USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 646 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 7 LYS NZ :NH3+ 144:sc= 0.377 (180deg=0.0302) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 CYS SG : rot 180:sc= 0.784 USER MOD Set 2.2: A 11 ASN : amide:sc= -2.62! C(o=-3.1!,f=-8.6!) USER MOD Set 2.3: A 17 HIS : no HE2:sc= -1.39! C(o=-3.1!,f=-4.6!) USER MOD Set 2.4: A 36 SER OG : rot 180:sc= 0.161 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.396) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.807 (180deg=0.751) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 100:sc= -0.6 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD Single : A 15 ASN : amide:sc= 2.02 K(o=2,f=-0.011) USER MOD Single : A 20 MET CE :methyl 169:sc= -0.788 (180deg=-1.01) USER MOD Single : A 22 CYS SG : rot 71:sc= -1.61 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.708) USER MOD Single : A 30 MET CE :methyl -171:sc= 0 (180deg=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 0.746 (180deg=-0.331!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0052 X(o=-0.0052,f=-0.0047) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.307 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.411 USER MOD Single : A 57 ASN : amide:sc= 2.02 K(o=2,f=-5.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00349 USER MOD Single : A 73 SER OG : rot 14:sc= 0.812 USER MOD Single : A 80 GLN : amide:sc= 0.0228 X(o=0.023,f=-0.078) USER MOD Single : A 81 CYS SG : rot 131:sc= 0.836 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.887 -1.111 -0.432 1.00 0.00 N ATOM 2 CA MET A 1 3.380 -0.737 -1.775 1.00 0.00 C ATOM 3 C MET A 1 4.484 0.306 -1.614 1.00 0.00 C ATOM 4 O MET A 1 4.310 1.293 -0.899 1.00 0.00 O ATOM 5 CB MET A 1 2.251 -0.238 -2.699 1.00 0.00 C ATOM 6 CG MET A 1 2.728 -0.116 -4.155 1.00 0.00 C ATOM 7 SD MET A 1 1.433 0.356 -5.337 1.00 0.00 S ATOM 8 CE MET A 1 2.367 0.174 -6.883 1.00 0.00 C ATOM 0 H1 MET A 1 2.246 -1.926 -0.512 1.00 0.00 H new ATOM 0 H2 MET A 1 3.693 -1.362 0.176 1.00 0.00 H new ATOM 0 H3 MET A 1 2.375 -0.308 -0.014 1.00 0.00 H new ATOM 0 HA MET A 1 3.784 -1.624 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.407 -0.926 -2.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.895 0.731 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.529 0.621 -4.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.155 -1.070 -4.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.822 0.654 -7.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.345 0.643 -6.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.496 -0.885 -7.108 1.00 0.00 H new ATOM 20 N GLU A 2 5.629 0.088 -2.264 1.00 0.00 N ATOM 21 CA GLU A 2 6.815 0.927 -2.161 1.00 0.00 C ATOM 22 C GLU A 2 7.243 1.276 -3.588 1.00 0.00 C ATOM 23 O GLU A 2 6.841 0.594 -4.539 1.00 0.00 O ATOM 24 CB GLU A 2 7.938 0.182 -1.409 1.00 0.00 C ATOM 25 CG GLU A 2 7.558 -0.287 0.008 1.00 0.00 C ATOM 26 CD GLU A 2 6.754 -1.603 0.046 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.312 -2.673 -0.289 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.567 -1.585 0.447 1.00 0.00 O ATOM 0 H GLU A 2 5.756 -0.703 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 2 6.604 1.835 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.237 -0.686 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.807 0.836 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.469 -0.414 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.975 0.496 0.493 1.00 0.00 H new ATOM 35 N TRP A 3 8.064 2.312 -3.744 1.00 0.00 N ATOM 36 CA TRP A 3 8.461 2.832 -5.041 1.00 0.00 C ATOM 37 C TRP A 3 9.980 2.880 -5.137 1.00 0.00 C ATOM 38 O TRP A 3 10.681 2.883 -4.124 1.00 0.00 O ATOM 39 CB TRP A 3 7.868 4.231 -5.277 1.00 0.00 C ATOM 40 CG TRP A 3 6.418 4.420 -4.946 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.946 4.948 -3.796 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.239 4.120 -5.753 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.567 4.986 -3.824 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.075 4.491 -5.013 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.036 3.582 -7.043 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.778 4.331 -5.526 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.740 3.424 -7.570 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.612 3.795 -6.814 1.00 0.00 C ATOM 0 H TRP A 3 8.475 2.818 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 3 8.075 2.166 -5.813 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.445 4.947 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.012 4.487 -6.327 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.558 5.290 -2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.986 5.336 -3.062 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.889 3.287 -7.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.918 4.616 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.610 3.015 -8.561 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.621 3.668 -7.223 1.00 0.00 H new ATOM 59 N LEU A 4 10.476 2.985 -6.364 1.00 0.00 N ATOM 60 CA LEU A 4 11.868 3.207 -6.705 1.00 0.00 C ATOM 61 C LEU A 4 11.943 4.569 -7.378 1.00 0.00 C ATOM 62 O LEU A 4 11.150 4.875 -8.268 1.00 0.00 O ATOM 63 CB LEU A 4 12.319 2.098 -7.664 1.00 0.00 C ATOM 64 CG LEU A 4 13.763 2.195 -8.191 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.800 1.978 -7.087 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.968 1.132 -9.278 1.00 0.00 C ATOM 0 H LEU A 4 9.882 2.913 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 4 12.517 3.187 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.204 1.140 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.643 2.090 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 4 13.904 3.200 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.802 2.056 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.672 2.735 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.666 0.988 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.988 1.192 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.796 0.142 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.266 1.306 -10.094 1.00 0.00 H new ATOM 78 N VAL A 5 12.899 5.374 -6.945 1.00 0.00 N ATOM 79 CA VAL A 5 13.295 6.619 -7.590 1.00 0.00 C ATOM 80 C VAL A 5 14.220 6.192 -8.713 1.00 0.00 C ATOM 81 O VAL A 5 15.322 5.706 -8.416 1.00 0.00 O ATOM 82 CB VAL A 5 14.036 7.553 -6.612 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.373 8.900 -7.265 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.198 7.796 -5.348 1.00 0.00 C ATOM 0 H VAL A 5 13.441 5.173 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 5 12.430 7.179 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 5 14.967 7.056 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.895 9.532 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.011 8.734 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.453 9.392 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.741 8.458 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.250 8.257 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.008 6.846 -4.849 1.00 0.00 H new ATOM 94 N LYS A 6 13.758 6.378 -9.960 1.00 0.00 N ATOM 95 CA LYS A 6 14.510 6.115 -11.195 1.00 0.00 C ATOM 96 C LYS A 6 15.052 7.400 -11.830 1.00 0.00 C ATOM 97 O LYS A 6 15.995 7.316 -12.612 1.00 0.00 O ATOM 98 CB LYS A 6 13.628 5.385 -12.223 1.00 0.00 C ATOM 99 CG LYS A 6 13.532 3.869 -11.964 1.00 0.00 C ATOM 100 CD LYS A 6 14.522 3.028 -12.793 1.00 0.00 C ATOM 101 CE LYS A 6 15.987 3.489 -12.686 1.00 0.00 C ATOM 102 NZ LYS A 6 16.911 2.603 -13.440 1.00 0.00 N ATOM 0 H LYS A 6 12.817 6.728 -10.141 1.00 0.00 H new ATOM 0 HA LYS A 6 15.356 5.487 -10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.627 5.815 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.029 5.553 -13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.708 3.680 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.517 3.537 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.456 1.989 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.219 3.058 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.074 4.508 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.283 3.512 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.886 2.952 -13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.849 1.636 -13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.646 2.601 -14.446 1.00 0.00 H new ATOM 116 N LYS A 7 14.489 8.569 -11.507 1.00 0.00 N ATOM 117 CA LYS A 7 14.975 9.895 -11.902 1.00 0.00 C ATOM 118 C LYS A 7 14.665 10.833 -10.739 1.00 0.00 C ATOM 119 O LYS A 7 13.730 10.558 -9.985 1.00 0.00 O ATOM 120 CB LYS A 7 14.323 10.416 -13.199 1.00 0.00 C ATOM 121 CG LYS A 7 14.458 9.454 -14.391 1.00 0.00 C ATOM 122 CD LYS A 7 14.125 10.149 -15.714 1.00 0.00 C ATOM 123 CE LYS A 7 13.879 9.111 -16.815 1.00 0.00 C ATOM 124 NZ LYS A 7 13.460 9.739 -18.095 1.00 0.00 N ATOM 0 H LYS A 7 13.644 8.619 -10.938 1.00 0.00 H new ATOM 0 HA LYS A 7 16.043 9.841 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.265 10.603 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.775 11.372 -13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.474 9.062 -14.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.793 8.602 -14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.241 10.775 -15.591 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.944 10.808 -16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.789 8.533 -16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.110 8.411 -16.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.868 9.209 -18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.422 9.725 -18.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.796 10.723 -18.125 1.00 0.00 H new ATOM 138 N SER A 8 15.407 11.923 -10.602 1.00 0.00 N ATOM 139 CA SER A 8 15.332 12.869 -9.493 1.00 0.00 C ATOM 140 C SER A 8 15.893 14.210 -9.982 1.00 0.00 C ATOM 141 O SER A 8 16.706 14.231 -10.913 1.00 0.00 O ATOM 142 CB SER A 8 16.162 12.310 -8.326 1.00 0.00 C ATOM 143 OG SER A 8 17.359 11.692 -8.782 1.00 0.00 O ATOM 0 H SER A 8 16.111 12.186 -11.292 1.00 0.00 H new ATOM 0 HA SER A 8 14.308 13.016 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.409 13.116 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.567 11.585 -7.770 1.00 0.00 H new ATOM 0 HG SER A 8 18.111 12.310 -8.667 1.00 0.00 H new ATOM 149 N CYS A 9 15.509 15.318 -9.344 1.00 0.00 N ATOM 150 CA CYS A 9 16.087 16.638 -9.574 1.00 0.00 C ATOM 151 C CYS A 9 16.661 17.199 -8.267 1.00 0.00 C ATOM 152 O CYS A 9 16.448 16.637 -7.188 1.00 0.00 O ATOM 153 CB CYS A 9 15.037 17.565 -10.217 1.00 0.00 C ATOM 154 SG CYS A 9 13.886 18.278 -9.005 1.00 0.00 S ATOM 0 H CYS A 9 14.772 15.319 -8.639 1.00 0.00 H new ATOM 0 HA CYS A 9 16.919 16.564 -10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.546 18.371 -10.745 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.472 17.004 -10.961 1.00 0.00 H new ATOM 0 HG CYS A 9 13.034 19.047 -9.616 1.00 0.00 H new ATOM 160 N CYS A 10 17.353 18.335 -8.370 1.00 0.00 N ATOM 161 CA CYS A 10 17.794 19.156 -7.249 1.00 0.00 C ATOM 162 C CYS A 10 17.216 20.551 -7.498 1.00 0.00 C ATOM 163 O CYS A 10 17.161 20.981 -8.653 1.00 0.00 O ATOM 164 CB CYS A 10 19.328 19.202 -7.188 1.00 0.00 C ATOM 165 SG CYS A 10 20.015 17.538 -6.927 1.00 0.00 S ATOM 0 H CYS A 10 17.631 18.720 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 10 17.454 18.752 -6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 10 19.721 19.621 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.645 19.862 -6.380 1.00 0.00 H new ATOM 0 HG CYS A 10 21.312 17.606 -6.882 1.00 0.00 H new ATOM 171 N ASN A 11 16.787 21.256 -6.446 1.00 0.00 N ATOM 172 CA ASN A 11 16.207 22.597 -6.586 1.00 0.00 C ATOM 173 C ASN A 11 16.756 23.564 -5.541 1.00 0.00 C ATOM 174 O ASN A 11 17.280 24.603 -5.940 1.00 0.00 O ATOM 175 CB ASN A 11 14.663 22.555 -6.617 1.00 0.00 C ATOM 176 CG ASN A 11 14.001 22.692 -5.254 1.00 0.00 C ATOM 177 OD1 ASN A 11 13.731 23.799 -4.802 1.00 0.00 O ATOM 178 ND2 ASN A 11 13.848 21.601 -4.521 1.00 0.00 N ATOM 0 H ASN A 11 16.831 20.919 -5.484 1.00 0.00 H new ATOM 0 HA ASN A 11 16.518 22.988 -7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.303 23.355 -7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.347 21.614 -7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.501 21.674 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.077 20.687 -4.912 1.00 0.00 H new ATOM 185 N LYS A 12 16.681 23.226 -4.243 1.00 0.00 N ATOM 186 CA LYS A 12 16.953 24.069 -3.062 1.00 0.00 C ATOM 187 C LYS A 12 16.214 25.423 -2.992 1.00 0.00 C ATOM 188 O LYS A 12 15.922 25.890 -1.894 1.00 0.00 O ATOM 189 CB LYS A 12 18.480 24.258 -2.909 1.00 0.00 C ATOM 190 CG LYS A 12 19.042 23.868 -1.532 1.00 0.00 C ATOM 191 CD LYS A 12 18.535 24.744 -0.375 1.00 0.00 C ATOM 192 CE LYS A 12 19.309 24.501 0.932 1.00 0.00 C ATOM 193 NZ LYS A 12 19.089 23.147 1.501 1.00 0.00 N ATOM 0 H LYS A 12 16.407 22.283 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 12 16.535 23.519 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.984 23.666 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.724 25.302 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.783 22.829 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.130 23.925 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.621 25.794 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.476 24.544 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.374 24.641 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.012 25.249 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.637 23.046 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.078 23.017 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.398 22.428 0.816 1.00 0.00 H new ATOM 207 N GLN A 13 15.903 26.058 -4.121 1.00 0.00 N ATOM 208 CA GLN A 13 15.424 27.430 -4.216 1.00 0.00 C ATOM 209 C GLN A 13 13.960 27.565 -3.795 1.00 0.00 C ATOM 210 O GLN A 13 13.575 28.637 -3.327 1.00 0.00 O ATOM 211 CB GLN A 13 15.642 27.910 -5.660 1.00 0.00 C ATOM 212 CG GLN A 13 17.139 28.110 -5.964 1.00 0.00 C ATOM 213 CD GLN A 13 17.453 27.948 -7.451 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.475 28.912 -8.214 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.724 26.727 -7.887 1.00 0.00 N ATOM 0 H GLN A 13 15.983 25.608 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 13 15.987 28.056 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.222 27.183 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.108 28.847 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.445 29.103 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.724 27.391 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.701 25.938 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.955 26.576 -8.869 1.00 0.00 H new ATOM 224 N ASP A 14 13.150 26.505 -3.922 1.00 0.00 N ATOM 225 CA ASP A 14 11.741 26.532 -3.494 1.00 0.00 C ATOM 226 C ASP A 14 11.324 25.255 -2.749 1.00 0.00 C ATOM 227 O ASP A 14 10.156 25.061 -2.422 1.00 0.00 O ATOM 228 CB ASP A 14 10.836 26.835 -4.698 1.00 0.00 C ATOM 229 CG ASP A 14 9.425 27.291 -4.289 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.270 28.068 -3.320 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.467 26.940 -5.014 1.00 0.00 O ATOM 0 H ASP A 14 13.446 25.614 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 14 11.622 27.336 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.300 27.610 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.758 25.944 -5.320 1.00 0.00 H new ATOM 236 N ASN A 15 12.293 24.374 -2.472 1.00 0.00 N ATOM 237 CA ASN A 15 12.244 23.147 -1.667 1.00 0.00 C ATOM 238 C ASN A 15 11.475 22.012 -2.359 1.00 0.00 C ATOM 239 O ASN A 15 11.671 20.846 -2.023 1.00 0.00 O ATOM 240 CB ASN A 15 11.738 23.430 -0.235 1.00 0.00 C ATOM 241 CG ASN A 15 12.332 22.514 0.841 1.00 0.00 C ATOM 242 OD1 ASN A 15 12.618 22.963 1.947 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.545 21.237 0.570 1.00 0.00 N ATOM 0 H ASN A 15 13.231 24.519 -2.846 1.00 0.00 H new ATOM 0 HA ASN A 15 13.268 22.786 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.967 24.465 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.653 23.331 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.947 20.625 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.307 20.864 -0.349 1.00 0.00 H new ATOM 250 N ARG A 16 10.670 22.325 -3.370 1.00 0.00 N ATOM 251 CA ARG A 16 9.914 21.356 -4.163 1.00 0.00 C ATOM 252 C ARG A 16 10.861 20.565 -5.067 1.00 0.00 C ATOM 253 O ARG A 16 11.316 21.098 -6.073 1.00 0.00 O ATOM 254 CB ARG A 16 8.854 22.062 -5.022 1.00 0.00 C ATOM 255 CG ARG A 16 7.746 22.744 -4.207 1.00 0.00 C ATOM 256 CD ARG A 16 6.709 23.414 -5.117 1.00 0.00 C ATOM 257 NE ARG A 16 7.292 24.553 -5.840 1.00 0.00 N ATOM 258 CZ ARG A 16 7.740 24.594 -7.099 1.00 0.00 C ATOM 259 NH1 ARG A 16 7.584 23.596 -7.961 1.00 0.00 N ATOM 260 NH2 ARG A 16 8.379 25.684 -7.493 1.00 0.00 N ATOM 0 H ARG A 16 10.520 23.288 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 16 9.411 20.674 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.345 22.809 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.401 21.333 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.253 22.007 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.186 23.490 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.323 22.686 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.863 23.754 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 16 7.364 25.424 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.102 22.744 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.946 23.681 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.516 26.458 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.735 25.750 -8.447 1.00 0.00 H new ATOM 274 N HIS A 17 11.187 19.321 -4.730 1.00 0.00 N ATOM 275 CA HIS A 17 11.899 18.424 -5.638 1.00 0.00 C ATOM 276 C HIS A 17 10.890 17.679 -6.505 1.00 0.00 C ATOM 277 O HIS A 17 9.692 17.687 -6.230 1.00 0.00 O ATOM 278 CB HIS A 17 12.784 17.453 -4.844 1.00 0.00 C ATOM 279 CG HIS A 17 13.993 18.145 -4.284 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.229 18.456 -2.967 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.023 18.664 -5.017 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.379 19.152 -2.908 1.00 0.00 C ATOM 283 NE2 HIS A 17 15.889 19.334 -4.145 1.00 0.00 N ATOM 0 H HIS A 17 10.967 18.906 -3.824 1.00 0.00 H new ATOM 0 HA HIS A 17 12.553 19.004 -6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.206 17.013 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.099 16.634 -5.491 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.638 18.204 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.147 18.573 -6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 17 15.832 19.515 -1.997 1.00 0.00 H new ATOM 291 N VAL A 18 11.365 16.992 -7.542 1.00 0.00 N ATOM 292 CA VAL A 18 10.556 16.103 -8.353 1.00 0.00 C ATOM 293 C VAL A 18 11.412 14.888 -8.641 1.00 0.00 C ATOM 294 O VAL A 18 12.638 14.978 -8.776 1.00 0.00 O ATOM 295 CB VAL A 18 10.101 16.776 -9.665 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.026 15.970 -10.409 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.552 18.192 -9.443 1.00 0.00 C ATOM 0 H VAL A 18 12.339 17.043 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 18 9.643 15.831 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 18 11.006 16.822 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.746 16.494 -11.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.419 14.985 -10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.149 15.859 -9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.247 18.618 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.692 18.148 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.326 18.817 -8.998 1.00 0.00 H new ATOM 307 N LEU A 19 10.746 13.745 -8.684 1.00 0.00 N ATOM 308 CA LEU A 19 11.356 12.464 -8.978 1.00 0.00 C ATOM 309 C LEU A 19 10.391 11.636 -9.817 1.00 0.00 C ATOM 310 O LEU A 19 9.218 11.991 -9.958 1.00 0.00 O ATOM 311 CB LEU A 19 11.816 11.704 -7.710 1.00 0.00 C ATOM 312 CG LEU A 19 11.438 12.200 -6.297 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.786 11.085 -5.314 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.217 13.463 -5.886 1.00 0.00 C ATOM 0 H LEU A 19 9.743 13.684 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 19 12.269 12.645 -9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.444 10.683 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.904 11.651 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 19 10.377 12.451 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.532 11.400 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.222 10.188 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.853 10.870 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.913 13.769 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.286 13.249 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.005 14.267 -6.591 1.00 0.00 H new ATOM 326 N MET A 20 10.883 10.519 -10.356 1.00 0.00 N ATOM 327 CA MET A 20 10.048 9.546 -11.031 1.00 0.00 C ATOM 328 C MET A 20 9.902 8.371 -10.096 1.00 0.00 C ATOM 329 O MET A 20 10.868 7.648 -9.835 1.00 0.00 O ATOM 330 CB MET A 20 10.597 9.139 -12.397 1.00 0.00 C ATOM 331 CG MET A 20 10.113 10.161 -13.426 1.00 0.00 C ATOM 332 SD MET A 20 10.686 9.895 -15.121 1.00 0.00 S ATOM 333 CE MET A 20 10.098 8.209 -15.429 1.00 0.00 C ATOM 0 H MET A 20 11.872 10.271 -10.332 1.00 0.00 H new ATOM 0 HA MET A 20 9.073 9.980 -11.253 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.686 9.107 -12.375 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.254 8.139 -12.663 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.023 10.162 -13.426 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.432 11.152 -13.105 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.201 7.976 -16.489 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.689 7.505 -14.843 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.050 8.131 -15.140 1.00 0.00 H new ATOM 343 N LEU A 21 8.690 8.252 -9.566 1.00 0.00 N ATOM 344 CA LEU A 21 8.279 7.149 -8.721 1.00 0.00 C ATOM 345 C LEU A 21 7.945 6.007 -9.647 1.00 0.00 C ATOM 346 O LEU A 21 7.247 6.185 -10.643 1.00 0.00 O ATOM 347 CB LEU A 21 7.046 7.520 -7.882 1.00 0.00 C ATOM 348 CG LEU A 21 7.446 8.004 -6.481 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.384 9.220 -6.544 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.187 8.332 -5.673 1.00 0.00 C ATOM 0 H LEU A 21 7.952 8.939 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 21 9.073 6.886 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.480 8.301 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.389 6.655 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 21 7.995 7.203 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.644 9.532 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.291 8.952 -7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.883 10.040 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.472 8.675 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.623 9.115 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.568 7.439 -5.585 1.00 0.00 H new ATOM 362 N CYS A 22 8.449 4.832 -9.319 1.00 0.00 N ATOM 363 CA CYS A 22 8.365 3.676 -10.181 1.00 0.00 C ATOM 364 C CYS A 22 8.113 2.449 -9.325 1.00 0.00 C ATOM 365 O CYS A 22 8.334 2.484 -8.117 1.00 0.00 O ATOM 366 CB CYS A 22 9.681 3.525 -10.960 1.00 0.00 C ATOM 367 SG CYS A 22 10.100 5.065 -11.832 1.00 0.00 S ATOM 0 H CYS A 22 8.932 4.655 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 22 7.549 3.792 -10.894 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.486 3.260 -10.274 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.592 2.709 -11.677 1.00 0.00 H new ATOM 0 HG CYS A 22 10.458 5.969 -10.969 1.00 0.00 H new ATOM 373 N ASP A 23 7.658 1.366 -9.944 1.00 0.00 N ATOM 374 CA ASP A 23 7.623 0.050 -9.308 1.00 0.00 C ATOM 375 C ASP A 23 9.024 -0.263 -8.762 1.00 0.00 C ATOM 376 O ASP A 23 10.017 0.191 -9.339 1.00 0.00 O ATOM 377 CB ASP A 23 7.174 -0.985 -10.351 1.00 0.00 C ATOM 378 CG ASP A 23 7.725 -2.391 -10.081 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.188 -3.093 -9.196 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.693 -2.774 -10.773 1.00 0.00 O ATOM 0 H ASP A 23 7.303 1.373 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 23 6.918 0.025 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.085 -1.025 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.497 -0.659 -11.340 1.00 0.00 H new ATOM 385 N ALA A 24 9.121 -1.028 -7.669 1.00 0.00 N ATOM 386 CA ALA A 24 10.378 -1.545 -7.128 1.00 0.00 C ATOM 387 C ALA A 24 11.018 -2.549 -8.110 1.00 0.00 C ATOM 388 O ALA A 24 10.990 -3.763 -7.888 1.00 0.00 O ATOM 389 CB ALA A 24 10.132 -2.138 -5.733 1.00 0.00 C ATOM 0 H ALA A 24 8.306 -1.310 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 24 11.096 -0.733 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.069 -2.523 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.744 -1.363 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.408 -2.949 -5.805 1.00 0.00 H new ATOM 395 N GLY A 25 11.554 -2.036 -9.220 1.00 0.00 N ATOM 396 CA GLY A 25 12.007 -2.806 -10.375 1.00 0.00 C ATOM 397 C GLY A 25 11.833 -2.061 -11.704 1.00 0.00 C ATOM 398 O GLY A 25 12.377 -2.487 -12.724 1.00 0.00 O ATOM 0 H GLY A 25 11.689 -1.032 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.059 -3.061 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.454 -3.745 -10.417 1.00 0.00 H new ATOM 402 N GLY A 26 11.100 -0.945 -11.702 1.00 0.00 N ATOM 403 CA GLY A 26 10.909 -0.057 -12.841 1.00 0.00 C ATOM 404 C GLY A 26 9.769 -0.457 -13.784 1.00 0.00 C ATOM 405 O GLY A 26 9.627 0.187 -14.826 1.00 0.00 O ATOM 0 H GLY A 26 10.604 -0.626 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.719 0.950 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.837 -0.017 -13.412 1.00 0.00 H new ATOM 409 N ALA A 27 8.964 -1.480 -13.466 1.00 0.00 N ATOM 410 CA ALA A 27 7.932 -2.006 -14.372 1.00 0.00 C ATOM 411 C ALA A 27 6.740 -1.053 -14.598 1.00 0.00 C ATOM 412 O ALA A 27 5.953 -1.265 -15.521 1.00 0.00 O ATOM 413 CB ALA A 27 7.426 -3.351 -13.839 1.00 0.00 C ATOM 0 H ALA A 27 9.010 -1.968 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 27 8.409 -2.122 -15.345 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.661 -3.743 -14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.256 -4.056 -13.784 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.001 -3.212 -12.845 1.00 0.00 H new ATOM 419 N ILE A 28 6.604 -0.017 -13.769 1.00 0.00 N ATOM 420 CA ILE A 28 5.595 1.041 -13.809 1.00 0.00 C ATOM 421 C ILE A 28 6.393 2.308 -13.510 1.00 0.00 C ATOM 422 O ILE A 28 7.315 2.234 -12.693 1.00 0.00 O ATOM 423 CB ILE A 28 4.512 0.800 -12.719 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.721 -0.516 -12.905 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.536 1.988 -12.574 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.806 -0.567 -14.136 1.00 0.00 C ATOM 0 H ILE A 28 7.249 0.114 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 28 5.064 1.091 -14.760 1.00 0.00 H new ATOM 0 HB ILE A 28 5.081 0.707 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.431 -1.341 -12.967 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.114 -0.684 -12.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.803 1.764 -11.800 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.092 2.884 -12.299 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.024 2.156 -13.521 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.299 -1.531 -14.173 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.066 0.230 -14.072 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.403 -0.437 -15.039 1.00 0.00 H new ATOM 438 N LYS A 29 6.052 3.450 -14.117 1.00 0.00 N ATOM 439 CA LYS A 29 6.713 4.729 -13.855 1.00 0.00 C ATOM 440 C LYS A 29 5.676 5.854 -13.864 1.00 0.00 C ATOM 441 O LYS A 29 4.731 5.831 -14.656 1.00 0.00 O ATOM 442 CB LYS A 29 7.830 5.003 -14.882 1.00 0.00 C ATOM 443 CG LYS A 29 8.907 3.901 -14.942 1.00 0.00 C ATOM 444 CD LYS A 29 10.217 4.405 -15.568 1.00 0.00 C ATOM 445 CE LYS A 29 11.383 3.413 -15.417 1.00 0.00 C ATOM 446 NZ LYS A 29 11.178 2.154 -16.182 1.00 0.00 N ATOM 0 H LYS A 29 5.304 3.511 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 29 7.181 4.684 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.383 5.114 -15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.308 5.952 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.105 3.533 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.530 3.058 -15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.053 4.604 -16.627 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.492 5.352 -15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.304 3.890 -15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.514 3.173 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.101 1.726 -16.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.615 1.490 -15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.675 2.364 -17.068 1.00 0.00 H new ATOM 460 N MET A 30 5.868 6.842 -12.998 1.00 0.00 N ATOM 461 CA MET A 30 5.036 8.021 -12.780 1.00 0.00 C ATOM 462 C MET A 30 5.973 9.144 -12.312 1.00 0.00 C ATOM 463 O MET A 30 7.125 8.889 -11.966 1.00 0.00 O ATOM 464 CB MET A 30 3.910 7.719 -11.765 1.00 0.00 C ATOM 465 CG MET A 30 4.290 6.863 -10.551 1.00 0.00 C ATOM 466 SD MET A 30 2.910 6.408 -9.466 1.00 0.00 S ATOM 467 CE MET A 30 2.428 8.032 -8.826 1.00 0.00 C ATOM 0 H MET A 30 6.678 6.839 -12.378 1.00 0.00 H new ATOM 0 HA MET A 30 4.527 8.327 -13.694 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.515 8.668 -11.402 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.100 7.218 -12.295 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.769 5.950 -10.906 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.031 7.404 -9.963 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.699 7.906 -8.025 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.308 8.546 -8.438 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.987 8.623 -9.629 1.00 0.00 H new ATOM 477 N ILE A 31 5.506 10.389 -12.303 1.00 0.00 N ATOM 478 CA ILE A 31 6.268 11.569 -11.901 1.00 0.00 C ATOM 479 C ILE A 31 5.600 12.060 -10.623 1.00 0.00 C ATOM 480 O ILE A 31 4.368 12.085 -10.563 1.00 0.00 O ATOM 481 CB ILE A 31 6.245 12.639 -13.010 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.835 12.097 -14.329 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.050 13.892 -12.606 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.215 12.832 -15.514 1.00 0.00 C ATOM 0 H ILE A 31 4.552 10.613 -12.586 1.00 0.00 H new ATOM 0 HA ILE A 31 7.321 11.343 -11.733 1.00 0.00 H new ATOM 0 HB ILE A 31 5.198 12.905 -13.154 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.917 12.227 -14.334 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.642 11.027 -14.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.011 14.625 -13.412 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.621 14.324 -11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.087 13.613 -12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.635 12.445 -16.442 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.136 12.679 -15.513 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.430 13.898 -15.434 1.00 0.00 H new ATOM 496 N ALA A 32 6.374 12.465 -9.618 1.00 0.00 N ATOM 497 CA ALA A 32 5.843 13.014 -8.382 1.00 0.00 C ATOM 498 C ALA A 32 6.671 14.222 -7.980 1.00 0.00 C ATOM 499 O ALA A 32 7.901 14.157 -7.956 1.00 0.00 O ATOM 500 CB ALA A 32 5.881 11.972 -7.264 1.00 0.00 C ATOM 0 H ALA A 32 7.393 12.419 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 32 4.806 13.307 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.479 12.406 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.281 11.109 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.911 11.658 -7.094 1.00 0.00 H new ATOM 506 N GLU A 33 5.986 15.310 -7.653 1.00 0.00 N ATOM 507 CA GLU A 33 6.587 16.467 -7.026 1.00 0.00 C ATOM 508 C GLU A 33 6.483 16.228 -5.521 1.00 0.00 C ATOM 509 O GLU A 33 5.457 15.755 -5.014 1.00 0.00 O ATOM 510 CB GLU A 33 5.836 17.739 -7.446 1.00 0.00 C ATOM 511 CG GLU A 33 6.453 19.007 -6.840 1.00 0.00 C ATOM 512 CD GLU A 33 5.685 20.280 -7.226 1.00 0.00 C ATOM 513 OE1 GLU A 33 4.491 20.413 -6.878 1.00 0.00 O ATOM 514 OE2 GLU A 33 6.294 21.177 -7.851 1.00 0.00 O ATOM 0 H GLU A 33 4.985 15.409 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 33 7.627 16.604 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.841 17.819 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.794 17.662 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.472 18.914 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.488 19.097 -7.171 1.00 0.00 H new ATOM 521 N VAL A 34 7.545 16.565 -4.804 1.00 0.00 N ATOM 522 CA VAL A 34 7.710 16.295 -3.394 1.00 0.00 C ATOM 523 C VAL A 34 8.383 17.508 -2.743 1.00 0.00 C ATOM 524 O VAL A 34 8.837 18.421 -3.430 1.00 0.00 O ATOM 525 CB VAL A 34 8.523 14.992 -3.195 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.941 13.769 -3.926 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.993 15.125 -3.618 1.00 0.00 C ATOM 0 H VAL A 34 8.343 17.053 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 34 6.744 16.139 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 34 8.457 14.829 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.569 12.898 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.932 13.575 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.910 13.966 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.506 14.178 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.045 15.387 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.473 15.905 -3.027 1.00 0.00 H new ATOM 537 N LYS A 35 8.501 17.513 -1.422 1.00 0.00 N ATOM 538 CA LYS A 35 9.310 18.443 -0.650 1.00 0.00 C ATOM 539 C LYS A 35 10.168 17.555 0.238 1.00 0.00 C ATOM 540 O LYS A 35 9.696 16.509 0.688 1.00 0.00 O ATOM 541 CB LYS A 35 8.409 19.394 0.153 1.00 0.00 C ATOM 542 CG LYS A 35 9.202 20.593 0.689 1.00 0.00 C ATOM 543 CD LYS A 35 8.345 21.584 1.494 1.00 0.00 C ATOM 544 CE LYS A 35 7.301 22.302 0.624 1.00 0.00 C ATOM 545 NZ LYS A 35 6.526 23.308 1.395 1.00 0.00 N ATOM 0 H LYS A 35 8.013 16.838 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 35 9.931 19.092 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.594 19.747 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.956 18.854 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.013 20.229 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.661 21.119 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.838 21.051 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.994 22.324 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.801 22.793 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.618 21.567 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.834 23.767 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.027 22.837 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.174 24.025 1.780 1.00 0.00 H new ATOM 559 N SER A 36 11.401 17.957 0.503 1.00 0.00 N ATOM 560 CA SER A 36 12.389 17.079 1.123 1.00 0.00 C ATOM 561 C SER A 36 13.146 17.812 2.227 1.00 0.00 C ATOM 562 O SER A 36 13.318 19.032 2.157 1.00 0.00 O ATOM 563 CB SER A 36 13.360 16.554 0.048 1.00 0.00 C ATOM 564 OG SER A 36 12.751 16.453 -1.235 1.00 0.00 O ATOM 0 H SER A 36 11.747 18.894 0.297 1.00 0.00 H new ATOM 0 HA SER A 36 11.875 16.232 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.222 17.218 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.733 15.575 0.347 1.00 0.00 H new ATOM 0 HG SER A 36 13.406 16.118 -1.882 1.00 0.00 H new ATOM 570 N ASP A 37 13.643 17.062 3.212 1.00 0.00 N ATOM 571 CA ASP A 37 14.512 17.572 4.283 1.00 0.00 C ATOM 572 C ASP A 37 15.887 16.881 4.255 1.00 0.00 C ATOM 573 O ASP A 37 16.762 17.165 5.074 1.00 0.00 O ATOM 574 CB ASP A 37 13.806 17.404 5.636 1.00 0.00 C ATOM 575 CG ASP A 37 14.564 18.091 6.787 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.832 19.312 6.701 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.830 17.438 7.821 1.00 0.00 O ATOM 0 H ASP A 37 13.451 16.063 3.292 1.00 0.00 H new ATOM 0 HA ASP A 37 14.697 18.635 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.800 17.817 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.701 16.342 5.858 1.00 0.00 H new ATOM 582 N PHE A 38 16.086 15.990 3.279 1.00 0.00 N ATOM 583 CA PHE A 38 17.299 15.234 2.999 1.00 0.00 C ATOM 584 C PHE A 38 17.399 15.118 1.471 1.00 0.00 C ATOM 585 O PHE A 38 16.391 15.284 0.774 1.00 0.00 O ATOM 586 CB PHE A 38 17.212 13.828 3.621 1.00 0.00 C ATOM 587 CG PHE A 38 16.905 13.769 5.107 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.575 13.894 5.556 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.938 13.574 6.045 1.00 0.00 C ATOM 590 CE1 PHE A 38 15.281 13.853 6.929 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.643 13.518 7.419 1.00 0.00 C ATOM 592 CZ PHE A 38 16.314 13.660 7.861 1.00 0.00 C ATOM 0 H PHE A 38 15.343 15.765 2.617 1.00 0.00 H new ATOM 0 HA PHE A 38 18.172 15.731 3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.444 13.266 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.159 13.317 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.777 14.022 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.959 13.467 5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 38 14.262 13.970 7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.437 13.366 8.136 1.00 0.00 H new ATOM 0 HZ PHE A 38 16.089 13.621 8.917 1.00 0.00 H new ATOM 602 N ALA A 39 18.592 14.826 0.948 1.00 0.00 N ATOM 603 CA ALA A 39 18.783 14.573 -0.475 1.00 0.00 C ATOM 604 C ALA A 39 18.023 13.310 -0.901 1.00 0.00 C ATOM 605 O ALA A 39 17.875 12.373 -0.113 1.00 0.00 O ATOM 606 CB ALA A 39 20.279 14.432 -0.781 1.00 0.00 C ATOM 0 H ALA A 39 19.447 14.759 1.500 1.00 0.00 H new ATOM 0 HA ALA A 39 18.386 15.415 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.416 14.243 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.795 15.352 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.691 13.601 -0.209 1.00 0.00 H new ATOM 612 N VAL A 40 17.614 13.257 -2.170 1.00 0.00 N ATOM 613 CA VAL A 40 16.974 12.104 -2.799 1.00 0.00 C ATOM 614 C VAL A 40 17.584 11.995 -4.199 1.00 0.00 C ATOM 615 O VAL A 40 17.818 13.022 -4.845 1.00 0.00 O ATOM 616 CB VAL A 40 15.437 12.281 -2.867 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.769 10.938 -3.192 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.813 12.817 -1.568 1.00 0.00 C ATOM 0 H VAL A 40 17.724 14.044 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 40 17.144 11.195 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 40 15.262 13.021 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.688 11.071 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.131 10.575 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.013 10.213 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.735 12.913 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.022 12.125 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.240 13.793 -1.335 1.00 0.00 H new ATOM 628 N LYS A 41 17.875 10.778 -4.662 1.00 0.00 N ATOM 629 CA LYS A 41 18.552 10.540 -5.934 1.00 0.00 C ATOM 630 C LYS A 41 18.119 9.204 -6.536 1.00 0.00 C ATOM 631 O LYS A 41 17.421 8.418 -5.900 1.00 0.00 O ATOM 632 CB LYS A 41 20.086 10.705 -5.796 1.00 0.00 C ATOM 633 CG LYS A 41 20.743 10.148 -4.522 1.00 0.00 C ATOM 634 CD LYS A 41 20.616 8.625 -4.389 1.00 0.00 C ATOM 635 CE LYS A 41 21.127 8.125 -3.031 1.00 0.00 C ATOM 636 NZ LYS A 41 20.239 8.537 -1.915 1.00 0.00 N ATOM 0 H LYS A 41 17.644 9.922 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 41 18.245 11.304 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.556 10.226 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.318 11.768 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.799 10.419 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.289 10.621 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.573 8.335 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.178 8.143 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.203 7.038 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.131 8.512 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.804 8.668 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.767 9.431 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.523 7.801 -1.751 1.00 0.00 H new ATOM 650 N VAL A 42 18.513 8.955 -7.781 1.00 0.00 N ATOM 651 CA VAL A 42 18.225 7.719 -8.492 1.00 0.00 C ATOM 652 C VAL A 42 18.726 6.499 -7.713 1.00 0.00 C ATOM 653 O VAL A 42 19.754 6.545 -7.031 1.00 0.00 O ATOM 654 CB VAL A 42 18.803 7.796 -9.919 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.484 6.529 -10.722 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.194 9.012 -10.628 1.00 0.00 C ATOM 0 H VAL A 42 19.052 9.622 -8.333 1.00 0.00 H new ATOM 0 HA VAL A 42 17.145 7.595 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 42 19.887 7.888 -9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.906 6.617 -11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.915 5.662 -10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.403 6.406 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.593 9.081 -11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.110 8.903 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.445 9.918 -10.077 1.00 0.00 H new ATOM 666 N GLY A 43 17.995 5.394 -7.867 1.00 0.00 N ATOM 667 CA GLY A 43 18.224 4.150 -7.168 1.00 0.00 C ATOM 668 C GLY A 43 17.787 4.268 -5.713 1.00 0.00 C ATOM 669 O GLY A 43 18.380 3.590 -4.872 1.00 0.00 O ATOM 0 H GLY A 43 17.202 5.350 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.673 3.345 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.281 3.888 -7.216 1.00 0.00 H new ATOM 673 N ASP A 44 16.801 5.125 -5.393 1.00 0.00 N ATOM 674 CA ASP A 44 16.373 5.254 -3.976 1.00 0.00 C ATOM 675 C ASP A 44 15.076 4.490 -3.792 1.00 0.00 C ATOM 676 O ASP A 44 14.223 4.527 -4.674 1.00 0.00 O ATOM 677 CB ASP A 44 16.143 6.699 -3.474 1.00 0.00 C ATOM 678 CG ASP A 44 17.357 7.371 -2.824 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.179 6.672 -2.194 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.486 8.614 -2.847 1.00 0.00 O ATOM 0 H ASP A 44 16.301 5.717 -6.057 1.00 0.00 H new ATOM 0 HA ASP A 44 17.201 4.857 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.818 7.310 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.325 6.689 -2.753 1.00 0.00 H new ATOM 685 N LEU A 45 14.882 3.832 -2.647 1.00 0.00 N ATOM 686 CA LEU A 45 13.572 3.288 -2.309 1.00 0.00 C ATOM 687 C LEU A 45 12.759 4.410 -1.665 1.00 0.00 C ATOM 688 O LEU A 45 13.328 5.261 -0.976 1.00 0.00 O ATOM 689 CB LEU A 45 13.733 2.138 -1.303 1.00 0.00 C ATOM 690 CG LEU A 45 12.469 1.280 -1.095 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.207 0.346 -2.283 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.633 0.444 0.178 1.00 0.00 C ATOM 0 H LEU A 45 15.607 3.666 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 45 13.074 2.909 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.543 1.491 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.035 2.554 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 45 11.617 1.954 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.307 -0.240 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.071 0.938 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.056 -0.325 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.742 -0.165 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.503 -0.205 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.771 1.106 1.033 1.00 0.00 H new ATOM 704 N LEU A 46 11.438 4.367 -1.823 1.00 0.00 N ATOM 705 CA LEU A 46 10.487 5.188 -1.096 1.00 0.00 C ATOM 706 C LEU A 46 9.448 4.232 -0.539 1.00 0.00 C ATOM 707 O LEU A 46 8.730 3.592 -1.307 1.00 0.00 O ATOM 708 CB LEU A 46 9.796 6.227 -1.999 1.00 0.00 C ATOM 709 CG LEU A 46 10.710 7.309 -2.585 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.887 8.253 -3.469 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.411 8.130 -1.506 1.00 0.00 C ATOM 0 H LEU A 46 10.990 3.735 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 46 11.003 5.751 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.312 5.701 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.008 6.714 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 46 11.477 6.799 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.538 9.022 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.431 7.686 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.106 8.723 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.046 8.882 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.665 8.623 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.023 7.472 -0.889 1.00 0.00 H new ATOM 723 N SER A 47 9.331 4.178 0.781 1.00 0.00 N ATOM 724 CA SER A 47 8.309 3.382 1.464 1.00 0.00 C ATOM 725 C SER A 47 7.444 4.319 2.313 1.00 0.00 C ATOM 726 O SER A 47 7.983 5.264 2.895 1.00 0.00 O ATOM 727 CB SER A 47 8.941 2.282 2.323 1.00 0.00 C ATOM 728 OG SER A 47 9.954 1.597 1.610 1.00 0.00 O ATOM 0 H SER A 47 9.945 4.688 1.416 1.00 0.00 H new ATOM 0 HA SER A 47 7.685 2.882 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.362 2.720 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.173 1.576 2.638 1.00 0.00 H new ATOM 0 HG SER A 47 10.342 0.901 2.181 1.00 0.00 H new ATOM 734 N PRO A 48 6.115 4.131 2.352 1.00 0.00 N ATOM 735 CA PRO A 48 5.217 5.101 2.957 1.00 0.00 C ATOM 736 C PRO A 48 5.383 5.145 4.478 1.00 0.00 C ATOM 737 O PRO A 48 5.716 4.149 5.126 1.00 0.00 O ATOM 738 CB PRO A 48 3.803 4.685 2.538 1.00 0.00 C ATOM 739 CG PRO A 48 3.931 3.190 2.255 1.00 0.00 C ATOM 740 CD PRO A 48 5.362 3.047 1.740 1.00 0.00 C ATOM 0 HA PRO A 48 5.436 6.114 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.078 4.882 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.470 5.232 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.766 2.596 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.203 2.858 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.780 2.078 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.395 3.114 0.653 1.00 0.00 H new ATOM 748 N LEU A 49 5.078 6.314 5.035 1.00 0.00 N ATOM 749 CA LEU A 49 5.032 6.609 6.468 1.00 0.00 C ATOM 750 C LEU A 49 3.683 7.258 6.790 1.00 0.00 C ATOM 751 O LEU A 49 3.081 6.962 7.822 1.00 0.00 O ATOM 752 CB LEU A 49 6.164 7.581 6.846 1.00 0.00 C ATOM 753 CG LEU A 49 7.597 7.065 6.628 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.578 8.215 6.874 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.938 5.895 7.555 1.00 0.00 C ATOM 0 H LEU A 49 4.843 7.128 4.468 1.00 0.00 H new ATOM 0 HA LEU A 49 5.155 5.686 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.037 8.497 6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.051 7.848 7.897 1.00 0.00 H new ATOM 0 HG LEU A 49 7.674 6.701 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.598 7.862 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.368 9.027 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.467 8.575 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.959 5.565 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.848 6.215 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.250 5.071 7.369 1.00 0.00 H new ATOM 767 N GLN A 50 3.198 8.095 5.871 1.00 0.00 N ATOM 768 CA GLN A 50 1.871 8.690 5.807 1.00 0.00 C ATOM 769 C GLN A 50 1.432 8.624 4.340 1.00 0.00 C ATOM 770 O GLN A 50 2.159 8.118 3.482 1.00 0.00 O ATOM 771 CB GLN A 50 1.938 10.148 6.313 1.00 0.00 C ATOM 772 CG GLN A 50 1.715 10.242 7.824 1.00 0.00 C ATOM 773 CD GLN A 50 2.354 11.473 8.471 1.00 0.00 C ATOM 774 OE1 GLN A 50 2.994 11.376 9.515 1.00 0.00 O ATOM 775 NE2 GLN A 50 2.223 12.652 7.883 1.00 0.00 N ATOM 0 H GLN A 50 3.777 8.397 5.087 1.00 0.00 H new ATOM 0 HA GLN A 50 1.154 8.162 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.910 10.574 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.186 10.745 5.798 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.643 10.254 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.117 9.346 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.692 12.733 7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.653 13.479 8.297 1.00 0.00 H new ATOM 784 N ASN A 51 0.256 9.178 4.041 1.00 0.00 N ATOM 785 CA ASN A 51 -0.187 9.390 2.667 1.00 0.00 C ATOM 786 C ASN A 51 0.833 10.217 1.876 1.00 0.00 C ATOM 787 O ASN A 51 1.116 9.906 0.718 1.00 0.00 O ATOM 788 CB ASN A 51 -1.547 10.097 2.683 1.00 0.00 C ATOM 789 CG ASN A 51 -1.990 10.453 1.264 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.397 9.588 0.496 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.908 11.717 0.881 1.00 0.00 N ATOM 0 H ASN A 51 -0.413 9.491 4.745 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.279 8.422 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.292 9.453 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.484 11.002 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.185 11.983 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.568 12.426 1.531 1.00 0.00 H new ATOM 798 N ALA A 52 1.388 11.259 2.507 1.00 0.00 N ATOM 799 CA ALA A 52 2.340 12.162 1.912 1.00 0.00 C ATOM 800 C ALA A 52 3.776 11.774 2.260 1.00 0.00 C ATOM 801 O ALA A 52 4.621 11.808 1.375 1.00 0.00 O ATOM 802 CB ALA A 52 2.028 13.585 2.388 1.00 0.00 C ATOM 0 H ALA A 52 1.170 11.491 3.476 1.00 0.00 H new ATOM 0 HA ALA A 52 2.254 12.108 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.741 14.281 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.018 13.857 2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.103 13.630 3.474 1.00 0.00 H new ATOM 808 N LEU A 53 4.086 11.445 3.521 1.00 0.00 N ATOM 809 CA LEU A 53 5.473 11.166 3.896 1.00 0.00 C ATOM 810 C LEU A 53 5.865 9.780 3.418 1.00 0.00 C ATOM 811 O LEU A 53 5.142 8.810 3.657 1.00 0.00 O ATOM 812 CB LEU A 53 5.772 11.249 5.405 1.00 0.00 C ATOM 813 CG LEU A 53 5.873 12.668 5.989 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.969 12.576 7.515 1.00 0.00 C ATOM 815 CD2 LEU A 53 7.112 13.414 5.475 1.00 0.00 C ATOM 0 H LEU A 53 3.411 11.367 4.281 1.00 0.00 H new ATOM 0 HA LEU A 53 6.055 11.952 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.991 10.710 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.710 10.728 5.600 1.00 0.00 H new ATOM 0 HG LEU A 53 4.984 13.217 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.041 13.579 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.080 12.081 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.854 12.003 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.144 14.412 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.010 12.865 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.063 13.496 4.389 1.00 0.00 H new ATOM 827 N TYR A 54 7.064 9.692 2.865 1.00 0.00 N ATOM 828 CA TYR A 54 7.755 8.462 2.539 1.00 0.00 C ATOM 829 C TYR A 54 9.154 8.572 3.142 1.00 0.00 C ATOM 830 O TYR A 54 9.705 9.671 3.271 1.00 0.00 O ATOM 831 CB TYR A 54 7.828 8.278 1.014 1.00 0.00 C ATOM 832 CG TYR A 54 6.550 7.776 0.359 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.447 8.631 0.172 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.463 6.441 -0.075 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.266 8.154 -0.428 1.00 0.00 C ATOM 836 CE2 TYR A 54 5.287 5.950 -0.661 1.00 0.00 C ATOM 837 CZ TYR A 54 4.185 6.808 -0.854 1.00 0.00 C ATOM 838 OH TYR A 54 3.069 6.321 -1.467 1.00 0.00 O ATOM 0 H TYR A 54 7.606 10.521 2.620 1.00 0.00 H new ATOM 0 HA TYR A 54 7.230 7.596 2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.098 9.232 0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.632 7.578 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.507 9.661 0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.313 5.785 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.423 8.815 -0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.226 4.915 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 54 2.627 7.042 -1.962 1.00 0.00 H new ATOM 848 N CYS A 55 9.722 7.437 3.542 1.00 0.00 N ATOM 849 CA CYS A 55 11.132 7.369 3.888 1.00 0.00 C ATOM 850 C CYS A 55 11.962 7.488 2.603 1.00 0.00 C ATOM 851 O CYS A 55 11.419 7.327 1.509 1.00 0.00 O ATOM 852 CB CYS A 55 11.432 6.063 4.628 1.00 0.00 C ATOM 853 SG CYS A 55 11.278 4.608 3.558 1.00 0.00 S ATOM 0 H CYS A 55 9.223 6.552 3.633 1.00 0.00 H new ATOM 0 HA CYS A 55 11.395 8.190 4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.442 6.104 5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.750 5.963 5.473 1.00 0.00 H new ATOM 0 HG CYS A 55 11.546 3.536 4.242 1.00 0.00 H new ATOM 859 N ILE A 56 13.273 7.690 2.726 1.00 0.00 N ATOM 860 CA ILE A 56 14.203 7.703 1.600 1.00 0.00 C ATOM 861 C ILE A 56 15.181 6.542 1.765 1.00 0.00 C ATOM 862 O ILE A 56 15.548 6.155 2.879 1.00 0.00 O ATOM 863 CB ILE A 56 14.962 9.053 1.511 1.00 0.00 C ATOM 864 CG1 ILE A 56 14.007 10.268 1.424 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.932 9.084 0.303 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.676 11.554 1.919 1.00 0.00 C ATOM 0 H ILE A 56 13.725 7.852 3.626 1.00 0.00 H new ATOM 0 HA ILE A 56 13.645 7.589 0.670 1.00 0.00 H new ATOM 0 HB ILE A 56 15.533 9.131 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.682 10.401 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.114 10.071 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.446 10.045 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.665 8.284 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.369 8.945 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.973 12.383 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.978 11.430 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.554 11.765 1.309 1.00 0.00 H new ATOM 878 N ASN A 57 15.659 6.055 0.622 1.00 0.00 N ATOM 879 CA ASN A 57 16.769 5.134 0.422 1.00 0.00 C ATOM 880 C ASN A 57 16.473 3.725 0.886 1.00 0.00 C ATOM 881 O ASN A 57 16.436 2.828 0.046 1.00 0.00 O ATOM 882 CB ASN A 57 18.065 5.649 1.070 1.00 0.00 C ATOM 883 CG ASN A 57 19.229 4.788 0.613 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.746 3.956 1.350 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.634 4.968 -0.628 1.00 0.00 N ATOM 0 H ASN A 57 15.238 6.322 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 57 16.913 5.089 -0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.236 6.689 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.979 5.619 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.399 4.406 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.182 5.669 -1.215 1.00 0.00 H new ATOM 892 N ARG A 58 16.280 3.559 2.196 1.00 0.00 N ATOM 893 CA ARG A 58 16.051 2.305 2.902 1.00 0.00 C ATOM 894 C ARG A 58 15.688 2.532 4.377 1.00 0.00 C ATOM 895 O ARG A 58 15.456 1.542 5.072 1.00 0.00 O ATOM 896 CB ARG A 58 17.308 1.408 2.807 1.00 0.00 C ATOM 897 CG ARG A 58 18.495 1.892 3.663 1.00 0.00 C ATOM 898 CD ARG A 58 19.777 1.137 3.294 1.00 0.00 C ATOM 899 NE ARG A 58 20.862 1.393 4.259 1.00 0.00 N ATOM 900 CZ ARG A 58 21.730 2.414 4.241 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.652 3.369 3.319 1.00 0.00 N ATOM 902 NH2 ARG A 58 22.690 2.469 5.160 1.00 0.00 N ATOM 0 H ARG A 58 16.280 4.356 2.833 1.00 0.00 H new ATOM 0 HA ARG A 58 15.205 1.811 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 58 17.043 0.396 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.624 1.354 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.643 2.962 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.272 1.743 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.570 0.067 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 58 20.100 1.436 2.297 1.00 0.00 H new ATOM 0 HE ARG A 58 20.963 0.722 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.922 3.333 2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.323 4.138 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.760 1.739 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 58 23.356 3.241 5.156 1.00 0.00 H new ATOM 916 N GLU A 59 15.677 3.772 4.890 1.00 0.00 N ATOM 917 CA GLU A 59 15.592 4.019 6.329 1.00 0.00 C ATOM 918 C GLU A 59 14.645 5.173 6.646 1.00 0.00 C ATOM 919 O GLU A 59 14.619 6.197 5.965 1.00 0.00 O ATOM 920 CB GLU A 59 16.994 4.243 6.922 1.00 0.00 C ATOM 921 CG GLU A 59 17.722 5.506 6.428 1.00 0.00 C ATOM 922 CD GLU A 59 19.173 5.551 6.943 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.386 5.746 8.161 1.00 0.00 O ATOM 924 OE2 GLU A 59 20.112 5.390 6.132 1.00 0.00 O ATOM 0 H GLU A 59 15.726 4.619 4.323 1.00 0.00 H new ATOM 0 HA GLU A 59 15.170 3.132 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.908 4.294 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.611 3.374 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.719 5.527 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.186 6.393 6.765 1.00 0.00 H new ATOM 931 N LYS A 60 13.865 4.988 7.712 1.00 0.00 N ATOM 932 CA LYS A 60 12.738 5.849 8.075 1.00 0.00 C ATOM 933 C LYS A 60 13.158 7.241 8.539 1.00 0.00 C ATOM 934 O LYS A 60 12.333 8.151 8.512 1.00 0.00 O ATOM 935 CB LYS A 60 11.865 5.172 9.146 1.00 0.00 C ATOM 936 CG LYS A 60 11.254 3.847 8.658 1.00 0.00 C ATOM 937 CD LYS A 60 10.265 3.282 9.687 1.00 0.00 C ATOM 938 CE LYS A 60 9.666 1.965 9.172 1.00 0.00 C ATOM 939 NZ LYS A 60 8.708 1.369 10.138 1.00 0.00 N ATOM 0 H LYS A 60 14.003 4.215 8.364 1.00 0.00 H new ATOM 0 HA LYS A 60 12.159 5.990 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.467 4.985 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.064 5.851 9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.744 4.006 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.048 3.122 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.772 3.113 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.470 4.004 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.159 2.145 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.469 1.255 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.329 0.482 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.196 1.173 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.927 2.034 10.308 1.00 0.00 H new ATOM 953 N LEU A 61 14.406 7.414 8.984 1.00 0.00 N ATOM 954 CA LEU A 61 14.886 8.681 9.525 1.00 0.00 C ATOM 955 C LEU A 61 14.906 9.761 8.450 1.00 0.00 C ATOM 956 O LEU A 61 14.626 10.924 8.734 1.00 0.00 O ATOM 957 CB LEU A 61 16.309 8.525 10.091 1.00 0.00 C ATOM 958 CG LEU A 61 16.489 7.414 11.141 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.926 7.444 11.662 1.00 0.00 C ATOM 960 CD2 LEU A 61 15.495 7.546 12.299 1.00 0.00 C ATOM 0 H LEU A 61 15.110 6.676 8.978 1.00 0.00 H new ATOM 0 HA LEU A 61 14.202 8.974 10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.991 8.331 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.610 9.473 10.536 1.00 0.00 H new ATOM 0 HG LEU A 61 16.288 6.456 10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.060 6.659 12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.617 7.281 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.128 8.414 12.117 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.661 6.740 13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.639 8.506 12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.477 7.486 11.914 1.00 0.00 H new ATOM 972 N HIS A 62 15.264 9.373 7.227 1.00 0.00 N ATOM 973 CA HIS A 62 15.349 10.274 6.092 1.00 0.00 C ATOM 974 C HIS A 62 13.964 10.323 5.456 1.00 0.00 C ATOM 975 O HIS A 62 13.448 9.273 5.075 1.00 0.00 O ATOM 976 CB HIS A 62 16.396 9.750 5.096 1.00 0.00 C ATOM 977 CG HIS A 62 17.792 9.555 5.650 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.804 8.847 5.040 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.297 10.028 6.835 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.886 8.893 5.835 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.628 9.605 6.947 1.00 0.00 N ATOM 0 H HIS A 62 15.506 8.409 6.999 1.00 0.00 H new ATOM 0 HA HIS A 62 15.657 11.274 6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.047 8.797 4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.452 10.444 4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.760 10.624 7.558 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.833 8.423 5.612 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.271 9.798 7.715 1.00 0.00 H new ATOM 989 N THR A 63 13.355 11.502 5.327 1.00 0.00 N ATOM 990 CA THR A 63 11.967 11.631 4.913 1.00 0.00 C ATOM 991 C THR A 63 11.797 12.642 3.776 1.00 0.00 C ATOM 992 O THR A 63 12.567 13.598 3.624 1.00 0.00 O ATOM 993 CB THR A 63 11.127 12.006 6.147 1.00 0.00 C ATOM 994 OG1 THR A 63 11.692 13.125 6.811 1.00 0.00 O ATOM 995 CG2 THR A 63 11.082 10.846 7.143 1.00 0.00 C ATOM 0 H THR A 63 13.816 12.394 5.508 1.00 0.00 H new ATOM 0 HA THR A 63 11.619 10.679 4.512 1.00 0.00 H new ATOM 0 HB THR A 63 10.121 12.240 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.146 13.352 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.483 11.132 8.008 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.636 9.974 6.665 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.095 10.605 7.466 1.00 0.00 H new ATOM 1003 N VAL A 64 10.756 12.420 2.982 1.00 0.00 N ATOM 1004 CA VAL A 64 10.338 13.239 1.853 1.00 0.00 C ATOM 1005 C VAL A 64 8.804 13.224 1.851 1.00 0.00 C ATOM 1006 O VAL A 64 8.204 12.247 2.301 1.00 0.00 O ATOM 1007 CB VAL A 64 10.995 12.667 0.574 1.00 0.00 C ATOM 1008 CG1 VAL A 64 10.665 11.193 0.293 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.663 13.479 -0.675 1.00 0.00 C ATOM 0 H VAL A 64 10.145 11.615 3.118 1.00 0.00 H new ATOM 0 HA VAL A 64 10.657 14.280 1.911 1.00 0.00 H new ATOM 0 HB VAL A 64 12.061 12.739 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.167 10.876 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.006 10.579 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.588 11.078 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.151 13.031 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.584 13.485 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.017 14.502 -0.548 1.00 0.00 H new ATOM 1019 N LYS A 65 8.152 14.292 1.382 1.00 0.00 N ATOM 1020 CA LYS A 65 6.708 14.484 1.489 1.00 0.00 C ATOM 1021 C LYS A 65 6.152 14.718 0.094 1.00 0.00 C ATOM 1022 O LYS A 65 6.619 15.618 -0.597 1.00 0.00 O ATOM 1023 CB LYS A 65 6.433 15.685 2.406 1.00 0.00 C ATOM 1024 CG LYS A 65 4.945 15.802 2.767 1.00 0.00 C ATOM 1025 CD LYS A 65 4.624 17.026 3.637 1.00 0.00 C ATOM 1026 CE LYS A 65 5.274 16.949 5.029 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.907 18.105 5.884 1.00 0.00 N ATOM 0 H LYS A 65 8.626 15.061 0.908 1.00 0.00 H new ATOM 0 HA LYS A 65 6.224 13.607 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.021 15.587 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.760 16.600 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.359 15.854 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.634 14.900 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.967 17.928 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.543 17.114 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.969 16.025 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.358 16.909 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.368 18.011 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.221 18.986 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.875 18.129 6.011 1.00 0.00 H new ATOM 1041 N VAL A 66 5.180 13.921 -0.327 1.00 0.00 N ATOM 1042 CA VAL A 66 4.560 14.038 -1.641 1.00 0.00 C ATOM 1043 C VAL A 66 3.674 15.283 -1.644 1.00 0.00 C ATOM 1044 O VAL A 66 3.006 15.571 -0.649 1.00 0.00 O ATOM 1045 CB VAL A 66 3.788 12.741 -1.974 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.019 12.849 -3.303 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.761 11.556 -2.096 1.00 0.00 C ATOM 0 H VAL A 66 4.795 13.166 0.240 1.00 0.00 H new ATOM 0 HA VAL A 66 5.309 14.158 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 66 3.080 12.586 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.492 11.914 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.299 13.665 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.720 13.044 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.203 10.650 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.480 11.756 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.291 11.422 -1.153 1.00 0.00 H new ATOM 1057 N LEU A 67 3.647 15.993 -2.776 1.00 0.00 N ATOM 1058 CA LEU A 67 2.818 17.178 -2.975 1.00 0.00 C ATOM 1059 C LEU A 67 1.788 16.901 -4.074 1.00 0.00 C ATOM 1060 O LEU A 67 0.606 17.178 -3.868 1.00 0.00 O ATOM 1061 CB LEU A 67 3.687 18.398 -3.339 1.00 0.00 C ATOM 1062 CG LEU A 67 4.835 18.724 -2.361 1.00 0.00 C ATOM 1063 CD1 LEU A 67 5.605 19.945 -2.869 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.378 18.986 -0.922 1.00 0.00 C ATOM 0 H LEU A 67 4.211 15.754 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 67 2.296 17.407 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.114 18.233 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.040 19.272 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 67 5.467 17.836 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.416 20.176 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.017 19.731 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.931 20.799 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.245 19.207 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.694 19.834 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.870 18.103 -0.535 1.00 0.00 H new ATOM 1076 N SER A 68 2.215 16.301 -5.192 1.00 0.00 N ATOM 1077 CA SER A 68 1.387 15.973 -6.357 1.00 0.00 C ATOM 1078 C SER A 68 2.067 14.832 -7.122 1.00 0.00 C ATOM 1079 O SER A 68 3.287 14.684 -7.020 1.00 0.00 O ATOM 1080 CB SER A 68 1.286 17.191 -7.295 1.00 0.00 C ATOM 1081 OG SER A 68 0.733 18.334 -6.660 1.00 0.00 O ATOM 0 H SER A 68 3.188 16.019 -5.314 1.00 0.00 H new ATOM 0 HA SER A 68 0.389 15.687 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.279 17.436 -7.672 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.673 16.929 -8.158 1.00 0.00 H new ATOM 0 HG SER A 68 0.694 19.076 -7.299 1.00 0.00 H new ATOM 1087 N ALA A 69 1.327 14.059 -7.927 1.00 0.00 N ATOM 1088 CA ALA A 69 1.908 13.080 -8.842 1.00 0.00 C ATOM 1089 C ALA A 69 0.965 12.790 -10.014 1.00 0.00 C ATOM 1090 O ALA A 69 -0.249 12.989 -9.899 1.00 0.00 O ATOM 1091 CB ALA A 69 2.232 11.786 -8.084 1.00 0.00 C ATOM 0 H ALA A 69 0.308 14.098 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 69 2.829 13.496 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.665 11.060 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.944 12.000 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.318 11.378 -7.654 1.00 0.00 H new ATOM 1097 N SER A 70 1.529 12.291 -11.117 1.00 0.00 N ATOM 1098 CA SER A 70 0.840 11.980 -12.371 1.00 0.00 C ATOM 1099 C SER A 70 1.591 10.859 -13.105 1.00 0.00 C ATOM 1100 O SER A 70 2.770 10.627 -12.837 1.00 0.00 O ATOM 1101 CB SER A 70 0.811 13.230 -13.271 1.00 0.00 C ATOM 1102 OG SER A 70 0.291 14.376 -12.610 1.00 0.00 O ATOM 0 H SER A 70 2.527 12.083 -11.161 1.00 0.00 H new ATOM 0 HA SER A 70 -0.178 11.662 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.822 13.445 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.208 13.021 -14.154 1.00 0.00 H new ATOM 0 HG SER A 70 0.297 15.139 -13.225 1.00 0.00 H new ATOM 1108 N SER A 71 0.944 10.179 -14.054 1.00 0.00 N ATOM 1109 CA SER A 71 1.574 9.207 -14.946 1.00 0.00 C ATOM 1110 C SER A 71 2.742 9.842 -15.720 1.00 0.00 C ATOM 1111 O SER A 71 2.749 11.053 -15.967 1.00 0.00 O ATOM 1112 CB SER A 71 0.514 8.660 -15.912 1.00 0.00 C ATOM 1113 OG SER A 71 -0.653 8.256 -15.206 1.00 0.00 O ATOM 0 H SER A 71 -0.055 10.292 -14.226 1.00 0.00 H new ATOM 0 HA SER A 71 1.985 8.389 -14.354 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.255 9.424 -16.645 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.921 7.813 -16.465 1.00 0.00 H new ATOM 0 HG SER A 71 -1.316 7.912 -15.840 1.00 0.00 H new ATOM 1119 N TYR A 72 3.733 9.031 -16.103 1.00 0.00 N ATOM 1120 CA TYR A 72 4.925 9.524 -16.785 1.00 0.00 C ATOM 1121 C TYR A 72 4.589 10.063 -18.179 1.00 0.00 C ATOM 1122 O TYR A 72 3.737 9.521 -18.887 1.00 0.00 O ATOM 1123 CB TYR A 72 5.987 8.416 -16.885 1.00 0.00 C ATOM 1124 CG TYR A 72 7.198 8.793 -17.729 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.035 9.852 -17.330 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.464 8.119 -18.938 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.135 10.228 -18.119 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.572 8.483 -19.727 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.421 9.535 -19.313 1.00 0.00 C ATOM 1130 OH TYR A 72 10.526 9.881 -20.033 1.00 0.00 O ATOM 0 H TYR A 72 3.729 8.023 -15.949 1.00 0.00 H new ATOM 0 HA TYR A 72 5.328 10.347 -16.194 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.323 8.157 -15.881 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.527 7.523 -17.307 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.830 10.380 -16.410 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.814 7.319 -19.261 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.763 11.050 -17.810 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.773 7.958 -20.649 1.00 0.00 H new ATOM 0 HH TYR A 72 10.589 9.313 -20.829 1.00 0.00 H new ATOM 1140 N SER A 73 5.292 11.121 -18.580 1.00 0.00 N ATOM 1141 CA SER A 73 5.362 11.651 -19.932 1.00 0.00 C ATOM 1142 C SER A 73 6.684 12.430 -19.998 1.00 0.00 C ATOM 1143 O SER A 73 7.006 13.115 -19.025 1.00 0.00 O ATOM 1144 CB SER A 73 4.160 12.561 -20.201 1.00 0.00 C ATOM 1145 OG SER A 73 2.971 11.795 -20.305 1.00 0.00 O ATOM 0 H SER A 73 5.860 11.660 -17.927 1.00 0.00 H new ATOM 0 HA SER A 73 5.333 10.867 -20.689 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.061 13.290 -19.397 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.320 13.122 -21.122 1.00 0.00 H new ATOM 0 HG SER A 73 3.135 10.889 -19.970 1.00 0.00 H new ATOM 1151 N PRO A 74 7.463 12.345 -21.092 1.00 0.00 N ATOM 1152 CA PRO A 74 8.822 12.875 -21.121 1.00 0.00 C ATOM 1153 C PRO A 74 8.865 14.395 -20.949 1.00 0.00 C ATOM 1154 O PRO A 74 9.623 14.905 -20.124 1.00 0.00 O ATOM 1155 CB PRO A 74 9.415 12.439 -22.466 1.00 0.00 C ATOM 1156 CG PRO A 74 8.210 12.061 -23.327 1.00 0.00 C ATOM 1157 CD PRO A 74 7.167 11.607 -22.309 1.00 0.00 C ATOM 0 HA PRO A 74 9.402 12.487 -20.284 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.990 13.244 -22.923 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.093 11.594 -22.343 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.855 12.909 -23.913 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.455 11.266 -24.032 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.157 11.819 -22.661 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.226 10.532 -22.140 1.00 0.00 H new ATOM 1165 N ASP A 75 8.040 15.120 -21.708 1.00 0.00 N ATOM 1166 CA ASP A 75 7.992 16.578 -21.627 1.00 0.00 C ATOM 1167 C ASP A 75 7.534 17.020 -20.239 1.00 0.00 C ATOM 1168 O ASP A 75 8.130 17.914 -19.645 1.00 0.00 O ATOM 1169 CB ASP A 75 7.055 17.145 -22.698 1.00 0.00 C ATOM 1170 CG ASP A 75 6.942 18.673 -22.569 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.895 19.387 -22.953 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.882 19.170 -22.128 1.00 0.00 O ATOM 0 H ASP A 75 7.395 14.717 -22.387 1.00 0.00 H new ATOM 0 HA ASP A 75 8.996 16.964 -21.803 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.428 16.886 -23.689 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.068 16.693 -22.601 1.00 0.00 H new ATOM 1177 N GLU A 76 6.512 16.350 -19.697 1.00 0.00 N ATOM 1178 CA GLU A 76 5.943 16.652 -18.391 1.00 0.00 C ATOM 1179 C GLU A 76 6.952 16.381 -17.264 1.00 0.00 C ATOM 1180 O GLU A 76 6.954 17.092 -16.259 1.00 0.00 O ATOM 1181 CB GLU A 76 4.666 15.814 -18.199 1.00 0.00 C ATOM 1182 CG GLU A 76 3.643 16.478 -17.269 1.00 0.00 C ATOM 1183 CD GLU A 76 2.815 17.552 -17.995 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.300 18.695 -18.143 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.666 17.266 -18.405 1.00 0.00 O ATOM 0 H GLU A 76 6.053 15.570 -20.167 1.00 0.00 H new ATOM 0 HA GLU A 76 5.694 17.712 -18.347 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.204 15.639 -19.171 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.936 14.839 -17.794 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.975 15.718 -16.864 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.162 16.930 -16.424 1.00 0.00 H new ATOM 1192 N TRP A 77 7.806 15.363 -17.417 1.00 0.00 N ATOM 1193 CA TRP A 77 8.888 15.058 -16.496 1.00 0.00 C ATOM 1194 C TRP A 77 9.873 16.222 -16.484 1.00 0.00 C ATOM 1195 O TRP A 77 10.125 16.792 -15.419 1.00 0.00 O ATOM 1196 CB TRP A 77 9.543 13.722 -16.903 1.00 0.00 C ATOM 1197 CG TRP A 77 10.987 13.545 -16.548 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.500 13.653 -15.306 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.129 13.295 -17.427 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.873 13.531 -15.355 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.321 13.353 -16.645 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.286 13.047 -18.807 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.599 13.218 -17.212 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.560 12.897 -19.386 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.718 12.993 -18.593 1.00 0.00 C ATOM 0 H TRP A 77 7.756 14.718 -18.205 1.00 0.00 H new ATOM 0 HA TRP A 77 8.515 14.936 -15.479 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.978 12.912 -16.443 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.442 13.608 -17.982 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.922 13.811 -14.407 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.481 13.568 -14.537 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.409 12.971 -19.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.481 13.287 -16.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.649 12.707 -20.445 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.694 12.894 -19.044 1.00 0.00 H new ATOM 1216 N GLU A 78 10.402 16.609 -17.649 1.00 0.00 N ATOM 1217 CA GLU A 78 11.421 17.651 -17.717 1.00 0.00 C ATOM 1218 C GLU A 78 10.865 18.987 -17.230 1.00 0.00 C ATOM 1219 O GLU A 78 11.526 19.686 -16.461 1.00 0.00 O ATOM 1220 CB GLU A 78 11.993 17.773 -19.138 1.00 0.00 C ATOM 1221 CG GLU A 78 12.809 16.535 -19.532 1.00 0.00 C ATOM 1222 CD GLU A 78 13.544 16.740 -20.869 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.945 16.528 -21.948 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.740 17.114 -20.858 1.00 0.00 O ATOM 0 H GLU A 78 10.140 16.215 -18.553 1.00 0.00 H new ATOM 0 HA GLU A 78 12.239 17.366 -17.055 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.177 17.912 -19.848 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.624 18.659 -19.201 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.534 16.312 -18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.147 15.672 -19.609 1.00 0.00 H new ATOM 1231 N ARG A 79 9.627 19.307 -17.615 1.00 0.00 N ATOM 1232 CA ARG A 79 8.906 20.497 -17.185 1.00 0.00 C ATOM 1233 C ARG A 79 8.868 20.573 -15.664 1.00 0.00 C ATOM 1234 O ARG A 79 9.277 21.584 -15.095 1.00 0.00 O ATOM 1235 CB ARG A 79 7.499 20.419 -17.790 1.00 0.00 C ATOM 1236 CG ARG A 79 6.599 21.622 -17.485 1.00 0.00 C ATOM 1237 CD ARG A 79 5.172 21.293 -17.933 1.00 0.00 C ATOM 1238 NE ARG A 79 4.274 22.453 -17.808 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.938 22.414 -17.898 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.299 21.262 -18.081 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.241 23.541 -17.803 1.00 0.00 N ATOM 0 H ARG A 79 9.086 18.724 -18.254 1.00 0.00 H new ATOM 0 HA ARG A 79 9.402 21.405 -17.528 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.589 20.316 -18.871 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.011 19.516 -17.423 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.618 21.847 -16.419 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.963 22.508 -18.005 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.186 20.955 -18.969 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.785 20.469 -17.334 1.00 0.00 H new ATOM 0 HE ARG A 79 4.705 23.362 -17.639 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.827 20.392 -18.155 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.281 21.248 -18.148 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.723 24.429 -17.662 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.223 23.519 -17.871 1.00 0.00 H new ATOM 1255 N GLN A 80 8.408 19.515 -14.994 1.00 0.00 N ATOM 1256 CA GLN A 80 8.331 19.515 -13.542 1.00 0.00 C ATOM 1257 C GLN A 80 9.738 19.639 -12.944 1.00 0.00 C ATOM 1258 O GLN A 80 9.931 20.414 -12.008 1.00 0.00 O ATOM 1259 CB GLN A 80 7.581 18.264 -13.051 1.00 0.00 C ATOM 1260 CG GLN A 80 6.081 18.338 -13.375 1.00 0.00 C ATOM 1261 CD GLN A 80 5.350 17.030 -13.089 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.892 16.773 -11.979 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.214 16.188 -14.099 1.00 0.00 N ATOM 0 H GLN A 80 8.086 18.654 -15.436 1.00 0.00 H new ATOM 0 HA GLN A 80 7.761 20.379 -13.200 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.010 17.376 -13.516 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.716 18.158 -11.975 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.627 19.138 -12.791 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.953 18.598 -14.426 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.602 16.421 -15.013 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.721 15.305 -13.964 1.00 0.00 H new ATOM 1272 N CYS A 81 10.739 18.951 -13.503 1.00 0.00 N ATOM 1273 CA CYS A 81 12.099 18.975 -12.974 1.00 0.00 C ATOM 1274 C CYS A 81 12.741 20.359 -13.040 1.00 0.00 C ATOM 1275 O CYS A 81 13.573 20.662 -12.181 1.00 0.00 O ATOM 1276 CB CYS A 81 12.978 17.971 -13.717 1.00 0.00 C ATOM 1277 SG CYS A 81 12.433 16.287 -13.323 1.00 0.00 S ATOM 0 H CYS A 81 10.626 18.366 -14.331 1.00 0.00 H new ATOM 0 HA CYS A 81 12.023 18.701 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.917 18.143 -14.792 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.022 18.104 -13.432 1.00 0.00 H new ATOM 0 HG CYS A 81 12.285 15.610 -14.423 1.00 0.00 H new