -18.585 0.885 9.032 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.145 1.718 9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -19.896 0.114 9.956 1.00 0.00 H new ATOM 920 N ALA A 61 -24.149 -0.240 10.030 1.00 0.00 N ATOM 921 CA ALA A 61 -25.625 -0.330 10.231 1.00 0.00 C ATOM 922 C ALA A 61 -26.225 1.071 10.370 1.00 0.00 C ATOM 923 O ALA A 61 -26.465 1.548 11.460 1.00 0.00 O ATOM 924 CB ALA A 61 -25.804 -1.120 11.527 1.00 0.00 C ATOM 0 H ALA A 61 -23.694 0.544 10.498 1.00 0.00 H new ATOM 0 HA ALA A 61 -26.127 -0.810 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -26.867 -1.229 11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -25.354 -2.106 11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -25.319 -0.589 12.347 1.00 0.00 H new ATOM 930 N GLY A 62 -26.470 1.732 9.273 1.00 0.00 N ATOM 931 CA GLY A 62 -27.054 3.101 9.343 1.00 0.00 C ATOM 932 C GLY A 62 -28.232 3.203 8.372 1.00 0.00 C ATOM 933 O GLY A 62 -28.308 4.109 7.567 1.00 0.00 O ATOM 0 H GLY A 62 -26.291 1.384 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -27.387 3.315 10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.297 3.844 9.093 1.00 0.00 H new ATOM 937 N PHE A 63 -29.152 2.278 8.440 1.00 0.00 N ATOM 938 CA PHE A 63 -30.322 2.325 7.518 1.00 0.00 C ATOM 939 C PHE A 63 -31.424 3.213 8.103 1.00 0.00 C ATOM 940 O PHE A 63 -32.113 2.835 9.029 1.00 0.00 O ATOM 941 CB PHE A 63 -30.803 0.878 7.406 1.00 0.00 C ATOM 942 CG PHE A 63 -30.942 0.508 5.947 1.00 0.00 C ATOM 943 CD1 PHE A 63 -31.813 1.230 5.123 1.00 0.00 C ATOM 944 CD2 PHE A 63 -30.202 -0.556 5.420 1.00 0.00 C ATOM 945 CE1 PHE A 63 -31.943 0.888 3.772 1.00 0.00 C ATOM 946 CE2 PHE A 63 -30.332 -0.898 4.068 1.00 0.00 C ATOM 947 CZ PHE A 63 -31.202 -0.176 3.244 1.00 0.00 C ATOM 0 H PHE A 63 -29.143 1.494 9.093 1.00 0.00 H new ATOM 0 HA PHE A 63 -30.061 2.742 6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -30.096 0.209 7.897 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -31.759 0.760 7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -32.385 2.051 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -29.530 -1.114 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -32.615 1.445 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -29.760 -1.719 3.662 1.00 0.00 H new ATOM 0 HZ PHE A 63 -31.302 -0.439 2.201 1.00 0.00 H new ATOM 957 N ALA A 64 -31.596 4.389 7.564 1.00 0.00 N ATOM 958 CA ALA A 64 -32.654 5.302 8.084 1.00 0.00 C ATOM 959 C ALA A 64 -33.264 6.107 6.933 1.00 0.00 C ATOM 960 O ALA A 64 -33.046 5.814 5.774 1.00 0.00 O ATOM 961 CB ALA A 64 -31.937 6.228 9.066 1.00 0.00 C ATOM 0 H ALA A 64 -31.049 4.757 6.786 1.00 0.00 H new ATOM 0 HA ALA A 64 -33.469 4.759 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -32.653 6.931 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -31.491 5.636 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -31.155 6.778 8.543 1.00 0.00 H new ATOM 967 N GLU A 65 -34.027 7.119 7.242 1.00 0.00 N ATOM 968 CA GLU A 65 -34.651 7.940 6.164 1.00 0.00 C ATOM 969 C GLU A 65 -34.448 9.432 6.448 1.00 0.00 C ATOM 970 O GLU A 65 -33.618 9.814 7.249 1.00 0.00 O ATOM 971 CB GLU A 65 -36.136 7.584 6.206 1.00 0.00 C ATOM 972 CG GLU A 65 -36.693 7.885 7.599 1.00 0.00 C ATOM 973 CD GLU A 65 -38.214 8.028 7.521 1.00 0.00 C ATOM 974 OE1 GLU A 65 -38.828 7.241 6.819 1.00 0.00 O ATOM 975 OE2 GLU A 65 -38.740 8.923 8.164 1.00 0.00 O ATOM 0 H GLU A 65 -34.246 7.414 8.194 1.00 0.00 H new ATOM 0 HA GLU A 65 -34.211 7.741 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -36.679 8.156 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -36.275 6.530 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -36.427 7.084 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -36.251 8.802 7.989 1.00 0.00 H new ATOM 982 N ASN A 66 -35.198 10.275 5.796 1.00 0.00 N ATOM 983 CA ASN A 66 -35.049 11.741 6.026 1.00 0.00 C ATOM 984 C ASN A 66 -36.401 12.359 6.390 1.00 0.00 C ATOM 985 O ASN A 66 -37.411 12.065 5.782 1.00 0.00 O ATOM 986 CB ASN A 66 -34.549 12.299 4.694 1.00 0.00 C ATOM 987 CG ASN A 66 -33.590 13.463 4.952 1.00 0.00 C ATOM 988 OD1 ASN A 66 -32.672 13.348 5.738 1.00 0.00 O ATOM 989 ND2 ASN A 66 -33.766 14.589 4.315 1.00 0.00 N ATOM 0 H ASN A 66 -35.909 10.013 5.113 1.00 0.00 H new ATOM 0 HA ASN A 66 -34.366 11.964 6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -34.043 11.517 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -35.392 12.636 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -33.132 15.372 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -34.537 14.686 3.654 1.00 0.00 H new ATOM 996 N GLN A 67 -36.430 13.216 7.374 1.00 0.00 N ATOM 997 CA GLN A 67 -37.721 13.849 7.767 1.00 0.00 C ATOM 998 C GLN A 67 -37.937 15.137 6.969 1.00 0.00 C ATOM 999 O GLN A 67 -37.008 15.710 6.435 1.00 0.00 O ATOM 1000 CB GLN A 67 -37.581 14.152 9.260 1.00 0.00 C ATOM 1001 CG GLN A 67 -36.398 15.096 9.489 1.00 0.00 C ATOM 1002 CD GLN A 67 -36.713 16.028 10.660 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -37.337 17.056 10.482 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -36.306 15.712 11.858 1.00 0.00 N ATOM 0 H GLN A 67 -35.619 13.504 7.921 1.00 0.00 H new ATOM 0 HA GLN A 67 -38.577 13.204 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -38.498 14.606 9.636 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -37.432 13.226 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -35.496 14.522 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -36.203 15.678 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -35.782 14.850 12.008 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -36.511 16.327 12.645 1.00 0.00 H new ATOM 1013 N LYS A 68 -39.155 15.596 6.878 1.00 0.00 N ATOM 1014 CA LYS A 68 -39.424 16.845 6.109 1.00 0.00 C ATOM 1015 C LYS A 68 -38.836 16.730 4.698 1.00 0.00 C ATOM 1016 O LYS A 68 -38.403 15.673 4.281 1.00 0.00 O ATOM 1017 CB LYS A 68 -38.724 17.953 6.897 1.00 0.00 C ATOM 1018 CG LYS A 68 -39.698 18.543 7.920 1.00 0.00 C ATOM 1019 CD LYS A 68 -39.292 19.984 8.241 1.00 0.00 C ATOM 1020 CE LYS A 68 -39.839 20.372 9.616 1.00 0.00 C ATOM 1021 NZ LYS A 68 -41.306 20.538 9.411 1.00 0.00 N ATOM 0 H LYS A 68 -39.975 15.161 7.302 1.00 0.00 H new ATOM 0 HA LYS A 68 -40.490 17.041 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -37.845 17.554 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -38.375 18.732 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -40.714 18.520 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -39.695 17.942 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -38.206 20.079 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -39.679 20.661 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -39.628 19.601 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -39.383 21.294 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -41.602 21.470 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -41.525 20.465 8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -41.815 19.794 9.929 1.00 0.00 H new ATOM 1035 N TYR A 69 -38.815 17.807 3.962 1.00 0.00 N ATOM 1036 CA TYR A 69 -38.253 17.754 2.582 1.00 0.00 C ATOM 1037 C TYR A 69 -37.404 18.999 2.309 1.00 0.00 C ATOM 1038 O TYR A 69 -37.687 20.075 2.797 1.00 0.00 O ATOM 1039 CB TYR A 69 -39.472 17.724 1.660 1.00 0.00 C ATOM 1040 CG TYR A 69 -39.245 16.720 0.553 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -38.601 17.114 -0.626 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -39.680 15.398 0.706 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -38.391 16.185 -1.652 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -39.470 14.469 -0.320 1.00 0.00 C ATOM 1045 CZ TYR A 69 -38.825 14.862 -1.500 1.00 0.00 C ATOM 1046 OH TYR A 69 -38.619 13.947 -2.511 1.00 0.00 O ATOM 0 H TYR A 69 -39.162 18.720 4.255 1.00 0.00 H new ATOM 0 HA TYR A 69 -37.606 16.889 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -40.364 17.459 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -39.646 18.714 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -38.266 18.134 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -40.177 15.095 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -37.894 16.489 -2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -39.805 13.449 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 69 -38.980 13.076 -2.243 1.00 0.00 H new ATOM 1056 N GLY A 70 -36.366 18.860 1.530 1.00 0.00 N ATOM 1057 CA GLY A 70 -35.502 20.035 1.226 1.00 0.00 C ATOM 1058 C GLY A 70 -34.295 20.041 2.168 1.00 0.00 C ATOM 1059 O GLY A 70 -34.283 19.240 3.088 1.00 0.00 O ATOM 1060 OXT GLY A 70 -33.405 20.846 1.952 1.00 0.00 O ATOM 0 H GLY A 70 -36.080 17.985 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -35.167 19.995 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -36.071 20.957 1.342 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.290 -13.959 2.918 1.00 0.00 ZN