USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 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 Set 1.1: A 26 TYR OH : rot -177:sc= 1.64 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -121:sc= 0.51 (180deg=0.56) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 176:sc= -0.143 (180deg=-0.212) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.183 K(o=-0.33,f=-11!) USER MOD Set 3.1: A 12 TYR OH : rot -152:sc= 1.25 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 1.04 USER MOD Set 4.1: A 1 LYS N :NH3+ 174:sc= 1.66 (180deg=0.661) USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0.834 USER MOD Set 4.3: A 47 HIS : no HE2:sc= 0.274 K(o=2.8,f=-1.8!) USER MOD Single : A 1 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0737) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.258 USER MOD Single : A 4 MET CE :methyl -172:sc= 0 (180deg=-0.0771) USER MOD Single : A 5 GLN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 9 ASN : amide:sc= 1.8 K(o=1.8,f=-0.49) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.0874) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0.427 (180deg=0.405) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 1.7 (180deg=1.43) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 0.994 (180deg=0.66) USER MOD Single : A 48 GLN : amide:sc= 0.928 K(o=0.93,f=-0.12) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 75:sc= 0.972 USER MOD Single : A 74 ASN : amide:sc= 1.6 K(o=1.6,f=-4.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 124:sc= 0.434 USER MOD Single : A 84 ASN : amide:sc= 0.988 K(o=0.99,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.168 2.866 -2.988 1.00 0.00 N ATOM 2 CA LYS A 1 4.384 3.161 -3.774 1.00 0.00 C ATOM 3 C LYS A 1 4.014 3.555 -5.216 1.00 0.00 C ATOM 4 O LYS A 1 4.720 3.235 -6.172 1.00 0.00 O ATOM 5 CB LYS A 1 5.342 1.959 -3.707 1.00 0.00 C ATOM 6 CG LYS A 1 6.783 2.298 -4.120 1.00 0.00 C ATOM 7 CD LYS A 1 7.762 1.155 -3.811 1.00 0.00 C ATOM 8 CE LYS A 1 7.412 -0.160 -4.519 1.00 0.00 C ATOM 9 NZ LYS A 1 7.290 0.009 -5.977 1.00 0.00 N ATOM 0 H1 LYS A 1 3.439 2.505 -2.051 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.608 3.735 -2.875 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.600 2.150 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 1 4.905 4.018 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.347 1.565 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.964 1.167 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.810 2.518 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.105 3.200 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.767 1.459 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.781 0.985 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.181 -0.902 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.474 -0.547 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.188 -0.923 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.454 0.590 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.142 0.479 -6.344 1.00 0.00 H new ATOM 25 N ALA A 2 2.898 4.269 -5.387 1.00 0.00 N ATOM 26 CA ALA A 2 2.286 4.536 -6.684 1.00 0.00 C ATOM 27 C ALA A 2 2.980 5.627 -7.508 1.00 0.00 C ATOM 28 O ALA A 2 2.390 6.102 -8.475 1.00 0.00 O ATOM 29 CB ALA A 2 0.810 4.887 -6.458 1.00 0.00 C ATOM 0 H ALA A 2 2.387 4.685 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 2 2.394 3.630 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.333 5.090 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.307 4.050 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.739 5.770 -5.823 1.00 0.00 H new ATOM 35 N THR A 3 4.214 6.013 -7.160 1.00 0.00 N ATOM 36 CA THR A 3 4.935 7.120 -7.780 1.00 0.00 C ATOM 37 C THR A 3 4.017 8.342 -7.969 1.00 0.00 C ATOM 38 O THR A 3 3.314 8.715 -7.033 1.00 0.00 O ATOM 39 CB THR A 3 5.724 6.649 -9.026 1.00 0.00 C ATOM 40 OG1 THR A 3 6.430 7.725 -9.614 1.00 0.00 O ATOM 41 CG2 THR A 3 4.898 5.957 -10.113 1.00 0.00 C ATOM 0 H THR A 3 4.746 5.551 -6.423 1.00 0.00 H new ATOM 0 HA THR A 3 5.713 7.481 -7.107 1.00 0.00 H new ATOM 0 HB THR A 3 6.403 5.893 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.922 7.404 -10.398 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.550 5.669 -10.938 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.423 5.068 -9.698 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.131 6.641 -10.478 1.00 0.00 H new ATOM 49 N MET A 4 4.062 8.978 -9.141 1.00 0.00 N ATOM 50 CA MET A 4 3.276 10.148 -9.511 1.00 0.00 C ATOM 51 C MET A 4 1.952 9.703 -10.159 1.00 0.00 C ATOM 52 O MET A 4 1.372 8.691 -9.768 1.00 0.00 O ATOM 53 CB MET A 4 4.142 11.036 -10.424 1.00 0.00 C ATOM 54 CG MET A 4 5.428 11.494 -9.718 1.00 0.00 C ATOM 55 SD MET A 4 6.585 12.452 -10.728 1.00 0.00 S ATOM 56 CE MET A 4 7.181 11.173 -11.856 1.00 0.00 C ATOM 0 H MET A 4 4.680 8.673 -9.893 1.00 0.00 H new ATOM 0 HA MET A 4 2.998 10.740 -8.639 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.400 10.485 -11.329 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.567 11.908 -10.735 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.150 12.093 -8.851 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.947 10.612 -9.343 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.005 11.567 -12.450 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.526 10.313 -11.282 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.371 10.865 -12.518 1.00 0.00 H new ATOM 66 N GLN A 5 1.468 10.437 -11.167 1.00 0.00 N ATOM 67 CA GLN A 5 0.215 10.197 -11.885 1.00 0.00 C ATOM 68 C GLN A 5 -0.959 10.679 -11.029 1.00 0.00 C ATOM 69 O GLN A 5 -1.622 11.651 -11.375 1.00 0.00 O ATOM 70 CB GLN A 5 0.031 8.730 -12.324 1.00 0.00 C ATOM 71 CG GLN A 5 1.272 8.097 -12.981 1.00 0.00 C ATOM 72 CD GLN A 5 1.414 6.624 -12.611 1.00 0.00 C ATOM 73 OE1 GLN A 5 1.399 5.755 -13.477 1.00 0.00 O ATOM 74 NE2 GLN A 5 1.564 6.327 -11.323 1.00 0.00 N ATOM 0 H GLN A 5 1.965 11.254 -11.520 1.00 0.00 H new ATOM 0 HA GLN A 5 0.252 10.769 -12.812 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.246 8.136 -11.453 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.802 8.676 -13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.201 8.195 -14.064 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.165 8.639 -12.670 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.573 7.071 -10.626 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.671 5.355 -11.033 1.00 0.00 H new ATOM 83 N CYS A 6 -1.181 10.004 -9.896 1.00 0.00 N ATOM 84 CA CYS A 6 -2.107 10.397 -8.837 1.00 0.00 C ATOM 85 C CYS A 6 -3.484 10.813 -9.362 1.00 0.00 C ATOM 86 O CYS A 6 -4.012 11.869 -9.028 1.00 0.00 O ATOM 87 CB CYS A 6 -1.463 11.451 -7.924 1.00 0.00 C ATOM 88 SG CYS A 6 0.216 11.065 -7.355 1.00 0.00 S ATOM 0 H CYS A 6 -0.697 9.131 -9.686 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.305 9.514 -8.230 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.439 12.402 -8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.101 11.590 -7.051 1.00 0.00 H new ATOM 93 N GLY A 7 -4.097 9.929 -10.150 1.00 0.00 N ATOM 94 CA GLY A 7 -5.416 10.119 -10.736 1.00 0.00 C ATOM 95 C GLY A 7 -6.497 9.820 -9.702 1.00 0.00 C ATOM 96 O GLY A 7 -7.278 8.885 -9.861 1.00 0.00 O ATOM 0 H GLY A 7 -3.674 9.036 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.519 11.143 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.537 9.465 -11.599 1.00 0.00 H new ATOM 100 N GLU A 8 -6.510 10.606 -8.628 1.00 0.00 N ATOM 101 CA GLU A 8 -7.387 10.493 -7.472 1.00 0.00 C ATOM 102 C GLU A 8 -7.254 11.837 -6.749 1.00 0.00 C ATOM 103 O GLU A 8 -6.525 12.703 -7.231 1.00 0.00 O ATOM 104 CB GLU A 8 -6.929 9.276 -6.638 1.00 0.00 C ATOM 105 CG GLU A 8 -7.746 8.935 -5.381 1.00 0.00 C ATOM 106 CD GLU A 8 -9.249 8.943 -5.629 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.761 7.917 -6.125 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.848 10.000 -5.332 1.00 0.00 O ATOM 0 H GLU A 8 -5.864 11.390 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.437 10.315 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.930 8.401 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.896 9.445 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.449 7.952 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.509 9.652 -4.595 1.00 0.00 H new ATOM 115 N ASN A 9 -7.899 12.030 -5.597 1.00 0.00 N ATOM 116 CA ASN A 9 -7.727 13.234 -4.784 1.00 0.00 C ATOM 117 C ASN A 9 -6.354 13.240 -4.083 1.00 0.00 C ATOM 118 O ASN A 9 -6.269 13.449 -2.869 1.00 0.00 O ATOM 119 CB ASN A 9 -8.882 13.325 -3.773 1.00 0.00 C ATOM 120 CG ASN A 9 -8.861 14.630 -2.978 1.00 0.00 C ATOM 121 OD1 ASN A 9 -8.345 15.641 -3.445 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.431 14.641 -1.777 1.00 0.00 N ATOM 0 H ASN A 9 -8.555 11.356 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.752 14.113 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.831 13.241 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.825 12.482 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.445 15.500 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.855 13.791 -1.406 1.00 0.00 H new ATOM 129 N GLU A 10 -5.274 12.972 -4.830 1.00 0.00 N ATOM 130 CA GLU A 10 -3.936 12.801 -4.300 1.00 0.00 C ATOM 131 C GLU A 10 -2.931 13.622 -5.105 1.00 0.00 C ATOM 132 O GLU A 10 -3.147 13.915 -6.276 1.00 0.00 O ATOM 133 CB GLU A 10 -3.563 11.314 -4.305 1.00 0.00 C ATOM 134 CG GLU A 10 -4.521 10.502 -3.425 1.00 0.00 C ATOM 135 CD GLU A 10 -3.971 9.120 -3.097 1.00 0.00 C ATOM 136 OE1 GLU A 10 -3.675 8.382 -4.061 1.00 0.00 O ATOM 137 OE2 GLU A 10 -3.852 8.836 -1.885 1.00 0.00 O ATOM 0 H GLU A 10 -5.320 12.868 -5.844 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.911 13.162 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.590 10.932 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.541 11.191 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.709 11.045 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.479 10.398 -3.934 1.00 0.00 H new ATOM 144 N LYS A 11 -1.824 13.967 -4.452 1.00 0.00 N ATOM 145 CA LYS A 11 -0.647 14.596 -5.014 1.00 0.00 C ATOM 146 C LYS A 11 0.531 13.654 -4.774 1.00 0.00 C ATOM 147 O LYS A 11 0.457 12.767 -3.922 1.00 0.00 O ATOM 148 CB LYS A 11 -0.414 15.953 -4.334 1.00 0.00 C ATOM 149 CG LYS A 11 -0.301 15.834 -2.805 1.00 0.00 C ATOM 150 CD LYS A 11 0.049 17.194 -2.190 1.00 0.00 C ATOM 151 CE LYS A 11 -0.072 17.171 -0.661 1.00 0.00 C ATOM 152 NZ LYS A 11 0.756 16.111 -0.059 1.00 0.00 N ATOM 0 H LYS A 11 -1.726 13.801 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.766 14.777 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.498 16.402 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.234 16.626 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.242 15.471 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.464 15.102 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.065 17.470 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.613 17.959 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.228 18.138 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.115 17.020 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.227 16.479 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.153 15.305 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.474 15.800 -0.744 1.00 0.00 H new ATOM 166 N TYR A 12 1.628 13.864 -5.496 1.00 0.00 N ATOM 167 CA TYR A 12 2.856 13.129 -5.251 1.00 0.00 C ATOM 168 C TYR A 12 3.422 13.476 -3.868 1.00 0.00 C ATOM 169 O TYR A 12 3.331 14.625 -3.433 1.00 0.00 O ATOM 170 CB TYR A 12 3.870 13.471 -6.347 1.00 0.00 C ATOM 171 CG TYR A 12 5.220 12.834 -6.102 1.00 0.00 C ATOM 172 CD1 TYR A 12 5.338 11.438 -6.193 1.00 0.00 C ATOM 173 CD2 TYR A 12 6.259 13.587 -5.525 1.00 0.00 C ATOM 174 CE1 TYR A 12 6.501 10.798 -5.745 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.408 12.942 -5.040 1.00 0.00 C ATOM 176 CZ TYR A 12 7.526 11.546 -5.145 1.00 0.00 C ATOM 177 OH TYR A 12 8.608 10.909 -4.619 1.00 0.00 O ATOM 0 H TYR A 12 1.687 14.540 -6.257 1.00 0.00 H new ATOM 0 HA TYR A 12 2.649 12.059 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.484 13.140 -7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.987 14.553 -6.405 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.530 10.856 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.173 14.661 -5.455 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.609 9.730 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.201 13.519 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 12 8.982 11.447 -3.891 1.00 0.00 H new ATOM 187 N ASP A 13 4.048 12.501 -3.205 1.00 0.00 N ATOM 188 CA ASP A 13 4.823 12.698 -1.992 1.00 0.00 C ATOM 189 C ASP A 13 5.893 11.613 -1.882 1.00 0.00 C ATOM 190 O ASP A 13 5.622 10.425 -2.072 1.00 0.00 O ATOM 191 CB ASP A 13 3.909 12.661 -0.767 1.00 0.00 C ATOM 192 CG ASP A 13 4.692 12.703 0.541 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.631 13.524 0.619 1.00 0.00 O ATOM 194 OD2 ASP A 13 4.343 11.904 1.436 1.00 0.00 O ATOM 0 H ASP A 13 4.025 11.528 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 13 5.306 13.674 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.222 13.506 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.303 11.756 -0.796 1.00 0.00 H new ATOM 199 N SER A 14 7.108 12.015 -1.521 1.00 0.00 N ATOM 200 CA SER A 14 8.192 11.101 -1.222 1.00 0.00 C ATOM 201 C SER A 14 8.040 10.526 0.189 1.00 0.00 C ATOM 202 O SER A 14 8.953 10.709 0.992 1.00 0.00 O ATOM 203 CB SER A 14 9.528 11.848 -1.356 1.00 0.00 C ATOM 204 OG SER A 14 9.637 12.469 -2.624 1.00 0.00 O ATOM 0 H SER A 14 7.365 12.998 -1.428 1.00 0.00 H new ATOM 0 HA SER A 14 8.167 10.269 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.609 12.600 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.354 11.151 -1.216 1.00 0.00 H new ATOM 0 HG SER A 14 10.495 12.939 -2.685 1.00 0.00 H new ATOM 210 N CYS A 15 6.939 9.828 0.514 1.00 0.00 N ATOM 211 CA CYS A 15 6.903 9.094 1.782 1.00 0.00 C ATOM 212 C CYS A 15 5.962 7.891 1.902 1.00 0.00 C ATOM 213 O CYS A 15 4.970 7.922 2.633 1.00 0.00 O ATOM 214 CB CYS A 15 6.816 9.963 3.045 1.00 0.00 C ATOM 215 SG CYS A 15 7.116 8.919 4.505 1.00 0.00 S ATOM 0 H CYS A 15 6.097 9.759 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 15 7.901 8.659 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.550 10.767 3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.834 10.432 3.113 1.00 0.00 H new ATOM 220 N GLY A 16 6.327 6.788 1.247 1.00 0.00 N ATOM 221 CA GLY A 16 5.680 5.506 1.478 1.00 0.00 C ATOM 222 C GLY A 16 4.260 5.390 0.935 1.00 0.00 C ATOM 223 O GLY A 16 3.636 6.374 0.554 1.00 0.00 O ATOM 0 H GLY A 16 7.071 6.762 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.290 4.723 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.659 5.316 2.551 1.00 0.00 H new ATOM 227 N SER A 17 3.746 4.158 0.921 1.00 0.00 N ATOM 228 CA SER A 17 2.422 3.781 0.452 1.00 0.00 C ATOM 229 C SER A 17 1.317 4.378 1.329 1.00 0.00 C ATOM 230 O SER A 17 0.664 3.650 2.073 1.00 0.00 O ATOM 231 CB SER A 17 2.353 2.251 0.451 1.00 0.00 C ATOM 232 OG SER A 17 3.395 1.741 -0.361 1.00 0.00 O ATOM 0 H SER A 17 4.278 3.355 1.257 1.00 0.00 H new ATOM 0 HA SER A 17 2.260 4.174 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.448 1.870 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.386 1.918 0.074 1.00 0.00 H new ATOM 0 HG SER A 17 3.358 0.762 -0.365 1.00 0.00 H new ATOM 238 N LYS A 18 1.121 5.695 1.247 1.00 0.00 N ATOM 239 CA LYS A 18 0.185 6.459 2.064 1.00 0.00 C ATOM 240 C LYS A 18 0.491 6.219 3.542 1.00 0.00 C ATOM 241 O LYS A 18 -0.402 6.159 4.380 1.00 0.00 O ATOM 242 CB LYS A 18 -1.268 6.127 1.681 1.00 0.00 C ATOM 243 CG LYS A 18 -1.455 6.187 0.159 1.00 0.00 C ATOM 244 CD LYS A 18 -2.905 5.938 -0.260 1.00 0.00 C ATOM 245 CE LYS A 18 -2.936 5.747 -1.781 1.00 0.00 C ATOM 246 NZ LYS A 18 -4.309 5.586 -2.285 1.00 0.00 N ATOM 0 H LYS A 18 1.631 6.278 0.583 1.00 0.00 H new ATOM 0 HA LYS A 18 0.307 7.526 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.527 5.133 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.946 6.830 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.137 7.164 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.811 5.445 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.300 5.055 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.535 6.779 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.470 6.606 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.346 4.871 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.281 5.342 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.785 4.826 -1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.832 6.476 -2.158 1.00 0.00 H new ATOM 260 N GLU A 19 1.778 6.066 3.853 1.00 0.00 N ATOM 261 CA GLU A 19 2.223 5.625 5.158 1.00 0.00 C ATOM 262 C GLU A 19 2.179 6.798 6.132 1.00 0.00 C ATOM 263 O GLU A 19 1.198 6.992 6.849 1.00 0.00 O ATOM 264 CB GLU A 19 3.622 5.010 5.023 1.00 0.00 C ATOM 265 CG GLU A 19 3.554 3.602 4.409 1.00 0.00 C ATOM 266 CD GLU A 19 4.902 3.116 3.880 1.00 0.00 C ATOM 267 OE1 GLU A 19 5.922 3.413 4.535 1.00 0.00 O ATOM 268 OE2 GLU A 19 4.892 2.484 2.800 1.00 0.00 O ATOM 0 H GLU A 19 2.538 6.248 3.198 1.00 0.00 H new ATOM 0 HA GLU A 19 1.564 4.855 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.245 5.651 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.096 4.960 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.191 2.901 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.829 3.601 3.595 1.00 0.00 H new ATOM 275 N CYS A 20 3.270 7.561 6.181 1.00 0.00 N ATOM 276 CA CYS A 20 3.475 8.644 7.134 1.00 0.00 C ATOM 277 C CYS A 20 3.009 9.965 6.526 1.00 0.00 C ATOM 278 O CYS A 20 3.677 10.986 6.656 1.00 0.00 O ATOM 279 CB CYS A 20 4.943 8.656 7.579 1.00 0.00 C ATOM 280 SG CYS A 20 5.667 7.009 7.803 1.00 0.00 S ATOM 0 H CYS A 20 4.055 7.438 5.541 1.00 0.00 H new ATOM 0 HA CYS A 20 2.874 8.492 8.030 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.530 9.201 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.022 9.206 8.517 1.00 0.00 H new ATOM 285 N ASP A 21 1.878 9.922 5.817 1.00 0.00 N ATOM 286 CA ASP A 21 1.309 11.062 5.113 1.00 0.00 C ATOM 287 C ASP A 21 0.347 11.797 6.050 1.00 0.00 C ATOM 288 O ASP A 21 0.488 11.726 7.270 1.00 0.00 O ATOM 289 CB ASP A 21 0.618 10.557 3.835 1.00 0.00 C ATOM 290 CG ASP A 21 -0.712 9.851 4.109 1.00 0.00 C ATOM 291 OD1 ASP A 21 -0.725 8.987 5.012 1.00 0.00 O ATOM 292 OD2 ASP A 21 -1.696 10.223 3.433 1.00 0.00 O ATOM 0 H ASP A 21 1.324 9.072 5.718 1.00 0.00 H new ATOM 0 HA ASP A 21 2.081 11.772 4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.444 11.400 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.286 9.871 3.315 1.00 0.00 H new ATOM 297 N LYS A 22 -0.675 12.460 5.504 1.00 0.00 N ATOM 298 CA LYS A 22 -1.767 12.989 6.304 1.00 0.00 C ATOM 299 C LYS A 22 -2.695 11.827 6.683 1.00 0.00 C ATOM 300 O LYS A 22 -3.846 11.752 6.260 1.00 0.00 O ATOM 301 CB LYS A 22 -2.477 14.115 5.542 1.00 0.00 C ATOM 302 CG LYS A 22 -1.563 15.349 5.458 1.00 0.00 C ATOM 303 CD LYS A 22 -2.284 16.587 4.901 1.00 0.00 C ATOM 304 CE LYS A 22 -2.172 16.709 3.378 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.776 15.560 2.690 1.00 0.00 N ATOM 0 H LYS A 22 -0.763 12.641 4.504 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.402 13.436 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.740 13.778 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.408 14.375 6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.175 15.576 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.706 15.118 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.337 16.544 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.868 17.482 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.661 17.626 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.122 16.790 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.801 15.742 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.210 14.707 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.745 15.416 3.040 1.00 0.00 H new ATOM 319 N LYS A 23 -2.167 10.902 7.481 1.00 0.00 N ATOM 320 CA LYS A 23 -2.925 9.844 8.128 1.00 0.00 C ATOM 321 C LYS A 23 -3.884 10.476 9.136 1.00 0.00 C ATOM 322 O LYS A 23 -3.469 11.326 9.922 1.00 0.00 O ATOM 323 CB LYS A 23 -1.983 8.809 8.780 1.00 0.00 C ATOM 324 CG LYS A 23 -0.534 9.251 9.068 1.00 0.00 C ATOM 325 CD LYS A 23 -0.348 10.424 10.049 1.00 0.00 C ATOM 326 CE LYS A 23 -0.887 10.143 11.455 1.00 0.00 C ATOM 327 NZ LYS A 23 -0.243 8.977 12.079 1.00 0.00 N ATOM 0 H LYS A 23 -1.171 10.870 7.699 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.510 9.297 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.432 8.491 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.946 7.933 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.012 8.392 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.067 9.523 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.713 10.664 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.849 11.305 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.731 11.020 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.963 9.976 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.591 8.868 13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.469 8.122 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.788 9.116 12.094 1.00 0.00 H new ATOM 341 N CYS A 24 -5.164 10.090 9.122 1.00 0.00 N ATOM 342 CA CYS A 24 -6.080 10.540 10.166 1.00 0.00 C ATOM 343 C CYS A 24 -5.629 10.017 11.529 1.00 0.00 C ATOM 344 O CYS A 24 -5.425 10.795 12.456 1.00 0.00 O ATOM 345 CB CYS A 24 -7.513 10.089 9.888 1.00 0.00 C ATOM 346 SG CYS A 24 -8.557 10.283 11.352 1.00 0.00 S ATOM 0 H CYS A 24 -5.579 9.482 8.416 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.062 11.630 10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.926 10.671 9.064 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.514 9.045 9.574 1.00 0.00 H new ATOM 351 N LYS A 25 -5.496 8.690 11.644 1.00 0.00 N ATOM 352 CA LYS A 25 -5.065 7.998 12.852 1.00 0.00 C ATOM 353 C LYS A 25 -5.790 8.495 14.111 1.00 0.00 C ATOM 354 O LYS A 25 -5.186 8.678 15.167 1.00 0.00 O ATOM 355 CB LYS A 25 -3.542 8.105 12.965 1.00 0.00 C ATOM 356 CG LYS A 25 -2.919 7.043 13.886 1.00 0.00 C ATOM 357 CD LYS A 25 -2.834 5.669 13.208 1.00 0.00 C ATOM 358 CE LYS A 25 -2.125 4.642 14.096 1.00 0.00 C ATOM 359 NZ LYS A 25 -1.968 3.353 13.397 1.00 0.00 N ATOM 0 H LYS A 25 -5.693 8.054 10.871 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.340 6.946 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.105 8.014 11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.282 9.096 13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.920 7.362 14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.512 6.961 14.797 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.838 5.316 12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.300 5.762 12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.146 5.023 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.695 4.495 15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.825 2.595 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.823 3.154 12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.145 3.400 12.763 1.00 0.00 H new ATOM 373 N TYR A 26 -7.107 8.671 14.007 1.00 0.00 N ATOM 374 CA TYR A 26 -7.953 9.044 15.130 1.00 0.00 C ATOM 375 C TYR A 26 -7.828 8.104 16.330 1.00 0.00 C ATOM 376 O TYR A 26 -7.958 8.556 17.465 1.00 0.00 O ATOM 377 CB TYR A 26 -9.412 9.228 14.701 1.00 0.00 C ATOM 378 CG TYR A 26 -10.188 8.084 14.055 1.00 0.00 C ATOM 379 CD1 TYR A 26 -9.589 7.052 13.295 1.00 0.00 C ATOM 380 CD2 TYR A 26 -11.583 8.235 14.007 1.00 0.00 C ATOM 381 CE1 TYR A 26 -10.365 6.278 12.412 1.00 0.00 C ATOM 382 CE2 TYR A 26 -12.355 7.428 13.162 1.00 0.00 C ATOM 383 CZ TYR A 26 -11.749 6.482 12.328 1.00 0.00 C ATOM 384 OH TYR A 26 -12.511 5.759 11.460 1.00 0.00 O ATOM 0 H TYR A 26 -7.617 8.557 13.131 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.581 10.009 15.474 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.970 9.533 15.586 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.437 10.066 14.004 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.531 6.857 13.393 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.064 8.978 14.626 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.893 5.525 11.798 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.429 7.537 13.154 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.440 6.067 11.505 1.00 0.00 H new ATOM 394 N ASP A 27 -7.579 6.810 16.096 1.00 0.00 N ATOM 395 CA ASP A 27 -7.468 5.822 17.158 1.00 0.00 C ATOM 396 C ASP A 27 -8.779 5.811 17.957 1.00 0.00 C ATOM 397 O ASP A 27 -9.836 5.552 17.382 1.00 0.00 O ATOM 398 CB ASP A 27 -6.184 6.071 17.977 1.00 0.00 C ATOM 399 CG ASP A 27 -5.936 5.011 19.046 1.00 0.00 C ATOM 400 OD1 ASP A 27 -5.436 3.928 18.678 1.00 0.00 O ATOM 401 OD2 ASP A 27 -6.256 5.309 20.217 1.00 0.00 O ATOM 0 H ASP A 27 -7.450 6.425 15.160 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.349 4.811 16.768 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.330 6.102 17.300 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.249 7.049 18.453 1.00 0.00 H new ATOM 406 N GLY A 28 -8.738 6.072 19.265 1.00 0.00 N ATOM 407 CA GLY A 28 -9.880 5.930 20.150 1.00 0.00 C ATOM 408 C GLY A 28 -10.184 4.446 20.335 1.00 0.00 C ATOM 409 O GLY A 28 -9.868 3.844 21.361 1.00 0.00 O ATOM 0 H GLY A 28 -7.894 6.393 19.740 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.670 6.394 21.114 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.746 6.442 19.732 1.00 0.00 H new ATOM 413 N VAL A 29 -10.766 3.868 19.289 1.00 0.00 N ATOM 414 CA VAL A 29 -10.980 2.443 19.084 1.00 0.00 C ATOM 415 C VAL A 29 -10.612 2.097 17.636 1.00 0.00 C ATOM 416 O VAL A 29 -10.068 1.030 17.364 1.00 0.00 O ATOM 417 CB VAL A 29 -12.429 2.063 19.440 1.00 0.00 C ATOM 418 CG1 VAL A 29 -12.746 0.607 19.076 1.00 0.00 C ATOM 419 CG2 VAL A 29 -12.664 2.242 20.947 1.00 0.00 C ATOM 0 H VAL A 29 -11.124 4.422 18.511 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.340 1.858 19.745 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.081 2.720 18.865 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.778 0.381 19.344 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.609 0.462 18.004 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.076 -0.058 19.621 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.691 1.971 21.190 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.979 1.600 21.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.489 3.282 21.222 1.00 0.00 H new ATOM 429 N GLU A 30 -10.878 3.007 16.696 1.00 0.00 N ATOM 430 CA GLU A 30 -10.593 2.862 15.284 1.00 0.00 C ATOM 431 C GLU A 30 -9.090 3.021 15.007 1.00 0.00 C ATOM 432 O GLU A 30 -8.662 3.979 14.362 1.00 0.00 O ATOM 433 CB GLU A 30 -11.429 3.886 14.501 1.00 0.00 C ATOM 434 CG GLU A 30 -12.952 3.717 14.664 1.00 0.00 C ATOM 435 CD GLU A 30 -13.555 4.302 15.945 1.00 0.00 C ATOM 436 OE1 GLU A 30 -12.803 4.904 16.744 1.00 0.00 O ATOM 437 OE2 GLU A 30 -14.787 4.149 16.096 1.00 0.00 O ATOM 0 H GLU A 30 -11.317 3.901 16.918 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.866 1.859 14.955 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.150 4.889 14.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.178 3.810 13.443 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.443 4.181 13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.186 2.653 14.628 1.00 0.00 H new ATOM 444 N GLU A 31 -8.289 2.074 15.503 1.00 0.00 N ATOM 445 CA GLU A 31 -6.877 1.943 15.152 1.00 0.00 C ATOM 446 C GLU A 31 -6.774 1.114 13.869 1.00 0.00 C ATOM 447 O GLU A 31 -5.936 1.384 13.006 1.00 0.00 O ATOM 448 CB GLU A 31 -6.032 1.375 16.309 1.00 0.00 C ATOM 449 CG GLU A 31 -6.713 0.396 17.280 1.00 0.00 C ATOM 450 CD GLU A 31 -7.143 -0.906 16.616 1.00 0.00 C ATOM 451 OE1 GLU A 31 -6.283 -1.806 16.515 1.00 0.00 O ATOM 452 OE2 GLU A 31 -8.315 -0.960 16.181 1.00 0.00 O ATOM 0 H GLU A 31 -8.609 1.369 16.167 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.454 2.931 14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.168 0.871 15.877 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.653 2.215 16.891 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.029 0.171 18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.586 0.878 17.719 1.00 0.00 H new ATOM 459 N GLU A 32 -7.657 0.117 13.750 1.00 0.00 N ATOM 460 CA GLU A 32 -7.885 -0.653 12.545 1.00 0.00 C ATOM 461 C GLU A 32 -8.174 0.280 11.365 1.00 0.00 C ATOM 462 O GLU A 32 -8.420 1.473 11.547 1.00 0.00 O ATOM 463 CB GLU A 32 -9.002 -1.684 12.792 1.00 0.00 C ATOM 464 CG GLU A 32 -10.339 -1.107 13.295 1.00 0.00 C ATOM 465 CD GLU A 32 -11.066 -0.259 12.255 1.00 0.00 C ATOM 466 OE1 GLU A 32 -11.241 -0.774 11.130 1.00 0.00 O ATOM 467 OE2 GLU A 32 -11.433 0.884 12.603 1.00 0.00 O ATOM 0 H GLU A 32 -8.250 -0.179 14.526 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.987 -1.212 12.281 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.186 -2.224 11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.645 -2.413 13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.988 -1.928 13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.153 -0.500 14.181 1.00 0.00 H new ATOM 474 N ASP A 33 -8.123 -0.260 10.146 1.00 0.00 N ATOM 475 CA ASP A 33 -8.221 0.496 8.906 1.00 0.00 C ATOM 476 C ASP A 33 -6.979 1.371 8.686 1.00 0.00 C ATOM 477 O ASP A 33 -6.256 1.156 7.718 1.00 0.00 O ATOM 478 CB ASP A 33 -9.545 1.278 8.812 1.00 0.00 C ATOM 479 CG ASP A 33 -10.495 0.662 7.789 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.081 0.563 6.614 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.630 0.321 8.189 1.00 0.00 O ATOM 0 H ASP A 33 -8.009 -1.262 9.995 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.243 -0.216 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.026 1.297 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.338 2.313 8.539 1.00 0.00 H new ATOM 486 N ASP A 34 -6.703 2.332 9.577 1.00 0.00 N ATOM 487 CA ASP A 34 -5.500 3.159 9.477 1.00 0.00 C ATOM 488 C ASP A 34 -4.259 2.272 9.653 1.00 0.00 C ATOM 489 O ASP A 34 -3.373 2.260 8.795 1.00 0.00 O ATOM 490 CB ASP A 34 -5.559 4.331 10.467 1.00 0.00 C ATOM 491 CG ASP A 34 -4.570 5.438 10.096 1.00 0.00 C ATOM 492 OD1 ASP A 34 -3.353 5.149 10.091 1.00 0.00 O ATOM 493 OD2 ASP A 34 -5.050 6.566 9.844 1.00 0.00 O ATOM 0 H ASP A 34 -7.299 2.554 10.375 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.437 3.612 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.570 4.739 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.340 3.970 11.472 1.00 0.00 H new ATOM 498 N GLU A 35 -4.236 1.517 10.761 1.00 0.00 N ATOM 499 CA GLU A 35 -3.326 0.421 11.098 1.00 0.00 C ATOM 500 C GLU A 35 -1.834 0.732 11.195 1.00 0.00 C ATOM 501 O GLU A 35 -1.229 0.484 12.237 1.00 0.00 O ATOM 502 CB GLU A 35 -3.566 -0.766 10.150 1.00 0.00 C ATOM 503 CG GLU A 35 -4.931 -1.385 10.461 1.00 0.00 C ATOM 504 CD GLU A 35 -5.420 -2.376 9.412 1.00 0.00 C ATOM 505 OE1 GLU A 35 -4.562 -2.954 8.713 1.00 0.00 O ATOM 506 OE2 GLU A 35 -6.659 -2.540 9.348 1.00 0.00 O ATOM 0 H GLU A 35 -4.914 1.674 11.507 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.588 0.183 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.532 -0.432 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.779 -1.510 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.877 -1.890 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.666 -0.586 10.561 1.00 0.00 H new ATOM 513 N GLU A 36 -1.219 1.178 10.101 1.00 0.00 N ATOM 514 CA GLU A 36 0.228 1.289 9.996 1.00 0.00 C ATOM 515 C GLU A 36 0.844 2.069 11.168 1.00 0.00 C ATOM 516 O GLU A 36 0.257 3.057 11.610 1.00 0.00 O ATOM 517 CB GLU A 36 0.602 1.920 8.650 1.00 0.00 C ATOM 518 CG GLU A 36 0.142 1.034 7.482 1.00 0.00 C ATOM 519 CD GLU A 36 0.632 1.584 6.150 1.00 0.00 C ATOM 520 OE1 GLU A 36 0.148 2.676 5.788 1.00 0.00 O ATOM 521 OE2 GLU A 36 1.493 0.920 5.534 1.00 0.00 O ATOM 0 H GLU A 36 -1.716 1.473 9.261 1.00 0.00 H new ATOM 0 HA GLU A 36 0.645 0.283 10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.144 2.906 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.681 2.064 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.518 0.020 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.946 0.972 7.475 1.00 0.00 H new ATOM 528 N PRO A 37 2.034 1.670 11.656 1.00 0.00 N ATOM 529 CA PRO A 37 2.762 2.371 12.710 1.00 0.00 C ATOM 530 C PRO A 37 3.399 3.641 12.129 1.00 0.00 C ATOM 531 O PRO A 37 4.621 3.800 12.072 1.00 0.00 O ATOM 532 CB PRO A 37 3.790 1.355 13.215 1.00 0.00 C ATOM 533 CG PRO A 37 4.119 0.559 11.952 1.00 0.00 C ATOM 534 CD PRO A 37 2.767 0.482 11.243 1.00 0.00 C ATOM 0 HA PRO A 37 2.133 2.709 13.534 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.673 1.843 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.380 0.719 14.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.869 1.061 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.510 -0.431 12.187 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.894 0.458 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.230 -0.425 11.522 1.00 0.00 H new ATOM 542 N ASN A 38 2.532 4.543 11.674 1.00 0.00 N ATOM 543 CA ASN A 38 2.859 5.727 10.899 1.00 0.00 C ATOM 544 C ASN A 38 3.162 6.918 11.807 1.00 0.00 C ATOM 545 O ASN A 38 3.991 7.747 11.448 1.00 0.00 O ATOM 546 CB ASN A 38 1.755 6.010 9.868 1.00 0.00 C ATOM 547 CG ASN A 38 0.338 5.985 10.436 1.00 0.00 C ATOM 548 OD1 ASN A 38 0.145 6.106 11.642 1.00 0.00 O ATOM 549 ND2 ASN A 38 -0.654 5.824 9.566 1.00 0.00 N ATOM 0 H ASN A 38 1.531 4.459 11.848 1.00 0.00 H new ATOM 0 HA ASN A 38 3.775 5.545 10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.936 6.987 9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.825 5.274 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.620 5.797 9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.449 5.727 8.571 1.00 0.00 H new ATOM 556 N VAL A 39 2.569 6.978 13.005 1.00 0.00 N ATOM 557 CA VAL A 39 2.915 7.966 14.033 1.00 0.00 C ATOM 558 C VAL A 39 4.442 8.077 14.233 1.00 0.00 C ATOM 559 O VAL A 39 4.998 9.141 13.973 1.00 0.00 O ATOM 560 CB VAL A 39 2.128 7.706 15.336 1.00 0.00 C ATOM 561 CG1 VAL A 39 2.575 8.641 16.469 1.00 0.00 C ATOM 562 CG2 VAL A 39 0.630 7.908 15.107 1.00 0.00 C ATOM 0 H VAL A 39 1.829 6.337 13.290 1.00 0.00 H new ATOM 0 HA VAL A 39 2.604 8.951 13.684 1.00 0.00 H new ATOM 0 HB VAL A 39 2.331 6.675 15.626 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.997 8.426 17.368 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.634 8.485 16.673 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.411 9.677 16.172 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.091 7.720 16.036 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.447 8.932 14.781 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.283 7.216 14.340 1.00 0.00 H new ATOM 572 N PRO A 40 5.155 7.013 14.649 1.00 0.00 N ATOM 573 CA PRO A 40 6.616 7.018 14.719 1.00 0.00 C ATOM 574 C PRO A 40 7.273 6.798 13.347 1.00 0.00 C ATOM 575 O PRO A 40 8.491 6.626 13.273 1.00 0.00 O ATOM 576 CB PRO A 40 6.951 5.845 15.646 1.00 0.00 C ATOM 577 CG PRO A 40 5.856 4.841 15.288 1.00 0.00 C ATOM 578 CD PRO A 40 4.639 5.746 15.143 1.00 0.00 C ATOM 0 HA PRO A 40 6.988 7.980 15.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.948 5.447 15.458 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.915 6.131 16.697 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.079 4.305 14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.718 4.092 16.067 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.914 5.320 14.450 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.130 5.875 16.098 1.00 0.00 H new ATOM 586 N CYS A 41 6.481 6.761 12.269 1.00 0.00 N ATOM 587 CA CYS A 41 6.873 6.359 10.927 1.00 0.00 C ATOM 588 C CYS A 41 7.794 5.137 10.936 1.00 0.00 C ATOM 589 O CYS A 41 8.808 5.102 10.246 1.00 0.00 O ATOM 590 CB CYS A 41 7.454 7.566 10.183 1.00 0.00 C ATOM 591 SG CYS A 41 7.627 7.335 8.401 1.00 0.00 S ATOM 0 H CYS A 41 5.497 7.026 12.320 1.00 0.00 H new ATOM 0 HA CYS A 41 5.991 6.030 10.378 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.815 8.430 10.364 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.432 7.799 10.603 1.00 0.00 H new ATOM 596 N LEU A 42 7.424 4.109 11.712 1.00 0.00 N ATOM 597 CA LEU A 42 8.292 2.966 11.997 1.00 0.00 C ATOM 598 C LEU A 42 8.687 2.243 10.710 1.00 0.00 C ATOM 599 O LEU A 42 9.807 1.754 10.588 1.00 0.00 O ATOM 600 CB LEU A 42 7.604 2.020 12.988 1.00 0.00 C ATOM 601 CG LEU A 42 8.431 0.782 13.376 1.00 0.00 C ATOM 602 CD1 LEU A 42 9.752 1.161 14.057 1.00 0.00 C ATOM 603 CD2 LEU A 42 7.604 -0.087 14.331 1.00 0.00 C ATOM 0 H LEU A 42 6.510 4.050 12.160 1.00 0.00 H new ATOM 0 HA LEU A 42 9.212 3.329 12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.363 2.577 13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.659 1.688 12.557 1.00 0.00 H new ATOM 0 HG LEU A 42 8.673 0.238 12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.302 0.256 14.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.350 1.769 13.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.544 1.728 14.964 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.181 -0.968 14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.358 0.487 15.224 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.684 -0.399 13.835 1.00 0.00 H new ATOM 615 N VAL A 43 7.760 2.201 9.749 1.00 0.00 N ATOM 616 CA VAL A 43 8.000 1.749 8.385 1.00 0.00 C ATOM 617 C VAL A 43 9.322 2.296 7.830 1.00 0.00 C ATOM 618 O VAL A 43 10.065 1.557 7.188 1.00 0.00 O ATOM 619 CB VAL A 43 6.809 2.132 7.485 1.00 0.00 C ATOM 620 CG1 VAL A 43 5.570 1.291 7.825 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.443 3.619 7.581 1.00 0.00 C ATOM 0 H VAL A 43 6.795 2.490 9.908 1.00 0.00 H new ATOM 0 HA VAL A 43 8.090 0.663 8.396 1.00 0.00 H new ATOM 0 HB VAL A 43 7.130 1.928 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.744 1.581 7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.795 0.235 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.290 1.459 8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.598 3.829 6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.174 3.862 8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.297 4.224 7.277 1.00 0.00 H new ATOM 631 N ARG A 44 9.611 3.582 8.059 1.00 0.00 N ATOM 632 CA ARG A 44 10.857 4.267 7.731 1.00 0.00 C ATOM 633 C ARG A 44 11.067 4.497 6.227 1.00 0.00 C ATOM 634 O ARG A 44 11.556 5.556 5.837 1.00 0.00 O ATOM 635 CB ARG A 44 12.053 3.568 8.401 1.00 0.00 C ATOM 636 CG ARG A 44 13.288 4.470 8.568 1.00 0.00 C ATOM 637 CD ARG A 44 13.043 5.705 9.450 1.00 0.00 C ATOM 638 NE ARG A 44 12.408 5.337 10.727 1.00 0.00 N ATOM 639 CZ ARG A 44 11.500 6.064 11.399 1.00 0.00 C ATOM 640 NH1 ARG A 44 11.186 7.306 11.019 1.00 0.00 N ATOM 641 NH2 ARG A 44 10.894 5.535 12.466 1.00 0.00 N ATOM 0 H ARG A 44 8.938 4.206 8.505 1.00 0.00 H new ATOM 0 HA ARG A 44 10.779 5.272 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.746 3.204 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.330 2.696 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.099 3.883 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.621 4.799 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.990 6.208 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.409 6.414 8.918 1.00 0.00 H new ATOM 0 HE ARG A 44 12.684 4.446 11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.639 7.720 10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.494 7.840 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.122 4.587 12.764 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.203 6.080 12.982 1.00 0.00 H new ATOM 655 N VAL A 45 10.716 3.524 5.380 1.00 0.00 N ATOM 656 CA VAL A 45 10.877 3.568 3.933 1.00 0.00 C ATOM 657 C VAL A 45 9.958 4.612 3.282 1.00 0.00 C ATOM 658 O VAL A 45 9.001 4.283 2.583 1.00 0.00 O ATOM 659 CB VAL A 45 10.721 2.155 3.329 1.00 0.00 C ATOM 660 CG1 VAL A 45 11.882 1.259 3.778 1.00 0.00 C ATOM 661 CG2 VAL A 45 9.398 1.447 3.672 1.00 0.00 C ATOM 0 H VAL A 45 10.296 2.652 5.702 1.00 0.00 H new ATOM 0 HA VAL A 45 11.891 3.900 3.710 1.00 0.00 H new ATOM 0 HB VAL A 45 10.723 2.309 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.762 0.265 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.825 1.690 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.885 1.185 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.380 0.463 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.314 1.336 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.562 2.040 3.302 1.00 0.00 H new ATOM 671 N CYS A 46 10.281 5.894 3.470 1.00 0.00 N ATOM 672 CA CYS A 46 9.599 7.006 2.824 1.00 0.00 C ATOM 673 C CYS A 46 9.885 6.998 1.311 1.00 0.00 C ATOM 674 O CYS A 46 10.610 7.852 0.806 1.00 0.00 O ATOM 675 CB CYS A 46 10.030 8.349 3.447 1.00 0.00 C ATOM 676 SG CYS A 46 9.166 8.967 4.916 1.00 0.00 S ATOM 0 H CYS A 46 11.038 6.188 4.087 1.00 0.00 H new ATOM 0 HA CYS A 46 8.526 6.889 2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.087 8.268 3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.945 9.111 2.672 1.00 0.00 H new ATOM 681 N HIS A 47 9.305 6.049 0.571 1.00 0.00 N ATOM 682 CA HIS A 47 9.488 5.922 -0.870 1.00 0.00 C ATOM 683 C HIS A 47 8.277 6.463 -1.644 1.00 0.00 C ATOM 684 O HIS A 47 7.137 6.163 -1.299 1.00 0.00 O ATOM 685 CB HIS A 47 9.827 4.470 -1.244 1.00 0.00 C ATOM 686 CG HIS A 47 8.851 3.419 -0.773 1.00 0.00 C ATOM 687 ND1 HIS A 47 7.479 3.494 -0.821 1.00 0.00 N ATOM 688 CD2 HIS A 47 9.176 2.191 -0.260 1.00 0.00 C ATOM 689 CE1 HIS A 47 6.990 2.346 -0.322 1.00 0.00 C ATOM 690 NE2 HIS A 47 7.987 1.514 0.021 1.00 0.00 N ATOM 0 H HIS A 47 8.687 5.340 0.965 1.00 0.00 H new ATOM 0 HA HIS A 47 10.336 6.540 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.905 4.404 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.810 4.232 -0.839 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.931 4.279 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.175 1.813 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.939 2.123 -0.212 1.00 0.00 H new ATOM 698 N GLN A 48 8.565 7.257 -2.678 1.00 0.00 N ATOM 699 CA GLN A 48 7.698 7.773 -3.739 1.00 0.00 C ATOM 700 C GLN A 48 6.278 7.194 -3.784 1.00 0.00 C ATOM 701 O GLN A 48 6.113 5.997 -4.012 1.00 0.00 O ATOM 702 CB GLN A 48 8.424 7.583 -5.089 1.00 0.00 C ATOM 703 CG GLN A 48 8.972 6.165 -5.356 1.00 0.00 C ATOM 704 CD GLN A 48 8.283 5.459 -6.523 1.00 0.00 C ATOM 705 OE1 GLN A 48 8.808 5.409 -7.631 1.00 0.00 O ATOM 706 NE2 GLN A 48 7.110 4.888 -6.278 1.00 0.00 N ATOM 0 H GLN A 48 9.520 7.591 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 48 7.529 8.827 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.735 7.844 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.253 8.289 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.041 6.229 -5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.854 5.562 -4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.699 4.947 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.620 4.390 -7.021 1.00 0.00 H new ATOM 715 N ASP A 49 5.248 8.033 -3.619 1.00 0.00 N ATOM 716 CA ASP A 49 3.862 7.585 -3.651 1.00 0.00 C ATOM 717 C ASP A 49 2.907 8.756 -3.905 1.00 0.00 C ATOM 718 O ASP A 49 3.315 9.913 -3.836 1.00 0.00 O ATOM 719 CB ASP A 49 3.555 6.935 -2.298 1.00 0.00 C ATOM 720 CG ASP A 49 2.169 6.315 -2.232 1.00 0.00 C ATOM 721 OD1 ASP A 49 1.860 5.511 -3.140 1.00 0.00 O ATOM 722 OD2 ASP A 49 1.438 6.655 -1.281 1.00 0.00 O ATOM 0 H ASP A 49 5.357 9.035 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 49 3.722 6.873 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.300 6.166 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.648 7.685 -1.512 1.00 0.00 H new ATOM 727 N CYS A 50 1.632 8.448 -4.161 1.00 0.00 N ATOM 728 CA CYS A 50 0.534 9.403 -4.223 1.00 0.00 C ATOM 729 C CYS A 50 -0.155 9.435 -2.865 1.00 0.00 C ATOM 730 O CYS A 50 -0.562 8.383 -2.382 1.00 0.00 O ATOM 731 CB CYS A 50 -0.483 8.942 -5.268 1.00 0.00 C ATOM 732 SG CYS A 50 0.120 9.023 -6.955 1.00 0.00 S ATOM 0 H CYS A 50 1.331 7.489 -4.337 1.00 0.00 H new ATOM 0 HA CYS A 50 0.917 10.389 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.777 7.916 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.380 9.556 -5.183 1.00 0.00 H new ATOM 737 N VAL A 51 -0.304 10.613 -2.253 1.00 0.00 N ATOM 738 CA VAL A 51 -0.964 10.777 -0.963 1.00 0.00 C ATOM 739 C VAL A 51 -1.960 11.932 -1.055 1.00 0.00 C ATOM 740 O VAL A 51 -1.858 12.749 -1.965 1.00 0.00 O ATOM 741 CB VAL A 51 0.071 11.000 0.151 1.00 0.00 C ATOM 742 CG1 VAL A 51 1.176 9.935 0.106 1.00 0.00 C ATOM 743 CG2 VAL A 51 0.684 12.405 0.094 1.00 0.00 C ATOM 0 H VAL A 51 0.037 11.489 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.510 9.868 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.462 10.908 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.893 10.120 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.734 8.947 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.687 9.981 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.410 12.518 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.182 12.546 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.103 13.150 0.207 1.00 0.00 H new ATOM 753 N CYS A 52 -2.920 11.998 -0.132 1.00 0.00 N ATOM 754 CA CYS A 52 -4.040 12.936 -0.183 1.00 0.00 C ATOM 755 C CYS A 52 -3.615 14.382 -0.448 1.00 0.00 C ATOM 756 O CYS A 52 -2.582 14.834 0.046 1.00 0.00 O ATOM 757 CB CYS A 52 -4.864 12.838 1.103 1.00 0.00 C ATOM 758 SG CYS A 52 -5.539 11.202 1.469 1.00 0.00 S ATOM 0 H CYS A 52 -2.941 11.390 0.687 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.654 12.645 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.239 13.150 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.689 13.547 1.040 1.00 0.00 H new ATOM 763 N GLU A 53 -4.421 15.115 -1.223 1.00 0.00 N ATOM 764 CA GLU A 53 -4.195 16.536 -1.466 1.00 0.00 C ATOM 765 C GLU A 53 -4.306 17.367 -0.178 1.00 0.00 C ATOM 766 O GLU A 53 -4.816 16.910 0.846 1.00 0.00 O ATOM 767 CB GLU A 53 -5.158 17.041 -2.551 1.00 0.00 C ATOM 768 CG GLU A 53 -4.716 16.564 -3.937 1.00 0.00 C ATOM 769 CD GLU A 53 -5.728 16.939 -5.015 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.121 18.126 -5.037 1.00 0.00 O ATOM 771 OE2 GLU A 53 -6.081 16.036 -5.803 1.00 0.00 O ATOM 0 H GLU A 53 -5.243 14.739 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.173 16.661 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.166 16.683 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.196 18.130 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.747 17.001 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.583 15.482 -3.924 1.00 0.00 H new ATOM 778 N GLU A 54 -3.820 18.609 -0.253 1.00 0.00 N ATOM 779 CA GLU A 54 -3.811 19.582 0.830 1.00 0.00 C ATOM 780 C GLU A 54 -5.163 19.623 1.552 1.00 0.00 C ATOM 781 O GLU A 54 -6.204 19.702 0.907 1.00 0.00 O ATOM 782 CB GLU A 54 -3.462 20.978 0.290 1.00 0.00 C ATOM 783 CG GLU A 54 -2.121 21.041 -0.462 1.00 0.00 C ATOM 784 CD GLU A 54 -2.280 20.876 -1.973 1.00 0.00 C ATOM 785 OE1 GLU A 54 -2.498 19.721 -2.399 1.00 0.00 O ATOM 786 OE2 GLU A 54 -2.188 21.907 -2.672 1.00 0.00 O ATOM 0 H GLU A 54 -3.405 18.975 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.051 19.275 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.258 21.307 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.434 21.682 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.638 21.996 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.461 20.261 -0.084 1.00 0.00 H new ATOM 793 N GLY A 55 -5.148 19.561 2.887 1.00 0.00 N ATOM 794 CA GLY A 55 -6.354 19.656 3.702 1.00 0.00 C ATOM 795 C GLY A 55 -7.075 18.317 3.867 1.00 0.00 C ATOM 796 O GLY A 55 -7.783 18.122 4.858 1.00 0.00 O ATOM 0 H GLY A 55 -4.293 19.443 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.090 20.043 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.036 20.375 3.248 1.00 0.00 H new ATOM 800 N PHE A 56 -6.909 17.391 2.918 1.00 0.00 N ATOM 801 CA PHE A 56 -7.524 16.079 2.980 1.00 0.00 C ATOM 802 C PHE A 56 -6.598 15.131 3.740 1.00 0.00 C ATOM 803 O PHE A 56 -5.383 15.312 3.726 1.00 0.00 O ATOM 804 CB PHE A 56 -7.793 15.590 1.559 1.00 0.00 C ATOM 805 CG PHE A 56 -8.666 16.520 0.741 1.00 0.00 C ATOM 806 CD1 PHE A 56 -10.055 16.536 0.941 1.00 0.00 C ATOM 807 CD2 PHE A 56 -8.112 17.289 -0.297 1.00 0.00 C ATOM 808 CE1 PHE A 56 -10.898 17.143 -0.005 1.00 0.00 C ATOM 809 CE2 PHE A 56 -8.949 17.924 -1.228 1.00 0.00 C ATOM 810 CZ PHE A 56 -10.344 17.833 -1.096 1.00 0.00 C ATOM 0 H PHE A 56 -6.340 17.540 2.085 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.475 16.119 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.841 15.457 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.269 14.611 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.477 16.080 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.040 17.392 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.970 17.079 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.520 18.483 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.989 18.292 -1.831 1.00 0.00 H new ATOM 820 N TYR A 57 -7.165 14.130 4.414 1.00 0.00 N ATOM 821 CA TYR A 57 -6.422 13.151 5.192 1.00 0.00 C ATOM 822 C TYR A 57 -6.862 11.771 4.751 1.00 0.00 C ATOM 823 O TYR A 57 -8.042 11.581 4.466 1.00 0.00 O ATOM 824 CB TYR A 57 -6.739 13.321 6.685 1.00 0.00 C ATOM 825 CG TYR A 57 -6.025 14.476 7.352 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.400 15.802 7.072 1.00 0.00 C ATOM 827 CD2 TYR A 57 -4.957 14.221 8.233 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.678 16.870 7.631 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.244 15.290 8.801 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.597 16.614 8.490 1.00 0.00 C ATOM 831 OH TYR A 57 -3.888 17.655 9.010 1.00 0.00 O ATOM 0 H TYR A 57 -8.173 13.978 4.432 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.352 13.287 5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.814 13.459 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.478 12.400 7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.243 16.000 6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.686 13.203 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.955 17.888 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.425 15.094 9.477 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.174 17.309 9.585 1.00 0.00 H new ATOM 841 N ARG A 58 -5.956 10.792 4.715 1.00 0.00 N ATOM 842 CA ARG A 58 -6.432 9.436 4.523 1.00 0.00 C ATOM 843 C ARG A 58 -7.115 9.030 5.821 1.00 0.00 C ATOM 844 O ARG A 58 -6.479 8.804 6.850 1.00 0.00 O ATOM 845 CB ARG A 58 -5.396 8.455 3.971 1.00 0.00 C ATOM 846 CG ARG A 58 -4.107 8.185 4.751 1.00 0.00 C ATOM 847 CD ARG A 58 -4.200 6.938 5.646 1.00 0.00 C ATOM 848 NE ARG A 58 -2.862 6.449 5.984 1.00 0.00 N ATOM 849 CZ ARG A 58 -2.577 5.255 6.522 1.00 0.00 C ATOM 850 NH1 ARG A 58 -3.536 4.418 6.938 1.00 0.00 N ATOM 851 NH2 ARG A 58 -1.293 4.901 6.588 1.00 0.00 N ATOM 0 H ARG A 58 -4.947 10.906 4.811 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.157 9.401 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.898 7.497 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.108 8.810 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.282 8.062 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.873 9.052 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.747 7.177 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.761 6.156 5.134 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.077 7.072 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.517 4.682 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.285 3.516 7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.572 5.531 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.032 4.001 6.990 1.00 0.00 H new ATOM 865 N ASN A 59 -8.448 9.034 5.777 1.00 0.00 N ATOM 866 CA ASN A 59 -9.281 8.695 6.923 1.00 0.00 C ATOM 867 C ASN A 59 -9.026 7.243 7.317 1.00 0.00 C ATOM 868 O ASN A 59 -9.085 6.891 8.491 1.00 0.00 O ATOM 869 CB ASN A 59 -10.762 8.946 6.615 1.00 0.00 C ATOM 870 CG ASN A 59 -11.132 10.427 6.595 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.176 10.808 7.107 1.00 0.00 O ATOM 872 ND2 ASN A 59 -10.304 11.292 6.020 1.00 0.00 N ATOM 0 H ASN A 59 -8.979 9.274 4.940 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.019 9.336 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.005 8.505 5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.372 8.436 7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.536 12.285 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.436 10.963 5.596 1.00 0.00 H new ATOM 879 N LYS A 60 -8.744 6.410 6.309 1.00 0.00 N ATOM 880 CA LYS A 60 -8.441 5.000 6.460 1.00 0.00 C ATOM 881 C LYS A 60 -7.254 4.632 5.575 1.00 0.00 C ATOM 882 O LYS A 60 -6.180 4.302 6.076 1.00 0.00 O ATOM 883 CB LYS A 60 -9.694 4.166 6.154 1.00 0.00 C ATOM 884 CG LYS A 60 -10.831 4.488 7.137 1.00 0.00 C ATOM 885 CD LYS A 60 -12.083 3.642 6.867 1.00 0.00 C ATOM 886 CE LYS A 60 -12.903 3.446 8.150 1.00 0.00 C ATOM 887 NZ LYS A 60 -13.265 4.724 8.788 1.00 0.00 N ATOM 0 H LYS A 60 -8.722 6.718 5.337 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.154 4.781 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.025 4.363 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.450 3.105 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.489 4.313 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.085 5.545 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.698 4.128 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.791 2.671 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.811 2.890 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.332 2.841 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.881 4.751 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.869 5.512 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.301 4.813 8.824 1.00 0.00 H new ATOM 901 N ASP A 61 -7.453 4.725 4.259 1.00 0.00 N ATOM 902 CA ASP A 61 -6.525 4.208 3.259 1.00 0.00 C ATOM 903 C ASP A 61 -6.334 5.202 2.114 1.00 0.00 C ATOM 904 O ASP A 61 -5.405 6.000 2.111 1.00 0.00 O ATOM 905 CB ASP A 61 -7.024 2.835 2.764 1.00 0.00 C ATOM 906 CG ASP A 61 -8.545 2.689 2.682 1.00 0.00 C ATOM 907 OD1 ASP A 61 -9.104 3.186 1.680 1.00 0.00 O ATOM 908 OD2 ASP A 61 -9.124 2.120 3.630 1.00 0.00 O ATOM 0 H ASP A 61 -8.277 5.169 3.855 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.543 4.073 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.603 2.647 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.636 2.063 3.429 1.00 0.00 H new ATOM 913 N ASP A 62 -7.211 5.119 1.118 1.00 0.00 N ATOM 914 CA ASP A 62 -7.356 6.086 0.034 1.00 0.00 C ATOM 915 C ASP A 62 -8.457 7.094 0.373 1.00 0.00 C ATOM 916 O ASP A 62 -8.891 7.859 -0.485 1.00 0.00 O ATOM 917 CB ASP A 62 -7.660 5.343 -1.275 1.00 0.00 C ATOM 918 CG ASP A 62 -7.680 6.276 -2.486 1.00 0.00 C ATOM 919 OD1 ASP A 62 -6.734 7.085 -2.602 1.00 0.00 O ATOM 920 OD2 ASP A 62 -8.635 6.151 -3.282 1.00 0.00 O ATOM 0 H ASP A 62 -7.868 4.343 1.041 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.426 6.640 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.911 4.567 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.625 4.843 -1.190 1.00 0.00 H new ATOM 925 N LYS A 63 -8.975 7.055 1.606 1.00 0.00 N ATOM 926 CA LYS A 63 -10.163 7.801 1.974 1.00 0.00 C ATOM 927 C LYS A 63 -9.822 9.280 2.191 1.00 0.00 C ATOM 928 O LYS A 63 -9.828 9.760 3.326 1.00 0.00 O ATOM 929 CB LYS A 63 -10.833 7.172 3.203 1.00 0.00 C ATOM 930 CG LYS A 63 -11.258 5.707 3.029 1.00 0.00 C ATOM 931 CD LYS A 63 -12.261 5.494 1.888 1.00 0.00 C ATOM 932 CE LYS A 63 -12.759 4.044 1.899 1.00 0.00 C ATOM 933 NZ LYS A 63 -13.705 3.795 0.796 1.00 0.00 N ATOM 0 H LYS A 63 -8.577 6.505 2.367 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.882 7.753 1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.146 7.238 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.712 7.762 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.372 5.099 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.698 5.351 3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.102 6.178 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.791 5.719 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.911 3.365 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.243 3.831 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.025 2.806 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.525 4.427 0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.234 3.976 -0.113 1.00 0.00 H new ATOM 947 N CYS A 64 -9.489 9.979 1.103 1.00 0.00 N ATOM 948 CA CYS A 64 -8.963 11.336 1.115 1.00 0.00 C ATOM 949 C CYS A 64 -10.082 12.360 1.241 1.00 0.00 C ATOM 950 O CYS A 64 -10.433 13.033 0.271 1.00 0.00 O ATOM 951 CB CYS A 64 -8.115 11.607 -0.132 1.00 0.00 C ATOM 952 SG CYS A 64 -6.586 10.651 -0.247 1.00 0.00 S ATOM 0 H CYS A 64 -9.583 9.599 0.161 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.320 11.434 1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.720 11.401 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.864 12.667 -0.158 1.00 0.00 H new ATOM 957 N VAL A 65 -10.614 12.487 2.454 1.00 0.00 N ATOM 958 CA VAL A 65 -11.528 13.543 2.869 1.00 0.00 C ATOM 959 C VAL A 65 -10.877 14.166 4.113 1.00 0.00 C ATOM 960 O VAL A 65 -9.942 13.583 4.654 1.00 0.00 O ATOM 961 CB VAL A 65 -12.950 13.002 3.089 1.00 0.00 C ATOM 962 CG1 VAL A 65 -13.561 12.541 1.760 1.00 0.00 C ATOM 963 CG2 VAL A 65 -12.993 11.847 4.089 1.00 0.00 C ATOM 0 H VAL A 65 -10.410 11.828 3.205 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.672 14.309 2.107 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.532 13.825 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -14.568 12.161 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.606 13.383 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.945 11.751 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.021 11.505 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.376 11.026 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.612 12.186 5.052 1.00 0.00 H new ATOM 973 N SER A 66 -11.261 15.357 4.572 1.00 0.00 N ATOM 974 CA SER A 66 -10.548 15.916 5.722 1.00 0.00 C ATOM 975 C SER A 66 -10.802 15.067 6.977 1.00 0.00 C ATOM 976 O SER A 66 -11.827 14.389 7.068 1.00 0.00 O ATOM 977 CB SER A 66 -10.880 17.395 5.932 1.00 0.00 C ATOM 978 OG SER A 66 -9.869 17.971 6.736 1.00 0.00 O ATOM 0 H SER A 66 -12.017 15.927 4.193 1.00 0.00 H new ATOM 0 HA SER A 66 -9.479 15.877 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.941 17.910 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.853 17.501 6.413 1.00 0.00 H new ATOM 0 HG SER A 66 -9.059 18.102 6.200 1.00 0.00 H new ATOM 984 N ALA A 67 -9.891 15.111 7.959 1.00 0.00 N ATOM 985 CA ALA A 67 -10.046 14.363 9.210 1.00 0.00 C ATOM 986 C ALA A 67 -11.318 14.786 9.965 1.00 0.00 C ATOM 987 O ALA A 67 -11.818 14.050 10.816 1.00 0.00 O ATOM 988 CB ALA A 67 -8.781 14.455 10.073 1.00 0.00 C ATOM 0 H ALA A 67 -9.034 15.662 7.908 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.175 13.310 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.927 13.890 10.994 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.935 14.041 9.524 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.581 15.499 10.315 1.00 0.00 H new ATOM 994 N GLU A 68 -11.866 15.956 9.615 1.00 0.00 N ATOM 995 CA GLU A 68 -13.175 16.416 10.050 1.00 0.00 C ATOM 996 C GLU A 68 -14.232 15.327 9.815 1.00 0.00 C ATOM 997 O GLU A 68 -15.114 15.132 10.646 1.00 0.00 O ATOM 998 CB GLU A 68 -13.556 17.682 9.272 1.00 0.00 C ATOM 999 CG GLU A 68 -12.545 18.825 9.450 1.00 0.00 C ATOM 1000 CD GLU A 68 -12.955 20.048 8.636 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -12.983 19.912 7.394 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -13.242 21.087 9.268 1.00 0.00 O ATOM 0 H GLU A 68 -11.392 16.621 9.004 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.135 16.639 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.638 17.439 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.539 18.020 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.475 19.092 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.555 18.492 9.139 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.148 14.618 8.683 1.00 0.00 N ATOM 1010 CA ASP A 69 -15.007 13.469 8.431 1.00 0.00 C ATOM 1011 C ASP A 69 -14.617 12.337 9.377 1.00 0.00 C ATOM 1012 O ASP A 69 -15.460 11.824 10.106 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.889 13.023 6.971 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.806 11.836 6.692 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -15.346 10.692 6.899 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -16.957 12.097 6.280 1.00 0.00 O ATOM 0 H ASP A 69 -13.491 14.825 7.930 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.046 13.744 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.147 13.851 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.857 12.750 6.751 1.00 0.00 H new ATOM 1021 N CYS A 70 -13.335 11.959 9.355 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.768 10.849 10.116 1.00 0.00 C ATOM 1023 C CYS A 70 -13.337 10.776 11.532 1.00 0.00 C ATOM 1024 O CYS A 70 -13.885 9.752 11.924 1.00 0.00 O ATOM 1025 CB CYS A 70 -11.245 10.971 10.178 1.00 0.00 C ATOM 1026 SG CYS A 70 -10.423 9.520 10.844 1.00 0.00 S ATOM 0 H CYS A 70 -12.640 12.439 8.783 1.00 0.00 H new ATOM 0 HA CYS A 70 -13.041 9.930 9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.865 11.163 9.175 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.985 11.836 10.788 1.00 0.00 H new ATOM 1031 N GLU A 71 -13.246 11.877 12.285 1.00 0.00 N ATOM 1032 CA GLU A 71 -13.744 11.922 13.658 1.00 0.00 C ATOM 1033 C GLU A 71 -15.242 11.580 13.762 1.00 0.00 C ATOM 1034 O GLU A 71 -15.663 10.926 14.716 1.00 0.00 O ATOM 1035 CB GLU A 71 -13.393 13.264 14.317 1.00 0.00 C ATOM 1036 CG GLU A 71 -13.978 14.483 13.595 1.00 0.00 C ATOM 1037 CD GLU A 71 -13.554 15.782 14.267 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -14.206 16.139 15.273 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -12.578 16.388 13.774 1.00 0.00 O ATOM 0 H GLU A 71 -12.830 12.751 11.962 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.235 11.138 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.752 13.257 15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.308 13.365 14.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.649 14.485 12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.066 14.415 13.585 1.00 0.00 H new ATOM 1046 N LEU A 72 -16.050 12.011 12.790 1.00 0.00 N ATOM 1047 CA LEU A 72 -17.466 11.664 12.744 1.00 0.00 C ATOM 1048 C LEU A 72 -17.620 10.194 12.357 1.00 0.00 C ATOM 1049 O LEU A 72 -18.439 9.482 12.932 1.00 0.00 O ATOM 1050 CB LEU A 72 -18.222 12.575 11.765 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.104 14.073 12.094 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -18.774 14.888 10.982 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -18.746 14.423 13.441 1.00 0.00 C ATOM 0 H LEU A 72 -15.741 12.605 12.021 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.901 11.815 13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.844 12.403 10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.275 12.295 11.762 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.044 14.316 12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.693 15.951 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.280 14.682 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.826 14.611 10.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.637 15.491 13.629 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.805 14.164 13.418 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.253 13.863 14.235 1.00 0.00 H new ATOM 1065 N ASP A 73 -16.812 9.720 11.404 1.00 0.00 N ATOM 1066 CA ASP A 73 -16.774 8.324 10.977 1.00 0.00 C ATOM 1067 C ASP A 73 -16.017 7.465 11.999 1.00 0.00 C ATOM 1068 O ASP A 73 -15.113 6.704 11.647 1.00 0.00 O ATOM 1069 CB ASP A 73 -16.154 8.261 9.571 1.00 0.00 C ATOM 1070 CG ASP A 73 -16.187 6.865 8.953 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -17.107 6.095 9.306 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -15.299 6.599 8.114 1.00 0.00 O ATOM 0 H ASP A 73 -16.153 10.312 10.899 1.00 0.00 H new ATOM 0 HA ASP A 73 -17.782 7.913 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.686 8.952 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.120 8.603 9.623 1.00 0.00 H new ATOM 1077 N ASN A 74 -16.414 7.578 13.269 1.00 0.00 N ATOM 1078 CA ASN A 74 -15.957 6.820 14.414 1.00 0.00 C ATOM 1079 C ASN A 74 -17.235 6.524 15.189 1.00 0.00 C ATOM 1080 O ASN A 74 -18.177 7.315 15.165 1.00 0.00 O ATOM 1081 CB ASN A 74 -14.915 7.615 15.230 1.00 0.00 C ATOM 1082 CG ASN A 74 -15.342 7.967 16.652 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -15.028 7.248 17.597 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -16.029 9.090 16.822 1.00 0.00 N ATOM 0 H ASN A 74 -17.123 8.262 13.534 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.435 5.901 14.146 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.993 7.035 15.276 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.685 8.537 14.697 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.312 9.378 17.759 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.274 9.665 16.016 1.00 0.00 H new ATOM 1091 N MET A 75 -17.287 5.376 15.848 1.00 0.00 N ATOM 1092 CA MET A 75 -18.448 4.905 16.575 1.00 0.00 C ATOM 1093 C MET A 75 -18.447 5.619 17.921 1.00 0.00 C ATOM 1094 O MET A 75 -18.235 5.003 18.961 1.00 0.00 O ATOM 1095 CB MET A 75 -18.384 3.371 16.670 1.00 0.00 C ATOM 1096 CG MET A 75 -19.586 2.735 17.386 1.00 0.00 C ATOM 1097 SD MET A 75 -21.237 3.234 16.826 1.00 0.00 S ATOM 1098 CE MET A 75 -21.182 2.709 15.098 1.00 0.00 C ATOM 0 H MET A 75 -16.498 4.731 15.891 1.00 0.00 H new ATOM 0 HA MET A 75 -19.392 5.133 16.079 1.00 0.00 H new ATOM 0 HB2 MET A 75 -18.314 2.958 15.664 1.00 0.00 H new ATOM 0 HB3 MET A 75 -17.471 3.088 17.194 1.00 0.00 H new ATOM 0 HG2 MET A 75 -19.507 1.653 17.284 1.00 0.00 H new ATOM 0 HG3 MET A 75 -19.506 2.962 18.449 1.00 0.00 H new ATOM 0 HE1 MET A 75 -22.129 2.948 14.615 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.372 3.228 14.586 1.00 0.00 H new ATOM 0 HE3 MET A 75 -21.011 1.634 15.050 1.00 0.00 H new ATOM 1108 N ASP A 76 -18.645 6.939 17.878 1.00 0.00 N ATOM 1109 CA ASP A 76 -18.661 7.839 19.021 1.00 0.00 C ATOM 1110 C ASP A 76 -17.269 8.033 19.625 1.00 0.00 C ATOM 1111 O ASP A 76 -16.753 9.146 19.581 1.00 0.00 O ATOM 1112 CB ASP A 76 -19.676 7.367 20.064 1.00 0.00 C ATOM 1113 CG ASP A 76 -19.804 8.376 21.200 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -20.589 9.332 21.023 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -19.109 8.175 22.219 1.00 0.00 O ATOM 0 H ASP A 76 -18.806 7.428 16.998 1.00 0.00 H new ATOM 0 HA ASP A 76 -18.977 8.820 18.665 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -20.647 7.222 19.591 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -19.369 6.401 20.464 1.00 0.00 H new ATOM 1120 N PHE A 77 -16.689 6.958 20.166 1.00 0.00 N ATOM 1121 CA PHE A 77 -15.477 6.894 20.977 1.00 0.00 C ATOM 1122 C PHE A 77 -14.599 8.151 21.027 1.00 0.00 C ATOM 1123 O PHE A 77 -14.689 8.903 21.995 1.00 0.00 O ATOM 1124 CB PHE A 77 -14.649 5.654 20.604 1.00 0.00 C ATOM 1125 CG PHE A 77 -15.371 4.335 20.799 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -15.676 3.887 22.097 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -15.705 3.537 19.689 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -16.327 2.655 22.284 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -16.341 2.299 19.876 1.00 0.00 C ATOM 1130 CZ PHE A 77 -16.657 1.858 21.173 1.00 0.00 C ATOM 0 H PHE A 77 -17.094 6.031 20.034 1.00 0.00 H new ATOM 0 HA PHE A 77 -15.851 6.819 21.998 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -14.344 5.736 19.561 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.738 5.647 21.203 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.409 4.491 22.952 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -15.472 3.877 18.691 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -16.574 2.321 23.281 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -16.588 1.685 19.022 1.00 0.00 H new ATOM 0 HZ PHE A 77 -17.152 0.909 21.316 1.00 0.00 H new ATOM 1140 N ILE A 78 -13.711 8.338 20.039 1.00 0.00 N ATOM 1141 CA ILE A 78 -12.634 9.337 20.025 1.00 0.00 C ATOM 1142 C ILE A 78 -11.617 9.091 21.153 1.00 0.00 C ATOM 1143 O ILE A 78 -10.440 8.868 20.882 1.00 0.00 O ATOM 1144 CB ILE A 78 -13.145 10.794 20.004 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -13.985 11.110 18.755 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -11.982 11.793 20.104 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -13.257 10.939 17.417 1.00 0.00 C ATOM 0 H ILE A 78 -13.725 7.772 19.191 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.111 9.202 19.078 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.790 10.899 20.877 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.865 10.466 18.756 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.342 12.137 18.827 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.374 12.810 20.087 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.440 11.629 21.035 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.306 11.650 19.261 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.935 11.186 16.600 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.393 11.603 17.385 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.924 9.906 17.313 1.00 0.00 H new ATOM 1159 N TYR A 79 -12.046 9.144 22.415 1.00 0.00 N ATOM 1160 CA TYR A 79 -11.212 8.826 23.564 1.00 0.00 C ATOM 1161 C TYR A 79 -10.642 7.409 23.426 1.00 0.00 C ATOM 1162 O TYR A 79 -11.335 6.530 22.908 1.00 0.00 O ATOM 1163 CB TYR A 79 -12.048 8.932 24.846 1.00 0.00 C ATOM 1164 CG TYR A 79 -12.667 10.297 25.067 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -11.858 11.375 25.469 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -14.037 10.503 24.822 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -12.411 12.660 25.595 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -14.588 11.790 24.943 1.00 0.00 C ATOM 1169 CZ TYR A 79 -13.773 12.869 25.323 1.00 0.00 C ATOM 1170 OH TYR A 79 -14.300 14.121 25.437 1.00 0.00 O ATOM 0 H TYR A 79 -12.997 9.414 22.666 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.383 9.532 23.613 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.842 8.186 24.813 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.417 8.688 25.700 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.811 11.215 25.681 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.666 9.671 24.541 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.789 13.488 25.901 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.637 11.949 24.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.254 14.096 25.213 1.00 0.00 H new ATOM 1180 N PRO A 80 -9.400 7.167 23.881 1.00 0.00 N ATOM 1181 CA PRO A 80 -8.800 5.842 23.861 1.00 0.00 C ATOM 1182 C PRO A 80 -9.665 4.877 24.670 1.00 0.00 C ATOM 1183 O PRO A 80 -10.127 5.232 25.755 1.00 0.00 O ATOM 1184 CB PRO A 80 -7.400 6.007 24.461 1.00 0.00 C ATOM 1185 CG PRO A 80 -7.532 7.249 25.342 1.00 0.00 C ATOM 1186 CD PRO A 80 -8.533 8.108 24.572 1.00 0.00 C ATOM 0 HA PRO A 80 -8.730 5.426 22.856 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.107 5.132 25.042 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.645 6.143 23.687 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.896 7.000 26.339 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.576 7.758 25.469 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.104 8.745 25.247 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.025 8.765 23.866 1.00 0.00 H new ATOM 1194 N GLY A 81 -9.882 3.665 24.153 1.00 0.00 N ATOM 1195 CA GLY A 81 -10.693 2.636 24.791 1.00 0.00 C ATOM 1196 C GLY A 81 -10.012 2.019 26.019 1.00 0.00 C ATOM 1197 O GLY A 81 -9.823 0.806 26.070 1.00 0.00 O ATOM 0 H GLY A 81 -9.488 3.370 23.260 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.649 3.066 25.089 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.909 1.850 24.068 1.00 0.00 H new ATOM 1201 N THR A 82 -9.690 2.856 27.011 1.00 0.00 N ATOM 1202 CA THR A 82 -9.115 2.555 28.318 1.00 0.00 C ATOM 1203 C THR A 82 -8.163 1.352 28.315 1.00 0.00 C ATOM 1204 O THR A 82 -6.960 1.515 28.127 1.00 0.00 O ATOM 1205 CB THR A 82 -10.242 2.435 29.358 1.00 0.00 C ATOM 1206 OG1 THR A 82 -11.141 1.403 28.998 1.00 0.00 O ATOM 1207 CG2 THR A 82 -11.021 3.751 29.482 1.00 0.00 C ATOM 0 H THR A 82 -9.842 3.859 26.904 1.00 0.00 H new ATOM 0 HA THR A 82 -8.472 3.389 28.600 1.00 0.00 H new ATOM 0 HB THR A 82 -9.779 2.202 30.317 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.210 0.758 29.733 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.811 3.637 30.224 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.344 4.547 29.792 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.462 4.005 28.518 1.00 0.00 H new ATOM 1215 N ARG A 83 -8.715 0.156 28.536 1.00 0.00 N ATOM 1216 CA ARG A 83 -8.018 -1.123 28.517 1.00 0.00 C ATOM 1217 C ARG A 83 -7.078 -1.226 27.310 1.00 0.00 C ATOM 1218 O ARG A 83 -5.925 -1.624 27.460 1.00 0.00 O ATOM 1219 CB ARG A 83 -9.072 -2.242 28.566 1.00 0.00 C ATOM 1220 CG ARG A 83 -8.502 -3.661 28.737 1.00 0.00 C ATOM 1221 CD ARG A 83 -8.295 -4.429 27.423 1.00 0.00 C ATOM 1222 NE ARG A 83 -9.566 -4.640 26.704 1.00 0.00 N ATOM 1223 CZ ARG A 83 -9.994 -3.978 25.616 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -9.227 -3.050 25.040 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -11.204 -4.243 25.114 1.00 0.00 N ATOM 0 H ARG A 83 -9.709 0.054 28.743 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.371 -1.221 29.389 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.758 -2.040 29.389 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.658 -2.210 27.648 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.547 -3.594 29.258 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.174 -4.234 29.376 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.604 -3.878 26.785 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.833 -5.393 27.635 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.184 -5.364 27.071 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.307 -2.838 25.425 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.561 -2.553 24.214 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.797 -4.945 25.557 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.534 -3.743 24.288 1.00 0.00 H new ATOM 1239 N ASN A 84 -7.559 -0.858 26.116 1.00 0.00 N ATOM 1240 CA ASN A 84 -6.759 -0.700 24.901 1.00 0.00 C ATOM 1241 C ASN A 84 -7.679 -0.249 23.761 1.00 0.00 C ATOM 1242 O ASN A 84 -8.813 -0.726 23.691 1.00 0.00 O ATOM 1243 CB ASN A 84 -6.036 -2.005 24.504 1.00 0.00 C ATOM 1244 CG ASN A 84 -4.526 -1.814 24.428 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -3.939 -1.831 23.352 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -3.884 -1.621 25.575 1.00 0.00 N ATOM 0 H ASN A 84 -8.548 -0.656 25.967 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.989 0.047 25.094 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.268 -2.784 25.230 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.408 -2.348 23.539 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.874 -1.481 25.577 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.402 -1.612 26.454 1.00 0.00 H new ATOM 1253 N PRO A 85 -7.227 0.635 22.858 1.00 0.00 N ATOM 1254 CA PRO A 85 -8.023 1.052 21.714 1.00 0.00 C ATOM 1255 C PRO A 85 -8.273 -0.138 20.783 1.00 0.00 C ATOM 1256 O PRO A 85 -7.273 -0.764 20.369 1.00 0.00 O ATOM 1257 CB PRO A 85 -7.211 2.165 21.041 1.00 0.00 C ATOM 1258 CG PRO A 85 -5.766 1.834 21.412 1.00 0.00 C ATOM 1259 CD PRO A 85 -5.905 1.243 22.816 1.00 0.00 C ATOM 1260 OXT PRO A 85 -9.462 -0.409 20.508 1.00 0.00 O ATOM 0 HA PRO A 85 -9.011 1.417 21.996 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.356 2.169 19.961 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.503 3.150 21.406 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.322 1.123 20.716 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.133 2.722 21.407 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.128 0.504 23.008 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.805 2.016 23.578 1.00 0.00 H new TER 1268 PRO A 85