USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 626 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 THR N :NH3+ -170:sc= 0 (180deg=-0.118) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 68:sc= 1.05 USER MOD Single : A 6 HIS : no HE2:sc= -0.938 K(o=-0.94,f=-4.4!) USER MOD Single : A 7 THR OG1 : rot 44:sc= 0.814 USER MOD Single : A 11 THR OG1 : rot -164:sc= 1.76 USER MOD Single : A 12 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.4) USER MOD Single : A 16 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.2) USER MOD Single : A 20 TYR OH : rot -52:sc= 1.05 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -156:sc= -4.11! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -1.77! (180deg=-2.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.73 K(o=-0.73,f=-4.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 54 ASN : amide:sc= -7.12! C(o=-7.1!,f=-7.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 153:sc= -3.52 (180deg=-5.58!) USER MOD Single : A 66 THR OG1 : rot 44:sc= -3.92! USER MOD Single : A 68 SER OG : rot -59:sc= 0.91 USER MOD Single : A 69 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.97! USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 88:sc= 1.71 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -10.590 -15.985 -13.016 1.00 0.00 N ATOM 2 CA THR A 1 -9.402 -15.247 -12.496 1.00 0.00 C ATOM 3 C THR A 1 -9.758 -13.776 -12.256 1.00 0.00 C ATOM 4 O THR A 1 -9.253 -13.146 -11.348 1.00 0.00 O ATOM 5 CB THR A 1 -8.347 -15.370 -13.596 1.00 0.00 C ATOM 6 OG1 THR A 1 -7.861 -16.704 -13.635 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.191 -14.411 -13.305 1.00 0.00 C ATOM 0 H1 THR A 1 -10.392 -17.006 -13.015 1.00 0.00 H new ATOM 0 H2 THR A 1 -11.412 -15.791 -12.409 1.00 0.00 H new ATOM 0 H3 THR A 1 -10.795 -15.673 -13.987 1.00 0.00 H new ATOM 0 HA THR A 1 -9.049 -15.648 -11.546 1.00 0.00 H new ATOM 0 HB THR A 1 -8.792 -15.117 -14.558 1.00 0.00 H new ATOM 0 HG1 THR A 1 -7.186 -16.786 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 1 -6.439 -14.499 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 1 -7.566 -13.388 -13.275 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.743 -14.662 -12.343 1.00 0.00 H new ATOM 17 N MET A 2 -10.625 -13.226 -13.062 1.00 0.00 N ATOM 18 CA MET A 2 -11.010 -11.797 -12.877 1.00 0.00 C ATOM 19 C MET A 2 -11.805 -11.628 -11.579 1.00 0.00 C ATOM 20 O MET A 2 -12.069 -10.526 -11.141 1.00 0.00 O ATOM 21 CB MET A 2 -11.883 -11.464 -14.089 1.00 0.00 C ATOM 22 CG MET A 2 -11.419 -10.142 -14.703 1.00 0.00 C ATOM 23 SD MET A 2 -12.633 -8.850 -14.345 1.00 0.00 S ATOM 24 CE MET A 2 -12.664 -8.104 -15.993 1.00 0.00 C ATOM 0 H MET A 2 -11.083 -13.703 -13.839 1.00 0.00 H new ATOM 0 HA MET A 2 -10.143 -11.140 -12.806 1.00 0.00 H new ATOM 0 HB2 MET A 2 -11.819 -12.263 -14.828 1.00 0.00 H new ATOM 0 HB3 MET A 2 -12.928 -11.391 -13.789 1.00 0.00 H new ATOM 0 HG2 MET A 2 -10.446 -9.863 -14.299 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.297 -10.252 -15.781 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.363 -7.268 -16.001 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.667 -7.746 -16.249 1.00 0.00 H new ATOM 0 HE3 MET A 2 -12.981 -8.848 -16.723 1.00 0.00 H new ATOM 34 N SER A 3 -12.186 -12.712 -10.961 1.00 0.00 N ATOM 35 CA SER A 3 -12.962 -12.611 -9.692 1.00 0.00 C ATOM 36 C SER A 3 -12.023 -12.706 -8.487 1.00 0.00 C ATOM 37 O SER A 3 -12.289 -13.409 -7.532 1.00 0.00 O ATOM 38 CB SER A 3 -13.921 -13.802 -9.718 1.00 0.00 C ATOM 39 OG SER A 3 -15.228 -13.345 -10.036 1.00 0.00 O ATOM 0 H SER A 3 -11.994 -13.662 -11.279 1.00 0.00 H new ATOM 0 HA SER A 3 -13.491 -11.662 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.590 -14.534 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.924 -14.303 -8.750 1.00 0.00 H new ATOM 0 HG SER A 3 -15.845 -14.106 -10.055 1.00 0.00 H new ATOM 45 N SER A 4 -10.924 -12.001 -8.524 1.00 0.00 N ATOM 46 CA SER A 4 -9.968 -12.051 -7.381 1.00 0.00 C ATOM 47 C SER A 4 -9.396 -10.657 -7.110 1.00 0.00 C ATOM 48 O SER A 4 -8.239 -10.505 -6.772 1.00 0.00 O ATOM 49 CB SER A 4 -8.863 -13.006 -7.830 1.00 0.00 C ATOM 50 OG SER A 4 -7.847 -12.269 -8.494 1.00 0.00 O ATOM 0 H SER A 4 -10.648 -11.394 -9.295 1.00 0.00 H new ATOM 0 HA SER A 4 -10.444 -12.384 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.446 -13.528 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.272 -13.766 -8.496 1.00 0.00 H new ATOM 0 HG SER A 4 -7.392 -11.686 -7.851 1.00 0.00 H new ATOM 56 N GLU A 5 -10.198 -9.638 -7.255 1.00 0.00 N ATOM 57 CA GLU A 5 -9.702 -8.255 -7.006 1.00 0.00 C ATOM 58 C GLU A 5 -9.061 -8.165 -5.618 1.00 0.00 C ATOM 59 O GLU A 5 -8.199 -7.345 -5.374 1.00 0.00 O ATOM 60 CB GLU A 5 -10.945 -7.367 -7.082 1.00 0.00 C ATOM 61 CG GLU A 5 -12.026 -7.922 -6.153 1.00 0.00 C ATOM 62 CD GLU A 5 -13.386 -7.847 -6.850 1.00 0.00 C ATOM 63 OE1 GLU A 5 -13.733 -6.773 -7.313 1.00 0.00 O ATOM 64 OE2 GLU A 5 -14.058 -8.864 -6.909 1.00 0.00 O ATOM 0 H GLU A 5 -11.176 -9.704 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.942 -7.953 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.694 -6.346 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.315 -7.329 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.798 -8.954 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.050 -7.352 -5.224 1.00 0.00 H new ATOM 71 N HIS A 6 -9.478 -9.000 -4.707 1.00 0.00 N ATOM 72 CA HIS A 6 -8.893 -8.960 -3.335 1.00 0.00 C ATOM 73 C HIS A 6 -9.197 -7.614 -2.670 1.00 0.00 C ATOM 74 O HIS A 6 -8.582 -7.244 -1.692 1.00 0.00 O ATOM 75 CB HIS A 6 -7.387 -9.128 -3.542 1.00 0.00 C ATOM 76 CG HIS A 6 -6.943 -10.436 -2.950 1.00 0.00 C ATOM 77 ND1 HIS A 6 -7.141 -11.645 -3.596 1.00 0.00 N ATOM 78 CD2 HIS A 6 -6.308 -10.741 -1.771 1.00 0.00 C ATOM 79 CE1 HIS A 6 -6.634 -12.614 -2.811 1.00 0.00 C ATOM 80 NE2 HIS A 6 -6.114 -12.116 -1.684 1.00 0.00 N ATOM 0 H HIS A 6 -10.198 -9.708 -4.852 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.304 -9.734 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.150 -9.099 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.850 -8.303 -3.073 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.590 -11.777 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.005 -10.022 -1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.646 -13.665 -3.061 1.00 0.00 H new ATOM 88 N THR A 7 -10.140 -6.883 -3.197 1.00 0.00 N ATOM 89 CA THR A 7 -10.484 -5.561 -2.598 1.00 0.00 C ATOM 90 C THR A 7 -11.502 -5.741 -1.468 1.00 0.00 C ATOM 91 O THR A 7 -12.383 -6.575 -1.540 1.00 0.00 O ATOM 92 CB THR A 7 -11.093 -4.755 -3.745 1.00 0.00 C ATOM 93 OG1 THR A 7 -11.241 -3.399 -3.342 1.00 0.00 O ATOM 94 CG2 THR A 7 -12.462 -5.332 -4.108 1.00 0.00 C ATOM 0 H THR A 7 -10.688 -7.143 -4.017 1.00 0.00 H new ATOM 0 HA THR A 7 -9.616 -5.064 -2.166 1.00 0.00 H new ATOM 0 HB THR A 7 -10.437 -4.808 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.430 -3.106 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.894 -4.756 -4.926 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.349 -6.371 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.120 -5.281 -3.241 1.00 0.00 H new ATOM 102 N CYS A 8 -11.387 -4.964 -0.425 1.00 0.00 N ATOM 103 CA CYS A 8 -12.346 -5.089 0.710 1.00 0.00 C ATOM 104 C CYS A 8 -13.771 -5.278 0.186 1.00 0.00 C ATOM 105 O CYS A 8 -14.042 -5.101 -0.985 1.00 0.00 O ATOM 106 CB CYS A 8 -12.234 -3.770 1.482 1.00 0.00 C ATOM 107 SG CYS A 8 -12.118 -2.386 0.319 1.00 0.00 S ATOM 0 H CYS A 8 -10.670 -4.248 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.120 -5.950 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -13.102 -3.642 2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.356 -3.789 2.127 1.00 0.00 H new ATOM 112 N ILE A 9 -14.686 -5.626 1.048 1.00 0.00 N ATOM 113 CA ILE A 9 -16.096 -5.816 0.602 1.00 0.00 C ATOM 114 C ILE A 9 -16.799 -4.462 0.530 1.00 0.00 C ATOM 115 O ILE A 9 -17.955 -4.331 0.881 1.00 0.00 O ATOM 116 CB ILE A 9 -16.736 -6.699 1.675 1.00 0.00 C ATOM 117 CG1 ILE A 9 -18.105 -7.178 1.185 1.00 0.00 C ATOM 118 CG2 ILE A 9 -16.911 -5.894 2.962 1.00 0.00 C ATOM 119 CD1 ILE A 9 -17.921 -8.102 -0.021 1.00 0.00 C ATOM 0 H ILE A 9 -14.519 -5.787 2.041 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.166 -6.269 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.095 -7.558 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.625 -7.705 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.724 -6.324 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.367 -6.524 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.938 -5.548 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.553 -5.035 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.896 -8.443 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.418 -7.559 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.318 -8.962 0.269 1.00 0.00 H new ATOM 131 N ASP A 10 -16.101 -3.452 0.083 1.00 0.00 N ATOM 132 CA ASP A 10 -16.708 -2.092 -0.013 1.00 0.00 C ATOM 133 C ASP A 10 -16.752 -1.443 1.373 1.00 0.00 C ATOM 134 O ASP A 10 -17.756 -0.899 1.785 1.00 0.00 O ATOM 135 CB ASP A 10 -18.124 -2.310 -0.553 1.00 0.00 C ATOM 136 CG ASP A 10 -18.581 -1.058 -1.306 1.00 0.00 C ATOM 137 OD1 ASP A 10 -18.002 -0.010 -1.079 1.00 0.00 O ATOM 138 OD2 ASP A 10 -19.504 -1.172 -2.095 1.00 0.00 O ATOM 0 H ASP A 10 -15.129 -3.511 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.133 -1.430 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.142 -3.174 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.809 -2.524 0.268 1.00 0.00 H new ATOM 143 N THR A 11 -15.664 -1.501 2.092 1.00 0.00 N ATOM 144 CA THR A 11 -15.632 -0.890 3.452 1.00 0.00 C ATOM 145 C THR A 11 -15.722 0.633 3.345 1.00 0.00 C ATOM 146 O THR A 11 -15.951 1.177 2.283 1.00 0.00 O ATOM 147 CB THR A 11 -14.283 -1.302 4.039 1.00 0.00 C ATOM 148 OG1 THR A 11 -14.295 -1.087 5.445 1.00 0.00 O ATOM 149 CG2 THR A 11 -13.170 -0.465 3.402 1.00 0.00 C ATOM 0 H THR A 11 -14.795 -1.946 1.796 1.00 0.00 H new ATOM 0 HA THR A 11 -16.466 -1.219 4.073 1.00 0.00 H new ATOM 0 HB THR A 11 -14.103 -2.357 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.376 -1.103 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.208 -0.759 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.162 -0.630 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.347 0.591 3.606 1.00 0.00 H new ATOM 157 N ASN A 12 -15.527 1.329 4.431 1.00 0.00 N ATOM 158 CA ASN A 12 -15.586 2.813 4.374 1.00 0.00 C ATOM 159 C ASN A 12 -14.312 3.339 3.714 1.00 0.00 C ATOM 160 O ASN A 12 -13.235 3.261 4.269 1.00 0.00 O ATOM 161 CB ASN A 12 -15.668 3.267 5.833 1.00 0.00 C ATOM 162 CG ASN A 12 -16.476 4.562 5.921 1.00 0.00 C ATOM 163 OD1 ASN A 12 -17.558 4.654 5.376 1.00 0.00 O ATOM 164 ND2 ASN A 12 -15.994 5.573 6.589 1.00 0.00 N ATOM 0 H ASN A 12 -15.330 0.935 5.351 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.433 3.182 3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -16.136 2.492 6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.666 3.423 6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.525 6.441 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.086 5.496 7.046 1.00 0.00 H new ATOM 171 N VAL A 13 -14.427 3.866 2.528 1.00 0.00 N ATOM 172 CA VAL A 13 -13.219 4.384 1.828 1.00 0.00 C ATOM 173 C VAL A 13 -13.520 5.737 1.179 1.00 0.00 C ATOM 174 O VAL A 13 -14.195 5.807 0.170 1.00 0.00 O ATOM 175 CB VAL A 13 -12.906 3.334 0.762 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.708 3.791 -0.071 1.00 0.00 C ATOM 177 CG2 VAL A 13 -12.578 2.004 1.443 1.00 0.00 C ATOM 0 H VAL A 13 -15.303 3.961 2.014 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.381 4.541 2.507 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.771 3.207 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.486 3.041 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.942 4.740 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.841 3.918 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.354 1.253 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.713 2.132 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.433 1.678 2.036 1.00 0.00 H new ATOM 187 N PRO A 14 -13.005 6.772 1.784 1.00 0.00 N ATOM 188 CA PRO A 14 -13.216 8.144 1.260 1.00 0.00 C ATOM 189 C PRO A 14 -12.736 8.237 -0.190 1.00 0.00 C ATOM 190 O PRO A 14 -11.911 7.463 -0.632 1.00 0.00 O ATOM 191 CB PRO A 14 -12.364 9.026 2.173 1.00 0.00 C ATOM 192 CG PRO A 14 -12.109 8.208 3.400 1.00 0.00 C ATOM 193 CD PRO A 14 -12.184 6.760 2.997 1.00 0.00 C ATOM 0 HA PRO A 14 -14.265 8.441 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.429 9.305 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.884 9.952 2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.130 8.440 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.847 8.431 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.194 6.347 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.637 6.151 3.779 1.00 0.00 H new ATOM 201 N ASP A 15 -13.247 9.180 -0.935 1.00 0.00 N ATOM 202 CA ASP A 15 -12.819 9.321 -2.356 1.00 0.00 C ATOM 203 C ASP A 15 -11.312 9.579 -2.432 1.00 0.00 C ATOM 204 O ASP A 15 -10.689 9.963 -1.460 1.00 0.00 O ATOM 205 CB ASP A 15 -13.597 10.526 -2.885 1.00 0.00 C ATOM 206 CG ASP A 15 -15.098 10.287 -2.701 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.452 9.230 -2.206 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.865 11.164 -3.059 1.00 0.00 O ATOM 0 H ASP A 15 -13.942 9.858 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.016 8.421 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.294 11.429 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.370 10.684 -3.939 1.00 0.00 H new ATOM 213 N ASN A 16 -10.723 9.372 -3.577 1.00 0.00 N ATOM 214 CA ASN A 16 -9.256 9.607 -3.715 1.00 0.00 C ATOM 215 C ASN A 16 -8.478 8.654 -2.804 1.00 0.00 C ATOM 216 O ASN A 16 -7.494 9.028 -2.195 1.00 0.00 O ATOM 217 CB ASN A 16 -9.045 11.058 -3.281 1.00 0.00 C ATOM 218 CG ASN A 16 -10.114 11.944 -3.920 1.00 0.00 C ATOM 219 OD1 ASN A 16 -10.544 11.696 -5.030 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.567 12.977 -3.262 1.00 0.00 N ATOM 0 H ASN A 16 -11.193 9.050 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.903 9.430 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.096 11.135 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.052 11.396 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.281 13.575 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.207 13.186 -2.331 1.00 0.00 H new ATOM 227 N ALA A 17 -8.908 7.426 -2.703 1.00 0.00 N ATOM 228 CA ALA A 17 -8.189 6.454 -1.832 1.00 0.00 C ATOM 229 C ALA A 17 -8.249 5.051 -2.438 1.00 0.00 C ATOM 230 O ALA A 17 -9.011 4.787 -3.347 1.00 0.00 O ATOM 231 CB ALA A 17 -8.931 6.488 -0.495 1.00 0.00 C ATOM 0 H ALA A 17 -9.726 7.054 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.135 6.708 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.458 5.795 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.894 7.497 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.970 6.196 -0.648 1.00 0.00 H new ATOM 237 N ALA A 18 -7.455 4.147 -1.935 1.00 0.00 N ATOM 238 CA ALA A 18 -7.467 2.759 -2.472 1.00 0.00 C ATOM 239 C ALA A 18 -7.720 1.765 -1.337 1.00 0.00 C ATOM 240 O ALA A 18 -7.128 1.854 -0.281 1.00 0.00 O ATOM 241 CB ALA A 18 -6.073 2.552 -3.068 1.00 0.00 C ATOM 0 H ALA A 18 -6.797 4.311 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.251 2.606 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.001 1.548 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.901 3.286 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.322 2.674 -2.288 1.00 0.00 H new ATOM 247 N CYS A 19 -8.596 0.823 -1.539 1.00 0.00 N ATOM 248 CA CYS A 19 -8.881 -0.166 -0.462 1.00 0.00 C ATOM 249 C CYS A 19 -8.633 -1.586 -0.970 1.00 0.00 C ATOM 250 O CYS A 19 -9.169 -1.997 -1.981 1.00 0.00 O ATOM 251 CB CYS A 19 -10.355 0.035 -0.119 1.00 0.00 C ATOM 252 SG CYS A 19 -10.827 -1.108 1.203 1.00 0.00 S ATOM 0 H CYS A 19 -9.126 0.694 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.240 -0.026 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.529 1.064 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.972 -0.137 -1.001 1.00 0.00 H new ATOM 257 N TYR A 20 -7.824 -2.339 -0.279 1.00 0.00 N ATOM 258 CA TYR A 20 -7.542 -3.734 -0.727 1.00 0.00 C ATOM 259 C TYR A 20 -7.610 -4.702 0.459 1.00 0.00 C ATOM 260 O TYR A 20 -7.160 -4.401 1.546 1.00 0.00 O ATOM 261 CB TYR A 20 -6.125 -3.686 -1.299 1.00 0.00 C ATOM 262 CG TYR A 20 -6.017 -4.655 -2.452 1.00 0.00 C ATOM 263 CD1 TYR A 20 -6.689 -4.393 -3.652 1.00 0.00 C ATOM 264 CD2 TYR A 20 -5.244 -5.815 -2.321 1.00 0.00 C ATOM 265 CE1 TYR A 20 -6.588 -5.291 -4.721 1.00 0.00 C ATOM 266 CE2 TYR A 20 -5.144 -6.713 -3.391 1.00 0.00 C ATOM 267 CZ TYR A 20 -5.816 -6.452 -4.590 1.00 0.00 C ATOM 268 OH TYR A 20 -5.718 -7.337 -5.644 1.00 0.00 O ATOM 0 H TYR A 20 -7.346 -2.051 0.575 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.268 -4.085 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.891 -2.676 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.400 -3.941 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.285 -3.498 -3.753 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.725 -6.017 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.106 -5.088 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.548 -7.608 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.616 -7.567 -5.963 1.00 0.00 H new ATOM 278 N ARG A 21 -8.168 -5.864 0.253 1.00 0.00 N ATOM 279 CA ARG A 21 -8.264 -6.857 1.361 1.00 0.00 C ATOM 280 C ARG A 21 -7.081 -7.827 1.298 1.00 0.00 C ATOM 281 O ARG A 21 -6.858 -8.481 0.300 1.00 0.00 O ATOM 282 CB ARG A 21 -9.575 -7.601 1.111 1.00 0.00 C ATOM 283 CG ARG A 21 -10.385 -7.666 2.407 1.00 0.00 C ATOM 284 CD ARG A 21 -11.817 -8.107 2.095 1.00 0.00 C ATOM 285 NE ARG A 21 -11.832 -9.574 2.359 1.00 0.00 N ATOM 286 CZ ARG A 21 -11.481 -10.416 1.425 1.00 0.00 C ATOM 287 NH1 ARG A 21 -11.112 -9.981 0.249 1.00 0.00 N ATOM 288 NH2 ARG A 21 -11.497 -11.699 1.666 1.00 0.00 N ATOM 0 H ARG A 21 -8.562 -6.169 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.242 -6.386 2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.150 -7.094 0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.370 -8.608 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.922 -8.365 3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.392 -6.690 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.537 -7.585 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.081 -7.889 1.060 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.118 -9.922 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.097 -8.979 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.839 -10.643 -0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.783 -12.042 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.223 -12.358 0.937 1.00 0.00 H new ATOM 302 N TYR A 22 -6.323 -7.928 2.356 1.00 0.00 N ATOM 303 CA TYR A 22 -5.159 -8.859 2.344 1.00 0.00 C ATOM 304 C TYR A 22 -5.631 -10.288 2.053 1.00 0.00 C ATOM 305 O TYR A 22 -6.796 -10.528 1.805 1.00 0.00 O ATOM 306 CB TYR A 22 -4.558 -8.765 3.748 1.00 0.00 C ATOM 307 CG TYR A 22 -3.065 -8.560 3.648 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.364 -9.031 2.531 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.381 -7.898 4.673 1.00 0.00 C ATOM 310 CE1 TYR A 22 -0.979 -8.839 2.441 1.00 0.00 C ATOM 311 CE2 TYR A 22 -0.997 -7.706 4.584 1.00 0.00 C ATOM 312 CZ TYR A 22 -0.297 -8.176 3.466 1.00 0.00 C ATOM 313 OH TYR A 22 1.068 -7.987 3.377 1.00 0.00 O ATOM 0 H TYR A 22 -6.458 -7.409 3.224 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.431 -8.601 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.013 -7.939 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.773 -9.675 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.891 -9.542 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.921 -7.534 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.438 -9.203 1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.470 -7.196 5.377 1.00 0.00 H new ATOM 0 HH TYR A 22 1.384 -7.509 4.172 1.00 0.00 H new ATOM 323 N LEU A 23 -4.737 -11.237 2.079 1.00 0.00 N ATOM 324 CA LEU A 23 -5.137 -12.646 1.798 1.00 0.00 C ATOM 325 C LEU A 23 -5.897 -13.234 2.990 1.00 0.00 C ATOM 326 O LEU A 23 -6.683 -14.149 2.844 1.00 0.00 O ATOM 327 CB LEU A 23 -3.822 -13.397 1.579 1.00 0.00 C ATOM 328 CG LEU A 23 -3.631 -13.667 0.087 1.00 0.00 C ATOM 329 CD1 LEU A 23 -2.647 -12.651 -0.496 1.00 0.00 C ATOM 330 CD2 LEU A 23 -3.079 -15.081 -0.108 1.00 0.00 C ATOM 0 H LEU A 23 -3.747 -11.099 2.282 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.798 -12.719 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.988 -12.810 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.831 -14.337 2.131 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.590 -13.576 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.512 -12.845 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.040 -11.644 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.688 -12.740 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.942 -15.275 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.121 -15.171 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.780 -15.806 0.306 1.00 0.00 H new ATOM 342 N ASP A 24 -5.671 -12.717 4.165 1.00 0.00 N ATOM 343 CA ASP A 24 -6.383 -13.251 5.361 1.00 0.00 C ATOM 344 C ASP A 24 -7.816 -12.712 5.409 1.00 0.00 C ATOM 345 O ASP A 24 -8.528 -12.903 6.376 1.00 0.00 O ATOM 346 CB ASP A 24 -5.579 -12.742 6.558 1.00 0.00 C ATOM 347 CG ASP A 24 -4.092 -13.012 6.327 1.00 0.00 C ATOM 348 OD1 ASP A 24 -3.701 -14.166 6.395 1.00 0.00 O ATOM 349 OD2 ASP A 24 -3.369 -12.059 6.084 1.00 0.00 O ATOM 0 H ASP A 24 -5.025 -11.949 4.350 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.454 -14.339 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.748 -11.674 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.912 -13.237 7.470 1.00 0.00 H new ATOM 354 N GLY A 25 -8.245 -12.037 4.378 1.00 0.00 N ATOM 355 CA GLY A 25 -9.631 -11.487 4.375 1.00 0.00 C ATOM 356 C GLY A 25 -9.655 -10.184 5.173 1.00 0.00 C ATOM 357 O GLY A 25 -10.696 -9.590 5.380 1.00 0.00 O ATOM 0 H GLY A 25 -7.698 -11.843 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.962 -11.307 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.322 -12.208 4.812 1.00 0.00 H new ATOM 361 N THR A 26 -8.518 -9.738 5.627 1.00 0.00 N ATOM 362 CA THR A 26 -8.469 -8.474 6.418 1.00 0.00 C ATOM 363 C THR A 26 -8.849 -7.280 5.539 1.00 0.00 C ATOM 364 O THR A 26 -8.653 -7.292 4.339 1.00 0.00 O ATOM 365 CB THR A 26 -7.018 -8.357 6.882 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.152 -8.705 5.810 1.00 0.00 O ATOM 367 CG2 THR A 26 -6.780 -9.301 8.062 1.00 0.00 C ATOM 0 H THR A 26 -7.617 -10.194 5.485 1.00 0.00 H new ATOM 0 HA THR A 26 -9.168 -8.484 7.255 1.00 0.00 H new ATOM 0 HB THR A 26 -6.816 -7.333 7.195 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.290 -9.001 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.745 -9.217 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.446 -9.033 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.980 -10.327 7.753 1.00 0.00 H new ATOM 375 N GLU A 27 -9.390 -6.248 6.126 1.00 0.00 N ATOM 376 CA GLU A 27 -9.782 -5.054 5.327 1.00 0.00 C ATOM 377 C GLU A 27 -8.937 -3.843 5.735 1.00 0.00 C ATOM 378 O GLU A 27 -8.781 -3.549 6.903 1.00 0.00 O ATOM 379 CB GLU A 27 -11.255 -4.820 5.664 1.00 0.00 C ATOM 380 CG GLU A 27 -12.119 -5.828 4.904 1.00 0.00 C ATOM 381 CD GLU A 27 -13.463 -5.985 5.616 1.00 0.00 C ATOM 382 OE1 GLU A 27 -14.308 -5.122 5.442 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.626 -6.967 6.320 1.00 0.00 O ATOM 0 H GLU A 27 -9.578 -6.181 7.126 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.627 -5.202 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.415 -4.925 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.543 -3.803 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.275 -5.490 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.610 -6.790 4.848 1.00 0.00 H new ATOM 390 N GLU A 28 -8.389 -3.141 4.780 1.00 0.00 N ATOM 391 CA GLU A 28 -7.554 -1.951 5.116 1.00 0.00 C ATOM 392 C GLU A 28 -7.800 -0.830 4.100 1.00 0.00 C ATOM 393 O GLU A 28 -8.094 -1.077 2.949 1.00 0.00 O ATOM 394 CB GLU A 28 -6.109 -2.444 5.029 1.00 0.00 C ATOM 395 CG GLU A 28 -5.161 -1.332 5.477 1.00 0.00 C ATOM 396 CD GLU A 28 -5.147 -1.255 7.005 1.00 0.00 C ATOM 397 OE1 GLU A 28 -5.976 -0.545 7.551 1.00 0.00 O ATOM 398 OE2 GLU A 28 -4.309 -1.909 7.602 1.00 0.00 O ATOM 0 H GLU A 28 -8.483 -3.339 3.784 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.788 -1.546 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.976 -3.325 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.877 -2.744 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.155 -1.525 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.479 -0.378 5.057 1.00 0.00 H new ATOM 405 N TRP A 29 -7.681 0.399 4.521 1.00 0.00 N ATOM 406 CA TRP A 29 -7.908 1.536 3.580 1.00 0.00 C ATOM 407 C TRP A 29 -6.568 2.169 3.193 1.00 0.00 C ATOM 408 O TRP A 29 -5.756 2.488 4.038 1.00 0.00 O ATOM 409 CB TRP A 29 -8.771 2.546 4.348 1.00 0.00 C ATOM 410 CG TRP A 29 -9.344 1.909 5.576 1.00 0.00 C ATOM 411 CD1 TRP A 29 -9.270 2.426 6.823 1.00 0.00 C ATOM 412 CD2 TRP A 29 -10.073 0.652 5.695 1.00 0.00 C ATOM 413 NE1 TRP A 29 -9.907 1.567 7.700 1.00 0.00 N ATOM 414 CE2 TRP A 29 -10.418 0.460 7.053 1.00 0.00 C ATOM 415 CE3 TRP A 29 -10.464 -0.328 4.765 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -11.125 -0.666 7.475 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -11.176 -1.463 5.188 1.00 0.00 C ATOM 418 CH2 TRP A 29 -11.506 -1.631 6.539 1.00 0.00 C ATOM 0 H TRP A 29 -7.437 0.667 5.474 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.395 1.211 2.660 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.170 3.412 4.625 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.576 2.908 3.708 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.792 3.357 7.090 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.989 1.732 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.216 -0.208 3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.376 -0.791 8.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.471 -2.211 4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.054 -2.505 6.857 1.00 0.00 H new ATOM 429 N ARG A 30 -6.330 2.352 1.924 1.00 0.00 N ATOM 430 CA ARG A 30 -5.038 2.965 1.493 1.00 0.00 C ATOM 431 C ARG A 30 -5.288 4.335 0.856 1.00 0.00 C ATOM 432 O ARG A 30 -6.332 4.588 0.289 1.00 0.00 O ATOM 433 CB ARG A 30 -4.454 1.990 0.470 1.00 0.00 C ATOM 434 CG ARG A 30 -4.344 0.598 1.096 1.00 0.00 C ATOM 435 CD ARG A 30 -5.601 -0.212 0.772 1.00 0.00 C ATOM 436 NE ARG A 30 -5.431 -1.495 1.508 1.00 0.00 N ATOM 437 CZ ARG A 30 -4.630 -2.415 1.044 1.00 0.00 C ATOM 438 NH1 ARG A 30 -3.975 -2.214 -0.068 1.00 0.00 N ATOM 439 NH2 ARG A 30 -4.484 -3.539 1.692 1.00 0.00 N ATOM 0 H ARG A 30 -6.969 2.106 1.168 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.359 3.126 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.088 1.953 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.472 2.333 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.461 0.086 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.222 0.683 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.502 0.311 1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.696 -0.382 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.941 -1.655 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.089 -1.337 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.349 -2.934 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.996 -3.697 2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.858 -4.259 1.330 1.00 0.00 H new ATOM 453 N CYS A 31 -4.334 5.221 0.946 1.00 0.00 N ATOM 454 CA CYS A 31 -4.511 6.577 0.349 1.00 0.00 C ATOM 455 C CYS A 31 -3.641 6.718 -0.903 1.00 0.00 C ATOM 456 O CYS A 31 -2.532 6.227 -0.959 1.00 0.00 O ATOM 457 CB CYS A 31 -4.049 7.549 1.437 1.00 0.00 C ATOM 458 SG CYS A 31 -5.313 8.820 1.708 1.00 0.00 S ATOM 0 H CYS A 31 -3.438 5.065 1.408 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.540 6.766 0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.861 7.008 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.109 8.016 1.144 1.00 0.00 H new ATOM 463 N LEU A 32 -4.139 7.383 -1.910 1.00 0.00 N ATOM 464 CA LEU A 32 -3.343 7.553 -3.158 1.00 0.00 C ATOM 465 C LEU A 32 -2.064 8.344 -2.871 1.00 0.00 C ATOM 466 O LEU A 32 -1.891 8.900 -1.804 1.00 0.00 O ATOM 467 CB LEU A 32 -4.254 8.333 -4.106 1.00 0.00 C ATOM 468 CG LEU A 32 -5.575 7.582 -4.282 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.408 8.260 -5.372 1.00 0.00 C ATOM 470 CD2 LEU A 32 -5.288 6.135 -4.689 1.00 0.00 C ATOM 0 H LEU A 32 -5.063 7.816 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.034 6.597 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.441 9.330 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.766 8.462 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.127 7.595 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.349 7.724 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.613 9.291 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.856 8.248 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.229 5.599 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.736 6.124 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.695 5.650 -3.914 1.00 0.00 H new ATOM 482 N LEU A 33 -1.164 8.396 -3.815 1.00 0.00 N ATOM 483 CA LEU A 33 0.105 9.149 -3.596 1.00 0.00 C ATOM 484 C LEU A 33 -0.200 10.588 -3.173 1.00 0.00 C ATOM 485 O LEU A 33 0.232 11.044 -2.132 1.00 0.00 O ATOM 486 CB LEU A 33 0.813 9.128 -4.952 1.00 0.00 C ATOM 487 CG LEU A 33 2.313 8.917 -4.742 1.00 0.00 C ATOM 488 CD1 LEU A 33 2.825 9.900 -3.687 1.00 0.00 C ATOM 489 CD2 LEU A 33 2.563 7.483 -4.267 1.00 0.00 C ATOM 0 H LEU A 33 -1.252 7.950 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 33 0.717 8.710 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.407 8.330 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.637 10.065 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 33 2.839 9.087 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.894 9.749 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.646 10.921 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.300 9.731 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.632 7.331 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.037 7.314 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.199 6.782 -5.018 1.00 0.00 H new ATOM 501 N THR A 34 -0.939 11.307 -3.972 1.00 0.00 N ATOM 502 CA THR A 34 -1.270 12.718 -3.614 1.00 0.00 C ATOM 503 C THR A 34 -2.171 12.753 -2.377 1.00 0.00 C ATOM 504 O THR A 34 -2.430 13.799 -1.815 1.00 0.00 O ATOM 505 CB THR A 34 -2.008 13.272 -4.834 1.00 0.00 C ATOM 506 OG1 THR A 34 -2.496 12.193 -5.619 1.00 0.00 O ATOM 507 CG2 THR A 34 -1.052 14.123 -5.668 1.00 0.00 C ATOM 0 H THR A 34 -1.328 10.980 -4.856 1.00 0.00 H new ATOM 0 HA THR A 34 -0.382 13.303 -3.374 1.00 0.00 H new ATOM 0 HB THR A 34 -2.844 13.889 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.971 12.546 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.579 14.517 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.680 14.950 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.214 13.510 -5.999 1.00 0.00 H new ATOM 515 N PHE A 35 -2.653 11.619 -1.949 1.00 0.00 N ATOM 516 CA PHE A 35 -3.537 11.592 -0.748 1.00 0.00 C ATOM 517 C PHE A 35 -2.781 11.021 0.456 1.00 0.00 C ATOM 518 O PHE A 35 -1.945 10.150 0.321 1.00 0.00 O ATOM 519 CB PHE A 35 -4.701 10.677 -1.131 1.00 0.00 C ATOM 520 CG PHE A 35 -6.001 11.439 -1.016 1.00 0.00 C ATOM 521 CD1 PHE A 35 -6.196 12.599 -1.775 1.00 0.00 C ATOM 522 CD2 PHE A 35 -7.011 10.986 -0.156 1.00 0.00 C ATOM 523 CE1 PHE A 35 -7.400 13.308 -1.674 1.00 0.00 C ATOM 524 CE2 PHE A 35 -8.215 11.695 -0.056 1.00 0.00 C ATOM 525 CZ PHE A 35 -8.408 12.856 -0.816 1.00 0.00 C ATOM 0 H PHE A 35 -2.474 10.711 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.877 12.588 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.570 10.312 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.720 9.804 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.418 12.947 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.861 10.091 0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.550 14.204 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.994 11.347 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.336 13.403 -0.739 1.00 0.00 H new ATOM 535 N LYS A 36 -3.073 11.506 1.631 1.00 0.00 N ATOM 536 CA LYS A 36 -2.380 10.992 2.846 1.00 0.00 C ATOM 537 C LYS A 36 -3.416 10.505 3.862 1.00 0.00 C ATOM 538 O LYS A 36 -4.346 11.211 4.199 1.00 0.00 O ATOM 539 CB LYS A 36 -1.604 12.188 3.400 1.00 0.00 C ATOM 540 CG LYS A 36 -2.586 13.283 3.826 1.00 0.00 C ATOM 541 CD LYS A 36 -2.593 13.396 5.352 1.00 0.00 C ATOM 542 CE LYS A 36 -1.206 13.822 5.838 1.00 0.00 C ATOM 543 NZ LYS A 36 -1.100 13.274 7.220 1.00 0.00 N ATOM 0 H LYS A 36 -3.763 12.237 1.803 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.721 10.152 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.997 11.878 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.920 12.573 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.300 14.236 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.587 13.050 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.341 14.123 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.868 12.440 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.422 13.424 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.102 14.907 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.458 13.870 7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.041 13.265 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.727 12.304 7.181 1.00 0.00 H new ATOM 557 N GLU A 37 -3.275 9.301 4.342 1.00 0.00 N ATOM 558 CA GLU A 37 -4.266 8.780 5.324 1.00 0.00 C ATOM 559 C GLU A 37 -3.739 8.915 6.753 1.00 0.00 C ATOM 560 O GLU A 37 -2.736 8.332 7.116 1.00 0.00 O ATOM 561 CB GLU A 37 -4.454 7.308 4.959 1.00 0.00 C ATOM 562 CG GLU A 37 -5.868 7.097 4.421 1.00 0.00 C ATOM 563 CD GLU A 37 -5.898 5.846 3.540 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.844 5.272 3.324 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.975 5.483 3.096 1.00 0.00 O ATOM 0 H GLU A 37 -2.521 8.659 4.099 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.203 9.335 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.720 7.011 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.288 6.680 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.571 6.990 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.183 7.967 3.846 1.00 0.00 H new ATOM 572 N GLU A 38 -4.417 9.676 7.568 1.00 0.00 N ATOM 573 CA GLU A 38 -3.968 9.847 8.977 1.00 0.00 C ATOM 574 C GLU A 38 -5.184 9.900 9.907 1.00 0.00 C ATOM 575 O GLU A 38 -5.840 10.915 10.027 1.00 0.00 O ATOM 576 CB GLU A 38 -3.218 11.178 8.997 1.00 0.00 C ATOM 577 CG GLU A 38 -2.228 11.190 10.164 1.00 0.00 C ATOM 578 CD GLU A 38 -0.973 11.964 9.762 1.00 0.00 C ATOM 579 OE1 GLU A 38 -0.317 11.545 8.822 1.00 0.00 O ATOM 580 OE2 GLU A 38 -0.686 12.964 10.400 1.00 0.00 O ATOM 0 H GLU A 38 -5.264 10.187 7.318 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.339 9.024 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.688 11.323 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.923 12.003 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.687 11.650 11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.965 10.169 10.442 1.00 0.00 H new ATOM 587 N GLY A 39 -5.489 8.815 10.563 1.00 0.00 N ATOM 588 CA GLY A 39 -6.662 8.807 11.482 1.00 0.00 C ATOM 589 C GLY A 39 -7.770 7.928 10.897 1.00 0.00 C ATOM 590 O GLY A 39 -8.889 7.930 11.370 1.00 0.00 O ATOM 0 H GLY A 39 -4.978 7.934 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.366 8.432 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.029 9.823 11.627 1.00 0.00 H new ATOM 594 N GLY A 40 -7.472 7.171 9.874 1.00 0.00 N ATOM 595 CA GLY A 40 -8.517 6.295 9.270 1.00 0.00 C ATOM 596 C GLY A 40 -9.237 7.042 8.146 1.00 0.00 C ATOM 597 O GLY A 40 -10.279 6.627 7.680 1.00 0.00 O ATOM 0 H GLY A 40 -6.554 7.122 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.060 5.386 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.233 5.990 10.033 1.00 0.00 H new ATOM 601 N LYS A 41 -8.693 8.145 7.707 1.00 0.00 N ATOM 602 CA LYS A 41 -9.346 8.915 6.616 1.00 0.00 C ATOM 603 C LYS A 41 -8.324 9.240 5.527 1.00 0.00 C ATOM 604 O LYS A 41 -7.131 9.172 5.743 1.00 0.00 O ATOM 605 CB LYS A 41 -9.850 10.197 7.280 1.00 0.00 C ATOM 606 CG LYS A 41 -11.149 10.645 6.607 1.00 0.00 C ATOM 607 CD LYS A 41 -11.331 12.153 6.798 1.00 0.00 C ATOM 608 CE LYS A 41 -12.817 12.505 6.711 1.00 0.00 C ATOM 609 NZ LYS A 41 -13.073 13.386 7.883 1.00 0.00 N ATOM 0 H LYS A 41 -7.823 8.545 8.059 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.156 8.360 6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.019 10.026 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.097 10.981 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.122 10.403 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.996 10.109 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.930 12.458 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.773 12.696 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.048 13.015 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.438 11.610 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.074 13.670 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.851 12.871 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.473 14.233 7.818 1.00 0.00 H new ATOM 623 N CYS A 42 -8.783 9.587 4.359 1.00 0.00 N ATOM 624 CA CYS A 42 -7.841 9.909 3.250 1.00 0.00 C ATOM 625 C CYS A 42 -7.942 11.397 2.900 1.00 0.00 C ATOM 626 O CYS A 42 -9.001 11.896 2.574 1.00 0.00 O ATOM 627 CB CYS A 42 -8.324 9.045 2.088 1.00 0.00 C ATOM 628 SG CYS A 42 -7.065 7.815 1.653 1.00 0.00 S ATOM 0 H CYS A 42 -9.772 9.662 4.122 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.799 9.715 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.253 8.544 2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.542 9.674 1.225 1.00 0.00 H new ATOM 633 N VAL A 43 -6.852 12.112 2.967 1.00 0.00 N ATOM 634 CA VAL A 43 -6.896 13.567 2.640 1.00 0.00 C ATOM 635 C VAL A 43 -5.707 13.949 1.756 1.00 0.00 C ATOM 636 O VAL A 43 -4.707 13.260 1.729 1.00 0.00 O ATOM 637 CB VAL A 43 -6.808 14.282 3.990 1.00 0.00 C ATOM 638 CG1 VAL A 43 -7.734 13.595 4.995 1.00 0.00 C ATOM 639 CG2 VAL A 43 -5.368 14.225 4.505 1.00 0.00 C ATOM 0 H VAL A 43 -5.935 11.753 3.233 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.799 13.837 2.093 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.111 15.322 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.670 14.105 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.760 13.635 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.432 12.555 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.305 14.734 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.065 13.185 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.706 14.715 3.791 1.00 0.00 H new ATOM 649 N PRO A 44 -5.858 15.042 1.060 1.00 0.00 N ATOM 650 CA PRO A 44 -4.780 15.528 0.166 1.00 0.00 C ATOM 651 C PRO A 44 -3.492 15.749 0.963 1.00 0.00 C ATOM 652 O PRO A 44 -3.514 16.252 2.068 1.00 0.00 O ATOM 653 CB PRO A 44 -5.316 16.854 -0.379 1.00 0.00 C ATOM 654 CG PRO A 44 -6.793 16.823 -0.133 1.00 0.00 C ATOM 655 CD PRO A 44 -7.033 15.915 1.043 1.00 0.00 C ATOM 0 HA PRO A 44 -4.536 14.822 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.852 17.701 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.098 16.958 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.169 17.825 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.322 16.458 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.125 16.479 1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.954 15.343 0.925 1.00 0.00 H new ATOM 663 N ALA A 45 -2.370 15.378 0.412 1.00 0.00 N ATOM 664 CA ALA A 45 -1.083 15.567 1.142 1.00 0.00 C ATOM 665 C ALA A 45 -0.338 16.787 0.592 1.00 0.00 C ATOM 666 O ALA A 45 -0.055 16.874 -0.586 1.00 0.00 O ATOM 667 CB ALA A 45 -0.288 14.289 0.881 1.00 0.00 C ATOM 0 H ALA A 45 -2.287 14.952 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.234 15.741 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.676 14.350 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.843 13.431 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.128 14.172 -0.191 1.00 0.00 H new ATOM 673 N SER A 46 -0.019 17.729 1.437 1.00 0.00 N ATOM 674 CA SER A 46 0.708 18.941 0.961 1.00 0.00 C ATOM 675 C SER A 46 2.188 18.855 1.343 1.00 0.00 C ATOM 676 O SER A 46 3.050 18.725 0.497 1.00 0.00 O ATOM 677 CB SER A 46 0.037 20.113 1.680 1.00 0.00 C ATOM 678 OG SER A 46 0.346 21.320 0.997 1.00 0.00 O ATOM 0 H SER A 46 -0.230 17.712 2.435 1.00 0.00 H new ATOM 0 HA SER A 46 0.666 19.048 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.043 19.965 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.382 20.167 2.713 1.00 0.00 H new ATOM 0 HG SER A 46 -0.083 22.073 1.454 1.00 0.00 H new ATOM 684 N ASN A 47 2.490 18.926 2.609 1.00 0.00 N ATOM 685 CA ASN A 47 3.915 18.848 3.044 1.00 0.00 C ATOM 686 C ASN A 47 4.343 17.385 3.190 1.00 0.00 C ATOM 687 O ASN A 47 5.457 17.090 3.575 1.00 0.00 O ATOM 688 CB ASN A 47 3.955 19.556 4.398 1.00 0.00 C ATOM 689 CG ASN A 47 3.206 20.887 4.301 1.00 0.00 C ATOM 690 OD1 ASN A 47 1.993 20.911 4.235 1.00 0.00 O ATOM 691 ND2 ASN A 47 3.883 22.002 4.290 1.00 0.00 N ATOM 0 H ASN A 47 1.812 19.035 3.363 1.00 0.00 H new ATOM 0 HA ASN A 47 4.593 19.307 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.501 18.926 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.988 19.729 4.699 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.394 22.895 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.901 21.981 4.345 1.00 0.00 H new ATOM 698 N VAL A 48 3.467 16.467 2.886 1.00 0.00 N ATOM 699 CA VAL A 48 3.826 15.025 3.007 1.00 0.00 C ATOM 700 C VAL A 48 4.910 14.662 1.989 1.00 0.00 C ATOM 701 O VAL A 48 4.780 14.923 0.809 1.00 0.00 O ATOM 702 CB VAL A 48 2.533 14.267 2.708 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.844 12.783 2.510 1.00 0.00 C ATOM 704 CG2 VAL A 48 1.562 14.432 3.878 1.00 0.00 C ATOM 0 H VAL A 48 2.519 16.653 2.559 1.00 0.00 H new ATOM 0 HA VAL A 48 4.222 14.780 3.992 1.00 0.00 H new ATOM 0 HB VAL A 48 2.081 14.667 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.921 12.243 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.535 12.664 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.298 12.382 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.640 13.891 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.015 14.033 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.338 15.489 4.019 1.00 0.00 H new ATOM 714 N THR A 49 5.979 14.059 2.435 1.00 0.00 N ATOM 715 CA THR A 49 7.069 13.678 1.491 1.00 0.00 C ATOM 716 C THR A 49 7.989 12.642 2.141 1.00 0.00 C ATOM 717 O THR A 49 7.812 12.274 3.285 1.00 0.00 O ATOM 718 CB THR A 49 7.830 14.978 1.218 1.00 0.00 C ATOM 719 OG1 THR A 49 7.531 15.922 2.236 1.00 0.00 O ATOM 720 CG2 THR A 49 7.413 15.539 -0.141 1.00 0.00 C ATOM 0 H THR A 49 6.145 13.814 3.411 1.00 0.00 H new ATOM 0 HA THR A 49 6.686 13.232 0.573 1.00 0.00 H new ATOM 0 HB THR A 49 8.902 14.778 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.019 16.754 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.955 16.465 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.644 14.813 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.342 15.740 -0.138 1.00 0.00 H new ATOM 728 N CYS A 50 8.971 12.164 1.421 1.00 0.00 N ATOM 729 CA CYS A 50 9.897 11.149 2.008 1.00 0.00 C ATOM 730 C CYS A 50 10.228 11.517 3.457 1.00 0.00 C ATOM 731 O CYS A 50 10.172 10.692 4.346 1.00 0.00 O ATOM 732 CB CYS A 50 11.156 11.206 1.145 1.00 0.00 C ATOM 733 SG CYS A 50 11.375 9.628 0.285 1.00 0.00 S ATOM 0 H CYS A 50 9.171 12.431 0.457 1.00 0.00 H new ATOM 0 HA CYS A 50 9.458 10.151 2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.077 12.018 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.026 11.417 1.767 1.00 0.00 H new ATOM 738 N LYS A 51 10.571 12.753 3.700 1.00 0.00 N ATOM 739 CA LYS A 51 10.903 13.173 5.093 1.00 0.00 C ATOM 740 C LYS A 51 9.803 12.716 6.051 1.00 0.00 C ATOM 741 O LYS A 51 10.068 12.203 7.121 1.00 0.00 O ATOM 742 CB LYS A 51 10.974 14.699 5.041 1.00 0.00 C ATOM 743 CG LYS A 51 12.207 15.126 4.241 1.00 0.00 C ATOM 744 CD LYS A 51 12.307 16.652 4.234 1.00 0.00 C ATOM 745 CE LYS A 51 13.091 17.106 3.001 1.00 0.00 C ATOM 746 NZ LYS A 51 14.323 17.745 3.543 1.00 0.00 N ATOM 0 H LYS A 51 10.636 13.489 2.997 1.00 0.00 H new ATOM 0 HA LYS A 51 11.837 12.737 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.071 15.100 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.024 15.106 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.106 14.694 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.139 14.751 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.310 17.092 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.802 16.999 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.335 16.262 2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.512 17.809 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.914 18.083 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.060 18.549 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.857 17.050 4.103 1.00 0.00 H new ATOM 760 N ASP A 52 8.565 12.894 5.675 1.00 0.00 N ATOM 761 CA ASP A 52 7.448 12.466 6.561 1.00 0.00 C ATOM 762 C ASP A 52 7.277 10.946 6.483 1.00 0.00 C ATOM 763 O ASP A 52 8.208 10.224 6.188 1.00 0.00 O ATOM 764 CB ASP A 52 6.210 13.174 6.012 1.00 0.00 C ATOM 765 CG ASP A 52 6.465 14.681 5.958 1.00 0.00 C ATOM 766 OD1 ASP A 52 7.581 15.083 6.244 1.00 0.00 O ATOM 767 OD2 ASP A 52 5.542 15.408 5.630 1.00 0.00 O ATOM 0 H ASP A 52 8.280 13.318 4.792 1.00 0.00 H new ATOM 0 HA ASP A 52 7.626 12.717 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.975 12.798 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.347 12.963 6.644 1.00 0.00 H new ATOM 772 N ASN A 53 6.096 10.456 6.736 1.00 0.00 N ATOM 773 CA ASN A 53 5.874 8.993 6.664 1.00 0.00 C ATOM 774 C ASN A 53 5.408 8.615 5.262 1.00 0.00 C ATOM 775 O ASN A 53 4.311 8.932 4.849 1.00 0.00 O ATOM 776 CB ASN A 53 4.780 8.704 7.694 1.00 0.00 C ATOM 777 CG ASN A 53 5.425 8.341 9.034 1.00 0.00 C ATOM 778 OD1 ASN A 53 6.476 8.847 9.372 1.00 0.00 O ATOM 779 ND2 ASN A 53 4.833 7.483 9.818 1.00 0.00 N ATOM 0 H ASN A 53 5.277 11.009 6.989 1.00 0.00 H new ATOM 0 HA ASN A 53 6.779 8.421 6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.137 9.576 7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.148 7.886 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.253 7.237 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.950 7.058 9.535 1.00 0.00 H new ATOM 786 N ASN A 54 6.242 7.933 4.543 1.00 0.00 N ATOM 787 CA ASN A 54 5.890 7.502 3.156 1.00 0.00 C ATOM 788 C ASN A 54 5.009 8.546 2.461 1.00 0.00 C ATOM 789 O ASN A 54 3.816 8.613 2.685 1.00 0.00 O ATOM 790 CB ASN A 54 5.124 6.191 3.336 1.00 0.00 C ATOM 791 CG ASN A 54 6.116 5.032 3.454 1.00 0.00 C ATOM 792 OD1 ASN A 54 6.196 4.389 4.483 1.00 0.00 O ATOM 793 ND2 ASN A 54 6.882 4.738 2.440 1.00 0.00 N ATOM 0 H ASN A 54 7.170 7.647 4.856 1.00 0.00 H new ATOM 0 HA ASN A 54 6.776 7.384 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.500 6.242 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.457 6.028 2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.548 3.969 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.815 5.277 1.577 1.00 0.00 H new ATOM 800 N GLY A 55 5.584 9.353 1.610 1.00 0.00 N ATOM 801 CA GLY A 55 4.775 10.384 0.896 1.00 0.00 C ATOM 802 C GLY A 55 4.040 9.733 -0.278 1.00 0.00 C ATOM 803 O GLY A 55 4.003 10.263 -1.371 1.00 0.00 O ATOM 0 H GLY A 55 6.577 9.343 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.059 10.838 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.422 11.184 0.535 1.00 0.00 H new ATOM 807 N GLY A 56 3.451 8.586 -0.064 1.00 0.00 N ATOM 808 CA GLY A 56 2.718 7.908 -1.172 1.00 0.00 C ATOM 809 C GLY A 56 2.830 6.389 -1.010 1.00 0.00 C ATOM 810 O GLY A 56 1.929 5.653 -1.359 1.00 0.00 O ATOM 0 H GLY A 56 3.446 8.091 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.670 8.208 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.130 8.212 -2.134 1.00 0.00 H new ATOM 814 N CYS A 57 3.928 5.914 -0.486 1.00 0.00 N ATOM 815 CA CYS A 57 4.093 4.442 -0.308 1.00 0.00 C ATOM 816 C CYS A 57 3.642 4.023 1.096 1.00 0.00 C ATOM 817 O CYS A 57 2.800 4.654 1.701 1.00 0.00 O ATOM 818 CB CYS A 57 5.589 4.188 -0.491 1.00 0.00 C ATOM 819 SG CYS A 57 5.833 2.721 -1.525 1.00 0.00 S ATOM 0 H CYS A 57 4.717 6.480 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 57 3.493 3.870 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.061 5.054 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.065 4.045 0.479 1.00 0.00 H new ATOM 824 N ALA A 58 4.195 2.958 1.614 1.00 0.00 N ATOM 825 CA ALA A 58 3.794 2.497 2.976 1.00 0.00 C ATOM 826 C ALA A 58 5.038 2.194 3.820 1.00 0.00 C ATOM 827 O ALA A 58 6.148 2.252 3.330 1.00 0.00 O ATOM 828 CB ALA A 58 2.978 1.226 2.733 1.00 0.00 C ATOM 0 H ALA A 58 4.905 2.389 1.154 1.00 0.00 H new ATOM 0 HA ALA A 58 3.223 3.249 3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.643 0.821 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.112 1.462 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.597 0.488 2.223 1.00 0.00 H new ATOM 834 N PRO A 59 4.810 1.885 5.070 1.00 0.00 N ATOM 835 CA PRO A 59 5.928 1.578 5.997 1.00 0.00 C ATOM 836 C PRO A 59 6.773 0.419 5.459 1.00 0.00 C ATOM 837 O PRO A 59 7.985 0.439 5.529 1.00 0.00 O ATOM 838 CB PRO A 59 5.237 1.185 7.307 1.00 0.00 C ATOM 839 CG PRO A 59 3.789 0.998 6.971 1.00 0.00 C ATOM 840 CD PRO A 59 3.506 1.795 5.727 1.00 0.00 C ATOM 0 HA PRO A 59 6.609 2.420 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.665 0.269 7.714 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.365 1.960 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.566 -0.057 6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.158 1.335 7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.771 1.300 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.108 2.782 5.965 1.00 0.00 H new ATOM 848 N GLU A 60 6.146 -0.591 4.918 1.00 0.00 N ATOM 849 CA GLU A 60 6.921 -1.743 4.373 1.00 0.00 C ATOM 850 C GLU A 60 7.530 -1.370 3.020 1.00 0.00 C ATOM 851 O GLU A 60 8.120 -2.190 2.343 1.00 0.00 O ATOM 852 CB GLU A 60 5.899 -2.869 4.212 1.00 0.00 C ATOM 853 CG GLU A 60 5.807 -3.665 5.515 1.00 0.00 C ATOM 854 CD GLU A 60 4.823 -2.980 6.465 1.00 0.00 C ATOM 855 OE1 GLU A 60 4.144 -2.068 6.025 1.00 0.00 O ATOM 856 OE2 GLU A 60 4.765 -3.381 7.615 1.00 0.00 O ATOM 0 H GLU A 60 5.133 -0.668 4.830 1.00 0.00 H new ATOM 0 HA GLU A 60 7.745 -2.035 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.923 -2.455 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.191 -3.525 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.480 -4.684 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.790 -3.734 5.981 1.00 0.00 H new ATOM 863 N ALA A 61 7.387 -0.136 2.620 1.00 0.00 N ATOM 864 CA ALA A 61 7.949 0.302 1.311 1.00 0.00 C ATOM 865 C ALA A 61 8.948 1.441 1.521 1.00 0.00 C ATOM 866 O ALA A 61 8.854 2.196 2.468 1.00 0.00 O ATOM 867 CB ALA A 61 6.746 0.792 0.506 1.00 0.00 C ATOM 0 H ALA A 61 6.903 0.591 3.146 1.00 0.00 H new ATOM 0 HA ALA A 61 8.481 -0.501 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.079 1.133 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.033 -0.024 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.267 1.617 1.033 1.00 0.00 H new ATOM 873 N GLU A 62 9.901 1.576 0.642 1.00 0.00 N ATOM 874 CA GLU A 62 10.899 2.671 0.790 1.00 0.00 C ATOM 875 C GLU A 62 10.390 3.913 0.058 1.00 0.00 C ATOM 876 O GLU A 62 9.721 3.816 -0.951 1.00 0.00 O ATOM 877 CB GLU A 62 12.175 2.141 0.134 1.00 0.00 C ATOM 878 CG GLU A 62 13.264 3.214 0.195 1.00 0.00 C ATOM 879 CD GLU A 62 14.618 2.555 0.467 1.00 0.00 C ATOM 880 OE1 GLU A 62 14.645 1.594 1.219 1.00 0.00 O ATOM 881 OE2 GLU A 62 15.602 3.020 -0.082 1.00 0.00 O ATOM 0 H GLU A 62 10.032 0.976 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 62 11.073 2.949 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.511 1.238 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.977 1.867 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.299 3.765 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.035 3.935 0.980 1.00 0.00 H new ATOM 888 N CYS A 63 10.674 5.077 0.569 1.00 0.00 N ATOM 889 CA CYS A 63 10.176 6.309 -0.090 1.00 0.00 C ATOM 890 C CYS A 63 11.282 6.989 -0.889 1.00 0.00 C ATOM 891 O CYS A 63 12.376 7.217 -0.409 1.00 0.00 O ATOM 892 CB CYS A 63 9.690 7.209 1.057 1.00 0.00 C ATOM 893 SG CYS A 63 11.057 8.218 1.703 1.00 0.00 S ATOM 0 H CYS A 63 11.228 5.226 1.412 1.00 0.00 H new ATOM 0 HA CYS A 63 9.380 6.094 -0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.888 7.857 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.274 6.596 1.856 1.00 0.00 H new ATOM 898 N LYS A 64 10.985 7.334 -2.103 1.00 0.00 N ATOM 899 CA LYS A 64 11.982 8.030 -2.956 1.00 0.00 C ATOM 900 C LYS A 64 11.633 9.520 -2.989 1.00 0.00 C ATOM 901 O LYS A 64 10.536 9.909 -2.644 1.00 0.00 O ATOM 902 CB LYS A 64 11.833 7.405 -4.344 1.00 0.00 C ATOM 903 CG LYS A 64 12.777 6.208 -4.468 1.00 0.00 C ATOM 904 CD LYS A 64 14.222 6.702 -4.549 1.00 0.00 C ATOM 905 CE LYS A 64 14.903 6.513 -3.193 1.00 0.00 C ATOM 906 NZ LYS A 64 15.840 5.373 -3.390 1.00 0.00 N ATOM 0 H LYS A 64 10.084 7.162 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 64 13.005 7.931 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.803 7.087 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.061 8.143 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.656 5.546 -3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.530 5.627 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.763 6.152 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.242 7.754 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.436 7.414 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.174 6.295 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.346 5.182 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.304 4.528 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.526 5.612 -4.134 1.00 0.00 H new ATOM 920 N MET A 65 12.543 10.360 -3.379 1.00 0.00 N ATOM 921 CA MET A 65 12.228 11.816 -3.405 1.00 0.00 C ATOM 922 C MET A 65 12.631 12.434 -4.741 1.00 0.00 C ATOM 923 O MET A 65 13.596 12.030 -5.360 1.00 0.00 O ATOM 924 CB MET A 65 13.040 12.424 -2.262 1.00 0.00 C ATOM 925 CG MET A 65 12.144 13.348 -1.434 1.00 0.00 C ATOM 926 SD MET A 65 12.169 15.012 -2.150 1.00 0.00 S ATOM 927 CE MET A 65 10.430 15.414 -1.846 1.00 0.00 C ATOM 0 H MET A 65 13.485 10.108 -3.679 1.00 0.00 H new ATOM 0 HA MET A 65 11.160 12.001 -3.288 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.448 11.634 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 65 13.887 12.983 -2.660 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.124 12.963 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.491 13.379 -0.401 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.317 16.494 -1.753 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.823 15.056 -2.678 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.101 14.934 -0.924 1.00 0.00 H new ATOM 937 N THR A 66 11.906 13.423 -5.184 1.00 0.00 N ATOM 938 CA THR A 66 12.252 14.079 -6.473 1.00 0.00 C ATOM 939 C THR A 66 13.514 14.913 -6.269 1.00 0.00 C ATOM 940 O THR A 66 14.095 14.909 -5.201 1.00 0.00 O ATOM 941 CB THR A 66 11.054 14.973 -6.804 1.00 0.00 C ATOM 942 OG1 THR A 66 9.856 14.219 -6.687 1.00 0.00 O ATOM 943 CG2 THR A 66 11.185 15.500 -8.234 1.00 0.00 C ATOM 0 H THR A 66 11.089 13.805 -4.708 1.00 0.00 H new ATOM 0 HA THR A 66 12.446 13.371 -7.279 1.00 0.00 H new ATOM 0 HB THR A 66 11.027 15.813 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.890 13.675 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.331 16.136 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.104 16.079 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.213 14.661 -8.930 1.00 0.00 H new ATOM 951 N ASP A 67 13.962 15.613 -7.268 1.00 0.00 N ATOM 952 CA ASP A 67 15.200 16.416 -7.088 1.00 0.00 C ATOM 953 C ASP A 67 15.072 17.274 -5.829 1.00 0.00 C ATOM 954 O ASP A 67 16.051 17.756 -5.296 1.00 0.00 O ATOM 955 CB ASP A 67 15.288 17.301 -8.330 1.00 0.00 C ATOM 956 CG ASP A 67 13.897 17.833 -8.685 1.00 0.00 C ATOM 957 OD1 ASP A 67 13.392 18.655 -7.939 1.00 0.00 O ATOM 958 OD2 ASP A 67 13.361 17.406 -9.695 1.00 0.00 O ATOM 0 H ASP A 67 13.532 15.665 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 67 16.088 15.795 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.970 18.132 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.694 16.732 -9.166 1.00 0.00 H new ATOM 963 N SER A 68 13.870 17.448 -5.337 1.00 0.00 N ATOM 964 CA SER A 68 13.670 18.254 -4.100 1.00 0.00 C ATOM 965 C SER A 68 12.212 18.703 -3.996 1.00 0.00 C ATOM 966 O SER A 68 11.933 19.871 -3.812 1.00 0.00 O ATOM 967 CB SER A 68 14.590 19.469 -4.249 1.00 0.00 C ATOM 968 OG SER A 68 14.094 20.537 -3.452 1.00 0.00 O ATOM 0 H SER A 68 13.017 17.063 -5.743 1.00 0.00 H new ATOM 0 HA SER A 68 13.899 17.682 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.604 19.211 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.642 19.774 -5.294 1.00 0.00 H new ATOM 0 HG SER A 68 13.185 20.764 -3.739 1.00 0.00 H new ATOM 974 N ASN A 69 11.269 17.801 -4.115 1.00 0.00 N ATOM 975 CA ASN A 69 9.849 18.248 -4.018 1.00 0.00 C ATOM 976 C ASN A 69 8.854 17.083 -3.909 1.00 0.00 C ATOM 977 O ASN A 69 8.151 16.956 -2.926 1.00 0.00 O ATOM 978 CB ASN A 69 9.602 19.032 -5.308 1.00 0.00 C ATOM 979 CG ASN A 69 8.139 19.475 -5.364 1.00 0.00 C ATOM 980 OD1 ASN A 69 7.473 19.285 -6.361 1.00 0.00 O ATOM 981 ND2 ASN A 69 7.606 20.063 -4.327 1.00 0.00 N ATOM 0 H ASN A 69 11.415 16.804 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 69 9.695 18.837 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.258 19.901 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.839 18.413 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.631 20.362 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.164 20.223 -3.489 1.00 0.00 H new ATOM 988 N LYS A 70 8.745 16.266 -4.920 1.00 0.00 N ATOM 989 CA LYS A 70 7.740 15.158 -4.869 1.00 0.00 C ATOM 990 C LYS A 70 8.302 13.881 -4.236 1.00 0.00 C ATOM 991 O LYS A 70 9.354 13.397 -4.603 1.00 0.00 O ATOM 992 CB LYS A 70 7.373 14.904 -6.331 1.00 0.00 C ATOM 993 CG LYS A 70 5.958 15.422 -6.600 1.00 0.00 C ATOM 994 CD LYS A 70 5.856 16.883 -6.156 1.00 0.00 C ATOM 995 CE LYS A 70 5.110 16.961 -4.822 1.00 0.00 C ATOM 996 NZ LYS A 70 3.756 17.472 -5.167 1.00 0.00 N ATOM 0 H LYS A 70 9.301 16.313 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 70 6.886 15.436 -4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.085 15.403 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.429 13.838 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.723 15.336 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.229 14.816 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.852 17.313 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.333 17.468 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.053 15.983 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.617 17.627 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.185 17.553 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.841 18.407 -5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.294 16.814 -5.827 1.00 0.00 H new ATOM 1010 N ILE A 71 7.584 13.326 -3.295 1.00 0.00 N ATOM 1011 CA ILE A 71 8.031 12.069 -2.637 1.00 0.00 C ATOM 1012 C ILE A 71 7.595 10.863 -3.476 1.00 0.00 C ATOM 1013 O ILE A 71 6.433 10.703 -3.788 1.00 0.00 O ATOM 1014 CB ILE A 71 7.312 12.064 -1.286 1.00 0.00 C ATOM 1015 CG1 ILE A 71 7.333 10.653 -0.692 1.00 0.00 C ATOM 1016 CG2 ILE A 71 5.857 12.505 -1.481 1.00 0.00 C ATOM 1017 CD1 ILE A 71 8.701 10.018 -0.920 1.00 0.00 C ATOM 0 H ILE A 71 6.697 13.697 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 71 9.114 12.013 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 71 7.819 12.751 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.114 10.694 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.557 10.042 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.344 12.502 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.835 13.511 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.356 11.817 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.711 9.014 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.902 9.962 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.468 10.624 -0.438 1.00 0.00 H new ATOM 1029 N VAL A 72 8.514 10.015 -3.843 1.00 0.00 N ATOM 1030 CA VAL A 72 8.143 8.825 -4.663 1.00 0.00 C ATOM 1031 C VAL A 72 8.031 7.580 -3.775 1.00 0.00 C ATOM 1032 O VAL A 72 8.645 7.493 -2.731 1.00 0.00 O ATOM 1033 CB VAL A 72 9.282 8.669 -5.672 1.00 0.00 C ATOM 1034 CG1 VAL A 72 9.264 7.255 -6.254 1.00 0.00 C ATOM 1035 CG2 VAL A 72 9.101 9.686 -6.801 1.00 0.00 C ATOM 0 H VAL A 72 9.504 10.093 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 72 7.178 8.947 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 72 10.235 8.841 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.077 7.147 -6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.391 6.529 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.312 7.080 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.911 9.577 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.147 9.511 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.116 10.695 -6.388 1.00 0.00 H new ATOM 1045 N CYS A 73 7.251 6.619 -4.187 1.00 0.00 N ATOM 1046 CA CYS A 73 7.092 5.377 -3.375 1.00 0.00 C ATOM 1047 C CYS A 73 7.872 4.226 -4.020 1.00 0.00 C ATOM 1048 O CYS A 73 7.836 4.032 -5.219 1.00 0.00 O ATOM 1049 CB CYS A 73 5.584 5.096 -3.390 1.00 0.00 C ATOM 1050 SG CYS A 73 5.283 3.309 -3.377 1.00 0.00 S ATOM 0 H CYS A 73 6.714 6.639 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 73 7.475 5.483 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.111 5.558 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.132 5.542 -4.276 1.00 0.00 H new ATOM 1055 N LYS A 74 8.575 3.461 -3.230 1.00 0.00 N ATOM 1056 CA LYS A 74 9.354 2.323 -3.795 1.00 0.00 C ATOM 1057 C LYS A 74 9.292 1.122 -2.846 1.00 0.00 C ATOM 1058 O LYS A 74 9.742 1.184 -1.721 1.00 0.00 O ATOM 1059 CB LYS A 74 10.788 2.841 -3.908 1.00 0.00 C ATOM 1060 CG LYS A 74 11.747 1.660 -4.077 1.00 0.00 C ATOM 1061 CD LYS A 74 12.871 2.048 -5.041 1.00 0.00 C ATOM 1062 CE LYS A 74 14.025 1.053 -4.909 1.00 0.00 C ATOM 1063 NZ LYS A 74 14.724 1.098 -6.224 1.00 0.00 N ATOM 0 H LYS A 74 8.644 3.575 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 74 8.964 1.992 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.875 3.518 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.051 3.412 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.164 1.376 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.209 0.793 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.499 2.055 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.220 3.057 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.695 1.331 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.658 0.050 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.530 0.440 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.063 0.822 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.068 2.063 -6.402 1.00 0.00 H new ATOM 1077 N CYS A 75 8.738 0.028 -3.293 1.00 0.00 N ATOM 1078 CA CYS A 75 8.648 -1.175 -2.417 1.00 0.00 C ATOM 1079 C CYS A 75 9.411 -2.341 -3.053 1.00 0.00 C ATOM 1080 O CYS A 75 9.166 -2.714 -4.182 1.00 0.00 O ATOM 1081 CB CYS A 75 7.150 -1.480 -2.324 1.00 0.00 C ATOM 1082 SG CYS A 75 6.890 -3.259 -2.095 1.00 0.00 S ATOM 0 H CYS A 75 8.344 -0.085 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 75 9.087 -1.015 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.710 -0.930 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.646 -1.144 -3.230 1.00 0.00 H new ATOM 1087 N THR A 76 10.335 -2.917 -2.335 1.00 0.00 N ATOM 1088 CA THR A 76 11.113 -4.058 -2.899 1.00 0.00 C ATOM 1089 C THR A 76 11.898 -4.767 -1.793 1.00 0.00 C ATOM 1090 O THR A 76 13.100 -4.930 -1.879 1.00 0.00 O ATOM 1091 CB THR A 76 12.068 -3.425 -3.914 1.00 0.00 C ATOM 1092 OG1 THR A 76 11.861 -2.020 -3.948 1.00 0.00 O ATOM 1093 CG2 THR A 76 11.806 -4.016 -5.301 1.00 0.00 C ATOM 0 H THR A 76 10.585 -2.648 -1.383 1.00 0.00 H new ATOM 0 HA THR A 76 10.468 -4.808 -3.358 1.00 0.00 H new ATOM 0 HB THR A 76 13.097 -3.632 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.218 -1.657 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.486 -3.565 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.968 -5.094 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.777 -3.811 -5.595 1.00 0.00 H new ATOM 1101 N LYS A 77 11.231 -5.194 -0.757 1.00 0.00 N ATOM 1102 CA LYS A 77 11.941 -5.896 0.351 1.00 0.00 C ATOM 1103 C LYS A 77 12.006 -7.398 0.065 1.00 0.00 C ATOM 1104 O LYS A 77 11.573 -8.211 0.857 1.00 0.00 O ATOM 1105 CB LYS A 77 11.097 -5.623 1.597 1.00 0.00 C ATOM 1106 CG LYS A 77 11.624 -6.460 2.764 1.00 0.00 C ATOM 1107 CD LYS A 77 10.517 -7.384 3.274 1.00 0.00 C ATOM 1108 CE LYS A 77 9.268 -6.559 3.588 1.00 0.00 C ATOM 1109 NZ LYS A 77 9.037 -6.751 5.046 1.00 0.00 N ATOM 0 H LYS A 77 10.225 -5.088 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 77 12.968 -5.550 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.135 -4.563 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.053 -5.868 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.484 -7.048 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.966 -5.808 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.287 -8.141 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.852 -7.911 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.419 -5.507 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.413 -6.900 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.195 -6.215 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.890 -7.761 5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.865 -6.411 5.576 1.00 0.00 H new ATOM 1123 N GLU A 78 12.543 -7.773 -1.064 1.00 0.00 N ATOM 1124 CA GLU A 78 12.636 -9.223 -1.402 1.00 0.00 C ATOM 1125 C GLU A 78 11.239 -9.852 -1.407 1.00 0.00 C ATOM 1126 O GLU A 78 10.720 -10.240 -0.378 1.00 0.00 O ATOM 1127 CB GLU A 78 13.498 -9.833 -0.297 1.00 0.00 C ATOM 1128 CG GLU A 78 13.750 -11.310 -0.605 1.00 0.00 C ATOM 1129 CD GLU A 78 13.018 -12.177 0.421 1.00 0.00 C ATOM 1130 OE1 GLU A 78 13.522 -12.308 1.524 1.00 0.00 O ATOM 1131 OE2 GLU A 78 11.966 -12.697 0.086 1.00 0.00 O ATOM 0 H GLU A 78 12.921 -7.138 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 78 13.064 -9.392 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.445 -9.299 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.999 -9.731 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.403 -11.547 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.819 -11.521 -0.578 1.00 0.00 H new ATOM 1138 N GLY A 79 10.629 -9.956 -2.555 1.00 0.00 N ATOM 1139 CA GLY A 79 9.268 -10.560 -2.623 1.00 0.00 C ATOM 1140 C GLY A 79 8.232 -9.535 -2.159 1.00 0.00 C ATOM 1141 O GLY A 79 7.145 -9.882 -1.739 1.00 0.00 O ATOM 0 H GLY A 79 11.013 -9.649 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.050 -10.878 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.222 -11.450 -1.995 1.00 0.00 H new ATOM 1145 N SER A 80 8.559 -8.274 -2.229 1.00 0.00 N ATOM 1146 CA SER A 80 7.592 -7.227 -1.790 1.00 0.00 C ATOM 1147 C SER A 80 7.185 -6.350 -2.978 1.00 0.00 C ATOM 1148 O SER A 80 8.006 -5.967 -3.788 1.00 0.00 O ATOM 1149 CB SER A 80 8.350 -6.406 -0.747 1.00 0.00 C ATOM 1150 OG SER A 80 8.697 -5.143 -1.300 1.00 0.00 O ATOM 0 H SER A 80 9.453 -7.923 -2.571 1.00 0.00 H new ATOM 0 HA SER A 80 6.674 -7.653 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.734 -6.269 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.249 -6.937 -0.433 1.00 0.00 H new ATOM 0 HG SER A 80 7.965 -4.509 -1.151 1.00 0.00 H new ATOM 1156 N GLU A 81 5.923 -6.031 -3.090 1.00 0.00 N ATOM 1157 CA GLU A 81 5.467 -5.181 -4.229 1.00 0.00 C ATOM 1158 C GLU A 81 4.454 -4.139 -3.746 1.00 0.00 C ATOM 1159 O GLU A 81 3.511 -4.465 -3.053 1.00 0.00 O ATOM 1160 CB GLU A 81 4.811 -6.154 -5.210 1.00 0.00 C ATOM 1161 CG GLU A 81 4.102 -5.365 -6.314 1.00 0.00 C ATOM 1162 CD GLU A 81 4.481 -5.944 -7.678 1.00 0.00 C ATOM 1163 OE1 GLU A 81 5.666 -6.045 -7.949 1.00 0.00 O ATOM 1164 OE2 GLU A 81 3.579 -6.276 -8.430 1.00 0.00 O ATOM 0 H GLU A 81 5.189 -6.321 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 81 6.289 -4.631 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.564 -6.812 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.097 -6.789 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.022 -5.413 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.384 -4.313 -6.262 1.00 0.00 H new ATOM 1171 N PRO A 82 4.688 -2.913 -4.134 1.00 0.00 N ATOM 1172 CA PRO A 82 3.785 -1.805 -3.736 1.00 0.00 C ATOM 1173 C PRO A 82 2.453 -1.915 -4.481 1.00 0.00 C ATOM 1174 O PRO A 82 2.418 -2.178 -5.666 1.00 0.00 O ATOM 1175 CB PRO A 82 4.540 -0.548 -4.165 1.00 0.00 C ATOM 1176 CG PRO A 82 5.490 -0.999 -5.229 1.00 0.00 C ATOM 1177 CD PRO A 82 5.798 -2.452 -4.974 1.00 0.00 C ATOM 0 HA PRO A 82 3.547 -1.809 -2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.856 0.211 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.073 -0.104 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.049 -0.868 -6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.403 -0.404 -5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.854 -3.016 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.756 -2.573 -4.469 1.00 0.00 H new ATOM 1185 N LEU A 83 1.354 -1.719 -3.803 1.00 0.00 N ATOM 1186 CA LEU A 83 0.040 -1.816 -4.495 1.00 0.00 C ATOM 1187 C LEU A 83 -0.382 -0.450 -5.036 1.00 0.00 C ATOM 1188 O LEU A 83 -0.534 0.503 -4.304 1.00 0.00 O ATOM 1189 CB LEU A 83 -0.934 -2.315 -3.427 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.561 -3.632 -3.888 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -0.517 -4.747 -3.816 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -2.740 -3.983 -2.976 1.00 0.00 C ATOM 0 H LEU A 83 1.310 -1.498 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 83 0.072 -2.487 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.412 -2.459 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.711 -1.571 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.912 -3.526 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.964 -5.685 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.325 -4.500 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.167 -4.852 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.187 -4.921 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.388 -4.088 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.486 -3.190 -3.024 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.567 -0.372 -6.328 1.00 0.00 N ATOM 1205 CA PHE A 84 -0.978 0.905 -6.990 1.00 0.00 C ATOM 1206 C PHE A 84 -0.311 2.130 -6.357 1.00 0.00 C ATOM 1207 O PHE A 84 0.511 2.785 -6.966 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.505 0.999 -6.841 1.00 0.00 C ATOM 1209 CG PHE A 84 -3.001 0.101 -5.731 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.222 -1.259 -5.979 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.257 0.629 -4.458 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -3.694 -2.092 -4.957 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.731 -0.203 -3.437 1.00 0.00 C ATOM 1214 CZ PHE A 84 -3.950 -1.562 -3.686 1.00 0.00 C ATOM 0 H PHE A 84 -0.448 -1.158 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.667 0.897 -8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.790 2.030 -6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.983 0.719 -7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.028 -1.666 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.088 1.678 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.860 -3.142 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.928 0.205 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.317 -2.203 -2.898 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.684 2.462 -5.159 1.00 0.00 N ATOM 1225 CA GLU A 85 -0.101 3.672 -4.501 1.00 0.00 C ATOM 1226 C GLU A 85 1.136 3.334 -3.663 1.00 0.00 C ATOM 1227 O GLU A 85 1.976 4.180 -3.426 1.00 0.00 O ATOM 1228 CB GLU A 85 -1.220 4.201 -3.603 1.00 0.00 C ATOM 1229 CG GLU A 85 -2.493 4.389 -4.429 1.00 0.00 C ATOM 1230 CD GLU A 85 -2.238 5.415 -5.534 1.00 0.00 C ATOM 1231 OE1 GLU A 85 -1.378 6.260 -5.343 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -2.905 5.338 -6.553 1.00 0.00 O ATOM 0 H GLU A 85 -1.368 1.952 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 85 0.233 4.400 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.404 3.504 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.923 5.148 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.800 3.438 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.309 4.724 -3.788 1.00 0.00 H new ATOM 1239 N GLY A 86 1.254 2.126 -3.196 1.00 0.00 N ATOM 1240 CA GLY A 86 2.433 1.774 -2.358 1.00 0.00 C ATOM 1241 C GLY A 86 1.968 1.603 -0.917 1.00 0.00 C ATOM 1242 O GLY A 86 2.475 0.774 -0.189 1.00 0.00 O ATOM 0 H GLY A 86 0.589 1.369 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.893 0.854 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.190 2.556 -2.422 1.00 0.00 H new ATOM 1246 N VAL A 87 0.992 2.373 -0.507 1.00 0.00 N ATOM 1247 CA VAL A 87 0.471 2.248 0.885 1.00 0.00 C ATOM 1248 C VAL A 87 0.444 0.775 1.278 1.00 0.00 C ATOM 1249 O VAL A 87 0.568 0.417 2.431 1.00 0.00 O ATOM 1250 CB VAL A 87 -0.947 2.805 0.823 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -1.590 2.724 2.210 1.00 0.00 C ATOM 1252 CG2 VAL A 87 -0.904 4.264 0.363 1.00 0.00 C ATOM 0 H VAL A 87 0.534 3.083 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 87 1.082 2.776 1.617 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.535 2.220 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.604 3.122 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.623 1.684 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.002 3.308 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.918 4.662 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.315 4.850 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.449 4.320 -0.626 1.00 0.00 H new ATOM 1262 N PHE A 88 0.291 -0.079 0.311 1.00 0.00 N ATOM 1263 CA PHE A 88 0.269 -1.534 0.593 1.00 0.00 C ATOM 1264 C PHE A 88 1.345 -2.223 -0.244 1.00 0.00 C ATOM 1265 O PHE A 88 1.172 -2.462 -1.419 1.00 0.00 O ATOM 1266 CB PHE A 88 -1.122 -1.994 0.175 1.00 0.00 C ATOM 1267 CG PHE A 88 -1.427 -3.303 0.850 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -1.515 -3.362 2.244 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.620 -4.455 0.083 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -1.798 -4.579 2.875 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.904 -5.673 0.711 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.993 -5.735 2.108 1.00 0.00 C ATOM 0 H PHE A 88 0.179 0.172 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 88 0.469 -1.770 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.865 -1.246 0.451 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.171 -2.108 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.365 -2.470 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.550 -4.405 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.866 -4.627 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.054 -6.564 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.212 -6.674 2.594 1.00 0.00 H new ATOM 1282 N CYS A 89 2.462 -2.529 0.346 1.00 0.00 N ATOM 1283 CA CYS A 89 3.547 -3.184 -0.430 1.00 0.00 C ATOM 1284 C CYS A 89 3.691 -4.647 -0.007 1.00 0.00 C ATOM 1285 O CYS A 89 4.081 -4.949 1.104 1.00 0.00 O ATOM 1286 CB CYS A 89 4.801 -2.371 -0.096 1.00 0.00 C ATOM 1287 SG CYS A 89 6.271 -3.427 -0.181 1.00 0.00 S ATOM 0 H CYS A 89 2.671 -2.355 1.329 1.00 0.00 H new ATOM 0 HA CYS A 89 3.354 -3.200 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.901 -1.539 -0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.710 -1.941 0.902 1.00 0.00 H new ATOM 1292 N SER A 90 3.377 -5.555 -0.889 1.00 0.00 N ATOM 1293 CA SER A 90 3.490 -7.002 -0.547 1.00 0.00 C ATOM 1294 C SER A 90 4.875 -7.300 0.036 1.00 0.00 C ATOM 1295 O SER A 90 5.655 -6.371 0.162 1.00 0.00 O ATOM 1296 CB SER A 90 3.296 -7.739 -1.870 1.00 0.00 C ATOM 1297 OG SER A 90 2.298 -8.739 -1.708 1.00 0.00 O ATOM 1298 OXT SER A 90 5.129 -8.453 0.346 1.00 0.00 O ATOM 0 H SER A 90 3.046 -5.358 -1.834 1.00 0.00 H new ATOM 0 HA SER A 90 2.758 -7.308 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.001 -7.038 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.234 -8.193 -2.188 1.00 0.00 H new ATOM 0 HG SER A 90 2.169 -9.213 -2.556 1.00 0.00 H new TER 1304 SER A 90