USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 73 ASN : amide:sc= -2.25 K(o=-0.98,f=-3.4!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 137:sc= 1.27 (180deg=1.08) USER MOD Set 2.1: A 66 GLN : amide:sc= -5.45! C(o=-4.5!,f=-11!) USER MOD Set 2.2: A 80 THR OG1 : rot 82:sc= 0.971 USER MOD Set 3.1: A 6 HIS : no HE2:sc= -8.51! C(o=-10!,f=-12!) USER MOD Set 3.2: A 89 TYR OH : rot -51:sc= -1.97! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.971) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0193 (180deg=-0.177) USER MOD Single : A 17 ASN : amide:sc= -5.99! C(o=-6!,f=-4.1!) USER MOD Single : A 27 THR OG1 : rot 109:sc= 0.126 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0.129 (180deg=-0.481) USER MOD Single : A 42 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.55) USER MOD Single : A 43 THR OG1 : rot 50:sc= -0.775 USER MOD Single : A 47 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.8!) USER MOD Single : A 48 ASN : amide:sc= -4.43! C(o=-4.4!,f=-1.6!) USER MOD Single : A 49 ASN : amide:sc= -0.157 K(o=-0.16,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -5.11 K(o=-5.1,f=-1.3) USER MOD Single : A 62 THR OG1 : rot -94:sc= 1.24 USER MOD Single : A 64 SER OG : rot 180:sc= -2.26! USER MOD Single : A 67 ASN : amide:sc= 0.0762 K(o=0.076,f=-5.9!) USER MOD Single : A 70 SER OG : rot 120:sc= -0.451 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -15:sc= -0.902 USER MOD Single : A 87 ASN : amide:sc= -2.86 K(o=-2.9,f=-2.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 98 SER OG : rot -53:sc= 0.108 USER MOD Single : A 99 SER OG : rot 74:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.134 -8.889 -0.736 1.00 0.00 N ATOM 2 CA GLY A 1 20.601 -7.484 -0.649 1.00 0.00 C ATOM 3 C GLY A 1 19.678 -6.640 0.196 1.00 0.00 C ATOM 4 O GLY A 1 20.036 -6.222 1.297 1.00 0.00 O ATOM 0 H1 GLY A 1 20.793 -9.438 -1.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.095 -9.302 0.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.186 -8.914 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.605 -7.460 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.667 -7.060 -1.651 1.00 0.00 H new ATOM 10 N VAL A 2 18.486 -6.390 -0.316 1.00 0.00 N ATOM 11 CA VAL A 2 17.502 -5.608 0.392 1.00 0.00 C ATOM 12 C VAL A 2 16.391 -6.493 0.930 1.00 0.00 C ATOM 13 O VAL A 2 16.144 -7.566 0.399 1.00 0.00 O ATOM 14 CB VAL A 2 16.861 -4.571 -0.527 1.00 0.00 C ATOM 15 CG1 VAL A 2 15.908 -5.274 -1.450 1.00 0.00 C ATOM 16 CG2 VAL A 2 16.145 -3.521 0.285 1.00 0.00 C ATOM 0 H VAL A 2 18.179 -6.724 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 2 18.023 -5.113 1.212 1.00 0.00 H new ATOM 0 HB VAL A 2 17.630 -4.068 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.441 -4.546 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.452 -6.010 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.139 -5.777 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.693 -2.789 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.367 -3.993 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.857 -3.021 0.942 1.00 0.00 H new ATOM 26 N ASP A 3 15.789 -6.069 2.027 1.00 0.00 N ATOM 27 CA ASP A 3 14.477 -6.548 2.438 1.00 0.00 C ATOM 28 C ASP A 3 13.588 -5.338 2.723 1.00 0.00 C ATOM 29 O ASP A 3 14.077 -4.312 3.202 1.00 0.00 O ATOM 30 CB ASP A 3 14.600 -7.493 3.621 1.00 0.00 C ATOM 31 CG ASP A 3 15.092 -6.838 4.885 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.228 -6.328 4.894 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.346 -6.848 5.882 1.00 0.00 O ATOM 0 H ASP A 3 16.196 -5.381 2.661 1.00 0.00 H new ATOM 0 HA ASP A 3 14.011 -7.129 1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.627 -7.944 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.280 -8.303 3.356 1.00 0.00 H new ATOM 38 N PRO A 4 12.294 -5.419 2.360 1.00 0.00 N ATOM 39 CA PRO A 4 11.341 -4.288 2.390 1.00 0.00 C ATOM 40 C PRO A 4 11.286 -3.405 3.668 1.00 0.00 C ATOM 41 O PRO A 4 10.553 -2.421 3.677 1.00 0.00 O ATOM 42 CB PRO A 4 9.976 -4.935 2.150 1.00 0.00 C ATOM 43 CG PRO A 4 10.201 -6.403 1.985 1.00 0.00 C ATOM 44 CD PRO A 4 11.668 -6.622 1.791 1.00 0.00 C ATOM 0 HA PRO A 4 11.670 -3.568 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.306 -4.741 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.504 -4.517 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.847 -6.945 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.642 -6.781 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.006 -7.525 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.917 -6.739 0.736 1.00 0.00 H new ATOM 52 N LYS A 5 12.043 -3.714 4.721 1.00 0.00 N ATOM 53 CA LYS A 5 11.937 -2.959 5.992 1.00 0.00 C ATOM 54 C LYS A 5 12.527 -1.546 5.942 1.00 0.00 C ATOM 55 O LYS A 5 12.624 -0.890 6.975 1.00 0.00 O ATOM 56 CB LYS A 5 12.609 -3.714 7.143 1.00 0.00 C ATOM 57 CG LYS A 5 14.064 -4.130 6.899 1.00 0.00 C ATOM 58 CD LYS A 5 15.018 -2.940 6.866 1.00 0.00 C ATOM 59 CE LYS A 5 16.478 -3.360 6.948 1.00 0.00 C ATOM 60 NZ LYS A 5 16.964 -3.994 5.695 1.00 0.00 N ATOM 0 H LYS A 5 12.730 -4.468 4.731 1.00 0.00 H new ATOM 0 HA LYS A 5 10.864 -2.863 6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.573 -3.088 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.025 -4.609 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.377 -4.820 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.130 -4.670 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.857 -2.375 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.789 -2.272 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.091 -2.486 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.605 -4.057 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.003 -4.044 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.572 -4.954 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.658 -3.428 4.878 1.00 0.00 H new ATOM 74 N HIS A 6 12.911 -1.071 4.772 1.00 0.00 N ATOM 75 CA HIS A 6 13.650 0.194 4.676 1.00 0.00 C ATOM 76 C HIS A 6 12.739 1.418 4.796 1.00 0.00 C ATOM 77 O HIS A 6 13.129 2.517 4.410 1.00 0.00 O ATOM 78 CB HIS A 6 14.471 0.256 3.384 1.00 0.00 C ATOM 79 CG HIS A 6 13.796 -0.376 2.221 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.798 -1.735 1.995 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.050 0.164 1.247 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.073 -2.000 0.929 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.607 -0.865 0.450 1.00 0.00 N ATOM 0 H HIS A 6 12.731 -1.529 3.879 1.00 0.00 H new ATOM 0 HA HIS A 6 14.333 0.220 5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.684 1.299 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.430 -0.236 3.548 1.00 0.00 H new ATOM 0 HD1 HIS A 6 14.285 -2.427 2.564 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.836 1.214 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.891 -2.982 0.517 1.00 0.00 H new ATOM 92 N VAL A 7 11.535 1.194 5.337 1.00 0.00 N ATOM 93 CA VAL A 7 10.581 2.245 5.720 1.00 0.00 C ATOM 94 C VAL A 7 10.507 3.412 4.715 1.00 0.00 C ATOM 95 O VAL A 7 10.593 3.201 3.505 1.00 0.00 O ATOM 96 CB VAL A 7 10.871 2.742 7.157 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.815 1.564 8.129 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.214 3.457 7.260 1.00 0.00 C ATOM 0 H VAL A 7 11.188 0.254 5.526 1.00 0.00 H new ATOM 0 HA VAL A 7 9.591 1.789 5.700 1.00 0.00 H new ATOM 0 HB VAL A 7 10.104 3.470 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.020 1.916 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.824 1.112 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.562 0.822 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.373 3.787 8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.013 2.774 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.218 4.322 6.596 1.00 0.00 H new ATOM 108 N CYS A 8 10.288 4.631 5.201 1.00 0.00 N ATOM 109 CA CYS A 8 10.076 5.763 4.308 1.00 0.00 C ATOM 110 C CYS A 8 10.327 7.099 4.968 1.00 0.00 C ATOM 111 O CYS A 8 10.229 7.249 6.188 1.00 0.00 O ATOM 112 CB CYS A 8 8.631 5.754 3.817 1.00 0.00 C ATOM 113 SG CYS A 8 8.173 7.139 2.719 1.00 0.00 S ATOM 0 H CYS A 8 10.253 4.857 6.195 1.00 0.00 H new ATOM 0 HA CYS A 8 10.789 5.649 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.450 4.818 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.970 5.765 4.684 1.00 0.00 H new ATOM 118 N VAL A 9 10.663 8.048 4.108 1.00 0.00 N ATOM 119 CA VAL A 9 10.581 9.458 4.388 1.00 0.00 C ATOM 120 C VAL A 9 10.277 10.132 3.061 1.00 0.00 C ATOM 121 O VAL A 9 11.150 10.309 2.219 1.00 0.00 O ATOM 122 CB VAL A 9 11.917 9.985 4.941 1.00 0.00 C ATOM 123 CG1 VAL A 9 12.038 9.709 6.428 1.00 0.00 C ATOM 124 CG2 VAL A 9 13.062 9.325 4.195 1.00 0.00 C ATOM 0 H VAL A 9 11.009 7.844 3.171 1.00 0.00 H new ATOM 0 HA VAL A 9 9.815 9.662 5.136 1.00 0.00 H new ATOM 0 HB VAL A 9 11.955 11.065 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.991 10.092 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.223 10.202 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.987 8.634 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.011 9.695 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 9 13.011 8.245 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.988 9.560 3.133 1.00 0.00 H new ATOM 134 N ASP A 10 9.032 10.477 2.868 1.00 0.00 N ATOM 135 CA ASP A 10 8.589 11.002 1.592 1.00 0.00 C ATOM 136 C ASP A 10 7.801 12.290 1.772 1.00 0.00 C ATOM 137 O ASP A 10 7.497 12.664 2.904 1.00 0.00 O ATOM 138 CB ASP A 10 7.778 9.921 0.865 1.00 0.00 C ATOM 139 CG ASP A 10 7.119 10.390 -0.423 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.818 10.975 -1.278 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.902 10.174 -0.592 1.00 0.00 O ATOM 0 H ASP A 10 8.301 10.406 3.576 1.00 0.00 H new ATOM 0 HA ASP A 10 9.453 11.258 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.436 9.082 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.007 9.548 1.539 1.00 0.00 H new ATOM 146 N THR A 11 7.561 12.972 0.650 1.00 0.00 N ATOM 147 CA THR A 11 6.525 13.976 0.480 1.00 0.00 C ATOM 148 C THR A 11 6.069 14.693 1.755 1.00 0.00 C ATOM 149 O THR A 11 5.449 14.114 2.649 1.00 0.00 O ATOM 150 CB THR A 11 5.332 13.300 -0.209 1.00 0.00 C ATOM 151 OG1 THR A 11 5.657 13.016 -1.576 1.00 0.00 O ATOM 152 CG2 THR A 11 4.078 14.145 -0.135 1.00 0.00 C ATOM 0 H THR A 11 8.110 12.829 -0.197 1.00 0.00 H new ATOM 0 HA THR A 11 6.960 14.774 -0.121 1.00 0.00 H new ATOM 0 HB THR A 11 5.128 12.370 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.893 12.583 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.260 13.627 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.815 14.315 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.255 15.102 -0.625 1.00 0.00 H new ATOM 160 N ARG A 12 6.371 15.986 1.785 1.00 0.00 N ATOM 161 CA ARG A 12 5.893 16.916 2.809 1.00 0.00 C ATOM 162 C ARG A 12 4.462 16.628 3.280 1.00 0.00 C ATOM 163 O ARG A 12 4.158 16.791 4.459 1.00 0.00 O ATOM 164 CB ARG A 12 5.955 18.373 2.315 1.00 0.00 C ATOM 165 CG ARG A 12 6.297 18.553 0.846 1.00 0.00 C ATOM 166 CD ARG A 12 5.292 17.840 -0.016 1.00 0.00 C ATOM 167 NE ARG A 12 5.517 18.048 -1.441 1.00 0.00 N ATOM 168 CZ ARG A 12 4.588 17.855 -2.374 1.00 0.00 C ATOM 169 NH1 ARG A 12 3.367 17.478 -2.022 1.00 0.00 N ATOM 170 NH2 ARG A 12 4.885 18.033 -3.655 1.00 0.00 N ATOM 0 H ARG A 12 6.967 16.429 1.085 1.00 0.00 H new ATOM 0 HA ARG A 12 6.564 16.770 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.991 18.844 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.695 18.909 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.312 19.614 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.296 18.165 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.328 16.772 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.290 18.184 0.242 1.00 0.00 H new ATOM 0 HE ARG A 12 6.441 18.360 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.141 17.336 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.653 17.330 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.826 18.318 -3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.172 17.885 -4.369 1.00 0.00 H new ATOM 184 N ASP A 13 3.588 16.213 2.369 1.00 0.00 N ATOM 185 CA ASP A 13 2.187 16.004 2.712 1.00 0.00 C ATOM 186 C ASP A 13 1.610 14.790 1.992 1.00 0.00 C ATOM 187 O ASP A 13 1.049 14.904 0.904 1.00 0.00 O ATOM 188 CB ASP A 13 1.381 17.258 2.376 1.00 0.00 C ATOM 189 CG ASP A 13 -0.043 17.200 2.901 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.236 17.363 4.127 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.978 17.015 2.095 1.00 0.00 O ATOM 0 H ASP A 13 3.822 16.016 1.396 1.00 0.00 H new ATOM 0 HA ASP A 13 2.123 15.810 3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.883 18.130 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.360 17.392 1.294 1.00 0.00 H new ATOM 196 N ILE A 14 1.790 13.623 2.594 1.00 0.00 N ATOM 197 CA ILE A 14 1.185 12.397 2.095 1.00 0.00 C ATOM 198 C ILE A 14 -0.250 12.311 2.598 1.00 0.00 C ATOM 199 O ILE A 14 -0.530 12.654 3.746 1.00 0.00 O ATOM 200 CB ILE A 14 2.002 11.152 2.529 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.356 11.158 1.825 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.263 9.853 2.229 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.528 11.096 2.769 1.00 0.00 C ATOM 0 H ILE A 14 2.354 13.500 3.435 1.00 0.00 H new ATOM 0 HA ILE A 14 1.185 12.416 1.005 1.00 0.00 H new ATOM 0 HB ILE A 14 2.145 11.204 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.405 10.309 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.436 12.060 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.871 9.006 2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.314 9.842 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.075 9.780 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.456 11.104 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.505 11.958 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.473 10.181 3.358 1.00 0.00 H new ATOM 215 N PRO A 15 -1.172 11.881 1.727 1.00 0.00 N ATOM 216 CA PRO A 15 -2.611 11.857 2.016 1.00 0.00 C ATOM 217 C PRO A 15 -2.959 11.115 3.310 1.00 0.00 C ATOM 218 O PRO A 15 -2.274 10.179 3.720 1.00 0.00 O ATOM 219 CB PRO A 15 -3.177 11.130 0.800 1.00 0.00 C ATOM 220 CG PRO A 15 -2.219 11.446 -0.284 1.00 0.00 C ATOM 221 CD PRO A 15 -0.889 11.369 0.373 1.00 0.00 C ATOM 0 HA PRO A 15 -3.015 12.857 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.244 10.056 0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.182 11.478 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.299 10.735 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.401 12.437 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.507 10.349 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.145 11.976 -0.143 1.00 0.00 H new ATOM 229 N LYS A 16 -4.047 11.559 3.935 1.00 0.00 N ATOM 230 CA LYS A 16 -4.488 11.059 5.225 1.00 0.00 C ATOM 231 C LYS A 16 -4.804 9.575 5.197 1.00 0.00 C ATOM 232 O LYS A 16 -4.476 8.841 6.128 1.00 0.00 O ATOM 233 CB LYS A 16 -5.716 11.857 5.667 1.00 0.00 C ATOM 234 CG LYS A 16 -6.340 11.368 6.960 1.00 0.00 C ATOM 235 CD LYS A 16 -5.326 11.325 8.091 1.00 0.00 C ATOM 236 CE LYS A 16 -5.954 10.890 9.407 1.00 0.00 C ATOM 237 NZ LYS A 16 -6.967 11.866 9.891 1.00 0.00 N ATOM 0 H LYS A 16 -4.651 12.285 3.551 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.673 11.188 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.433 12.903 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.466 11.817 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.166 12.023 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.759 10.373 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.521 10.638 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.877 12.311 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.423 9.914 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.174 10.774 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.221 11.644 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.573 12.827 9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.816 11.810 9.293 1.00 0.00 H new ATOM 251 N ASN A 17 -5.444 9.133 4.138 1.00 0.00 N ATOM 252 CA ASN A 17 -5.795 7.733 4.003 1.00 0.00 C ATOM 253 C ASN A 17 -4.736 7.061 3.151 1.00 0.00 C ATOM 254 O ASN A 17 -5.016 6.181 2.341 1.00 0.00 O ATOM 255 CB ASN A 17 -7.191 7.589 3.385 1.00 0.00 C ATOM 256 CG ASN A 17 -8.294 8.085 4.297 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.429 7.619 4.226 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.969 9.024 5.166 1.00 0.00 N ATOM 0 H ASN A 17 -5.733 9.721 3.356 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.829 7.252 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.226 8.142 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.370 6.541 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.671 9.388 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.016 9.385 5.194 1.00 0.00 H new ATOM 265 N ALA A 18 -3.509 7.511 3.345 1.00 0.00 N ATOM 266 CA ALA A 18 -2.388 7.073 2.553 1.00 0.00 C ATOM 267 C ALA A 18 -1.177 6.897 3.432 1.00 0.00 C ATOM 268 O ALA A 18 -1.188 7.252 4.611 1.00 0.00 O ATOM 269 CB ALA A 18 -2.081 8.082 1.461 1.00 0.00 C ATOM 0 H ALA A 18 -3.267 8.195 4.062 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.643 6.120 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.232 7.735 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.950 8.192 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.840 9.045 1.912 1.00 0.00 H new ATOM 275 N GLY A 19 -0.151 6.339 2.852 1.00 0.00 N ATOM 276 CA GLY A 19 1.102 6.187 3.533 1.00 0.00 C ATOM 277 C GLY A 19 2.229 6.213 2.548 1.00 0.00 C ATOM 278 O GLY A 19 2.021 5.950 1.364 1.00 0.00 O ATOM 0 H GLY A 19 -0.160 5.979 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.228 6.987 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.113 5.247 4.085 1.00 0.00 H new ATOM 282 N CYS A 20 3.418 6.522 3.007 1.00 0.00 N ATOM 283 CA CYS A 20 4.526 6.649 2.105 1.00 0.00 C ATOM 284 C CYS A 20 5.474 5.526 2.325 1.00 0.00 C ATOM 285 O CYS A 20 5.590 4.991 3.434 1.00 0.00 O ATOM 286 CB CYS A 20 5.248 7.972 2.305 1.00 0.00 C ATOM 287 SG CYS A 20 6.529 7.951 3.612 1.00 0.00 S ATOM 0 H CYS A 20 3.637 6.688 3.989 1.00 0.00 H new ATOM 0 HA CYS A 20 4.144 6.620 1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.713 8.263 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.513 8.739 2.548 1.00 0.00 H new ATOM 292 N PHE A 21 6.114 5.129 1.270 1.00 0.00 N ATOM 293 CA PHE A 21 7.191 4.210 1.396 1.00 0.00 C ATOM 294 C PHE A 21 8.297 4.556 0.427 1.00 0.00 C ATOM 295 O PHE A 21 8.060 4.917 -0.723 1.00 0.00 O ATOM 296 CB PHE A 21 6.740 2.777 1.243 1.00 0.00 C ATOM 297 CG PHE A 21 7.842 1.828 1.592 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.808 1.500 0.663 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.936 1.295 2.867 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.842 0.668 0.993 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.973 0.449 3.198 1.00 0.00 C ATOM 302 CZ PHE A 21 9.929 0.140 2.256 1.00 0.00 C ATOM 0 H PHE A 21 5.907 5.428 0.317 1.00 0.00 H new ATOM 0 HA PHE A 21 7.586 4.299 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.879 2.592 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.416 2.602 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.747 1.905 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.191 1.544 3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.593 0.426 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.035 0.030 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.747 -0.518 2.512 1.00 0.00 H new ATOM 312 N ARG A 22 9.502 4.449 0.918 1.00 0.00 N ATOM 313 CA ARG A 22 10.664 4.813 0.162 1.00 0.00 C ATOM 314 C ARG A 22 11.571 3.602 0.038 1.00 0.00 C ATOM 315 O ARG A 22 11.992 3.031 1.043 1.00 0.00 O ATOM 316 CB ARG A 22 11.368 5.978 0.856 1.00 0.00 C ATOM 317 CG ARG A 22 12.846 6.021 0.575 1.00 0.00 C ATOM 318 CD ARG A 22 13.531 7.195 1.219 1.00 0.00 C ATOM 319 NE ARG A 22 14.952 7.149 0.921 1.00 0.00 N ATOM 320 CZ ARG A 22 15.791 8.174 1.063 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.332 9.393 1.315 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.093 7.987 0.902 1.00 0.00 N ATOM 0 H ARG A 22 9.704 4.105 1.857 1.00 0.00 H new ATOM 0 HA ARG A 22 10.388 5.136 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.914 6.915 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.210 5.902 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.305 5.099 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.005 6.061 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.101 8.127 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.374 7.175 2.297 1.00 0.00 H new ATOM 0 HE ARG A 22 15.335 6.268 0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.328 9.552 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.983 10.171 1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.450 7.060 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.738 8.770 1.010 1.00 0.00 H new ATOM 336 N ASP A 23 11.858 3.184 -1.184 1.00 0.00 N ATOM 337 CA ASP A 23 12.634 1.971 -1.370 1.00 0.00 C ATOM 338 C ASP A 23 14.112 2.242 -1.159 1.00 0.00 C ATOM 339 O ASP A 23 14.538 3.382 -0.977 1.00 0.00 O ATOM 340 CB ASP A 23 12.391 1.300 -2.725 1.00 0.00 C ATOM 341 CG ASP A 23 12.840 2.114 -3.918 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.040 2.446 -4.013 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.999 2.371 -4.793 1.00 0.00 O ATOM 0 H ASP A 23 11.573 3.654 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 23 12.290 1.266 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.909 0.341 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.326 1.088 -2.826 1.00 0.00 H new ATOM 348 N ASP A 24 14.882 1.169 -1.198 1.00 0.00 N ATOM 349 CA ASP A 24 16.249 1.170 -0.702 1.00 0.00 C ATOM 350 C ASP A 24 17.191 1.894 -1.653 1.00 0.00 C ATOM 351 O ASP A 24 18.361 2.110 -1.337 1.00 0.00 O ATOM 352 CB ASP A 24 16.701 -0.272 -0.499 1.00 0.00 C ATOM 353 CG ASP A 24 17.906 -0.399 0.416 1.00 0.00 C ATOM 354 OD1 ASP A 24 17.706 -0.544 1.641 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.049 -0.378 -0.079 1.00 0.00 O ATOM 0 H ASP A 24 14.578 0.271 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 24 16.277 1.706 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.875 -0.850 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.941 -0.710 -1.468 1.00 0.00 H new ATOM 360 N ASP A 25 16.676 2.281 -2.809 1.00 0.00 N ATOM 361 CA ASP A 25 17.470 3.005 -3.789 1.00 0.00 C ATOM 362 C ASP A 25 17.417 4.502 -3.499 1.00 0.00 C ATOM 363 O ASP A 25 18.269 5.267 -3.952 1.00 0.00 O ATOM 364 CB ASP A 25 16.957 2.716 -5.203 1.00 0.00 C ATOM 365 CG ASP A 25 17.862 3.285 -6.272 1.00 0.00 C ATOM 366 OD1 ASP A 25 19.011 2.815 -6.391 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.425 4.197 -7.006 1.00 0.00 O ATOM 0 H ASP A 25 15.712 2.106 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 25 18.506 2.672 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.869 1.638 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.957 3.135 -5.317 1.00 0.00 H new ATOM 372 N GLY A 26 16.426 4.903 -2.713 1.00 0.00 N ATOM 373 CA GLY A 26 16.244 6.307 -2.396 1.00 0.00 C ATOM 374 C GLY A 26 14.976 6.855 -3.011 1.00 0.00 C ATOM 375 O GLY A 26 14.653 8.036 -2.874 1.00 0.00 O ATOM 0 H GLY A 26 15.742 4.278 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.210 6.435 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.100 6.876 -2.757 1.00 0.00 H new ATOM 379 N THR A 27 14.270 5.975 -3.698 1.00 0.00 N ATOM 380 CA THR A 27 12.997 6.290 -4.321 1.00 0.00 C ATOM 381 C THR A 27 11.926 6.535 -3.266 1.00 0.00 C ATOM 382 O THR A 27 11.843 5.796 -2.293 1.00 0.00 O ATOM 383 CB THR A 27 12.561 5.101 -5.172 1.00 0.00 C ATOM 384 OG1 THR A 27 13.630 4.687 -6.030 1.00 0.00 O ATOM 385 CG2 THR A 27 11.322 5.409 -5.995 1.00 0.00 C ATOM 0 H THR A 27 14.568 5.010 -3.841 1.00 0.00 H new ATOM 0 HA THR A 27 13.117 7.188 -4.927 1.00 0.00 H new ATOM 0 HB THR A 27 12.307 4.290 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.985 3.828 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.050 4.533 -6.584 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.499 5.669 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.527 6.246 -6.663 1.00 0.00 H new ATOM 393 N GLU A 28 11.094 7.547 -3.462 1.00 0.00 N ATOM 394 CA GLU A 28 10.072 7.886 -2.483 1.00 0.00 C ATOM 395 C GLU A 28 8.701 7.979 -3.132 1.00 0.00 C ATOM 396 O GLU A 28 8.468 8.790 -4.031 1.00 0.00 O ATOM 397 CB GLU A 28 10.454 9.190 -1.791 1.00 0.00 C ATOM 398 CG GLU A 28 11.740 9.062 -0.993 1.00 0.00 C ATOM 399 CD GLU A 28 12.417 10.389 -0.727 1.00 0.00 C ATOM 400 OE1 GLU A 28 12.301 11.304 -1.570 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.107 10.511 0.303 1.00 0.00 O ATOM 0 H GLU A 28 11.106 8.146 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 28 10.013 7.095 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.569 9.975 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.646 9.497 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.522 8.577 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.430 8.412 -1.531 1.00 0.00 H new ATOM 408 N GLU A 29 7.797 7.135 -2.655 1.00 0.00 N ATOM 409 CA GLU A 29 6.467 7.007 -3.222 1.00 0.00 C ATOM 410 C GLU A 29 5.439 6.835 -2.120 1.00 0.00 C ATOM 411 O GLU A 29 5.666 6.112 -1.159 1.00 0.00 O ATOM 412 CB GLU A 29 6.399 5.790 -4.152 1.00 0.00 C ATOM 413 CG GLU A 29 4.977 5.363 -4.495 1.00 0.00 C ATOM 414 CD GLU A 29 4.919 4.138 -5.380 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.155 3.019 -4.877 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.602 4.288 -6.575 1.00 0.00 O ATOM 0 H GLU A 29 7.969 6.519 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 29 6.252 7.914 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.933 6.018 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.917 4.954 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.432 5.163 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.467 6.188 -4.993 1.00 0.00 H new ATOM 423 N TRP A 30 4.317 7.495 -2.249 1.00 0.00 N ATOM 424 CA TRP A 30 3.208 7.197 -1.383 1.00 0.00 C ATOM 425 C TRP A 30 2.111 6.503 -2.170 1.00 0.00 C ATOM 426 O TRP A 30 2.037 6.599 -3.400 1.00 0.00 O ATOM 427 CB TRP A 30 2.685 8.447 -0.680 1.00 0.00 C ATOM 428 CG TRP A 30 2.152 9.496 -1.593 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.784 10.630 -1.981 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.870 9.508 -2.216 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.968 11.364 -2.812 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.785 10.689 -2.971 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.213 8.629 -2.204 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.350 11.014 -3.708 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.335 8.953 -2.941 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.396 10.138 -3.681 1.00 0.00 C ATOM 0 H TRP A 30 4.149 8.231 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 30 3.557 6.523 -0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.897 8.154 0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.491 8.877 -0.085 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.782 10.916 -1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.204 12.260 -3.238 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.175 7.715 -1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.401 11.928 -4.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.180 8.280 -2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.290 10.365 -4.243 1.00 0.00 H new ATOM 447 N ARG A 31 1.280 5.788 -1.447 1.00 0.00 N ATOM 448 CA ARG A 31 0.185 5.023 -2.015 1.00 0.00 C ATOM 449 C ARG A 31 -1.002 5.124 -1.083 1.00 0.00 C ATOM 450 O ARG A 31 -0.915 5.767 -0.039 1.00 0.00 O ATOM 451 CB ARG A 31 0.555 3.556 -2.218 1.00 0.00 C ATOM 452 CG ARG A 31 1.649 3.311 -3.243 1.00 0.00 C ATOM 453 CD ARG A 31 1.714 1.841 -3.637 1.00 0.00 C ATOM 454 NE ARG A 31 2.911 1.533 -4.414 1.00 0.00 N ATOM 455 CZ ARG A 31 3.132 0.371 -5.028 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.268 -0.631 -4.908 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.238 0.201 -5.734 1.00 0.00 N ATOM 0 H ARG A 31 1.344 5.718 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.053 5.435 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.873 3.140 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.338 3.009 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.465 3.920 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.610 3.624 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.697 1.224 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.829 1.582 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 31 3.626 2.256 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.427 -0.514 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.445 -1.517 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.918 0.958 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.411 -0.687 -6.205 1.00 0.00 H new ATOM 471 N CYS A 32 -2.086 4.467 -1.433 1.00 0.00 N ATOM 472 CA CYS A 32 -3.314 4.577 -0.672 1.00 0.00 C ATOM 473 C CYS A 32 -3.558 3.265 0.028 1.00 0.00 C ATOM 474 O CYS A 32 -3.557 2.204 -0.597 1.00 0.00 O ATOM 475 CB CYS A 32 -4.510 4.866 -1.592 1.00 0.00 C ATOM 476 SG CYS A 32 -4.329 6.355 -2.622 1.00 0.00 S ATOM 0 H CYS A 32 -2.143 3.849 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.214 5.396 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.667 4.006 -2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.406 4.970 -0.980 1.00 0.00 H new ATOM 481 N LEU A 33 -3.741 3.371 1.338 1.00 0.00 N ATOM 482 CA LEU A 33 -3.855 2.223 2.220 1.00 0.00 C ATOM 483 C LEU A 33 -4.899 1.247 1.703 1.00 0.00 C ATOM 484 O LEU A 33 -5.852 1.624 1.023 1.00 0.00 O ATOM 485 CB LEU A 33 -4.217 2.682 3.628 1.00 0.00 C ATOM 486 CG LEU A 33 -3.336 3.780 4.236 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.441 3.757 5.750 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.883 3.651 3.798 1.00 0.00 C ATOM 0 H LEU A 33 -3.815 4.267 1.820 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.893 1.712 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.247 3.038 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.186 1.815 4.288 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.701 4.739 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.811 4.541 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.476 3.926 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.111 2.787 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.294 4.448 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.491 2.685 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.822 3.727 2.712 1.00 0.00 H new ATOM 500 N LEU A 34 -4.689 -0.002 2.035 1.00 0.00 N ATOM 501 CA LEU A 34 -5.497 -1.096 1.566 1.00 0.00 C ATOM 502 C LEU A 34 -6.960 -0.895 1.887 1.00 0.00 C ATOM 503 O LEU A 34 -7.320 -0.527 3.004 1.00 0.00 O ATOM 504 CB LEU A 34 -4.969 -2.370 2.194 1.00 0.00 C ATOM 505 CG LEU A 34 -3.471 -2.545 1.989 1.00 0.00 C ATOM 506 CD1 LEU A 34 -2.965 -3.801 2.668 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.159 -2.554 0.510 1.00 0.00 C ATOM 0 H LEU A 34 -3.932 -0.292 2.654 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.431 -1.156 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.188 -2.362 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.493 -3.225 1.768 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.953 -1.704 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.892 -3.897 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.163 -3.741 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.475 -4.670 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.086 -2.679 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.688 -3.378 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.477 -1.611 0.065 1.00 0.00 H new ATOM 519 N GLY A 35 -7.793 -1.119 0.886 1.00 0.00 N ATOM 520 CA GLY A 35 -9.216 -0.934 1.046 1.00 0.00 C ATOM 521 C GLY A 35 -9.640 0.483 0.736 1.00 0.00 C ATOM 522 O GLY A 35 -10.825 0.821 0.811 1.00 0.00 O ATOM 0 H GLY A 35 -7.505 -1.428 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.747 -1.623 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.501 -1.183 2.068 1.00 0.00 H new ATOM 526 N TYR A 36 -8.669 1.321 0.399 1.00 0.00 N ATOM 527 CA TYR A 36 -8.934 2.714 0.092 1.00 0.00 C ATOM 528 C TYR A 36 -8.821 2.950 -1.402 1.00 0.00 C ATOM 529 O TYR A 36 -8.672 2.009 -2.181 1.00 0.00 O ATOM 530 CB TYR A 36 -7.974 3.635 0.837 1.00 0.00 C ATOM 531 CG TYR A 36 -8.024 3.514 2.348 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.852 2.599 2.996 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.232 4.327 3.123 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.875 2.507 4.374 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.248 4.244 4.499 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.070 3.335 5.122 1.00 0.00 C ATOM 537 OH TYR A 36 -8.078 3.249 6.495 1.00 0.00 O ATOM 0 H TYR A 36 -7.687 1.055 0.332 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.949 2.943 0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.958 3.425 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.194 4.666 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.487 1.951 2.410 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.584 5.046 2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.520 1.790 4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.615 4.892 5.087 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.451 3.904 6.867 1.00 0.00 H new ATOM 547 N LYS A 37 -8.917 4.206 -1.795 1.00 0.00 N ATOM 548 CA LYS A 37 -8.919 4.567 -3.190 1.00 0.00 C ATOM 549 C LYS A 37 -8.299 5.936 -3.385 1.00 0.00 C ATOM 550 O LYS A 37 -8.066 6.670 -2.421 1.00 0.00 O ATOM 551 CB LYS A 37 -10.352 4.572 -3.703 1.00 0.00 C ATOM 552 CG LYS A 37 -11.276 5.503 -2.939 1.00 0.00 C ATOM 553 CD LYS A 37 -12.690 5.418 -3.472 1.00 0.00 C ATOM 554 CE LYS A 37 -13.643 6.325 -2.713 1.00 0.00 C ATOM 555 NZ LYS A 37 -15.018 6.272 -3.281 1.00 0.00 N ATOM 0 H LYS A 37 -8.995 4.997 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.330 3.839 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.350 4.860 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.750 3.558 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.266 5.244 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.914 6.528 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.696 5.689 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.041 4.388 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.670 6.029 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.274 7.350 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.642 6.903 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.995 6.578 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.379 5.298 -3.227 1.00 0.00 H new ATOM 569 N LYS A 38 -8.041 6.273 -4.636 1.00 0.00 N ATOM 570 CA LYS A 38 -7.487 7.569 -4.980 1.00 0.00 C ATOM 571 C LYS A 38 -8.616 8.528 -5.317 1.00 0.00 C ATOM 572 O LYS A 38 -9.465 8.230 -6.159 1.00 0.00 O ATOM 573 CB LYS A 38 -6.534 7.443 -6.169 1.00 0.00 C ATOM 574 CG LYS A 38 -5.600 8.625 -6.319 1.00 0.00 C ATOM 575 CD LYS A 38 -4.512 8.609 -5.261 1.00 0.00 C ATOM 576 CE LYS A 38 -3.274 7.872 -5.742 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.468 6.398 -5.811 1.00 0.00 N ATOM 0 H LYS A 38 -8.208 5.662 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.926 7.954 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.943 6.534 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.118 7.332 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.146 8.609 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.169 9.552 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.247 9.632 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.891 8.133 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.996 8.243 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.443 8.093 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.543 5.930 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.946 6.070 -4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.051 6.163 -6.640 1.00 0.00 H new ATOM 591 N GLY A 39 -8.619 9.674 -4.661 1.00 0.00 N ATOM 592 CA GLY A 39 -9.716 10.597 -4.800 1.00 0.00 C ATOM 593 C GLY A 39 -9.424 11.736 -5.753 1.00 0.00 C ATOM 594 O GLY A 39 -9.217 11.519 -6.949 1.00 0.00 O ATOM 0 H GLY A 39 -7.877 9.981 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.595 10.056 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.963 11.006 -3.821 1.00 0.00 H new ATOM 598 N GLU A 40 -9.405 12.945 -5.210 1.00 0.00 N ATOM 599 CA GLU A 40 -9.195 14.169 -5.982 1.00 0.00 C ATOM 600 C GLU A 40 -7.726 14.342 -6.393 1.00 0.00 C ATOM 601 O GLU A 40 -7.074 15.327 -6.038 1.00 0.00 O ATOM 602 CB GLU A 40 -9.659 15.370 -5.149 1.00 0.00 C ATOM 603 CG GLU A 40 -8.993 15.450 -3.780 1.00 0.00 C ATOM 604 CD GLU A 40 -9.516 16.590 -2.935 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.029 17.725 -3.096 1.00 0.00 O ATOM 606 OE2 GLU A 40 -10.415 16.352 -2.100 1.00 0.00 O ATOM 0 H GLU A 40 -9.536 13.109 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.779 14.102 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.451 16.287 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.740 15.315 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.150 14.510 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.917 15.566 -3.911 1.00 0.00 H new ATOM 613 N GLY A 41 -7.205 13.382 -7.134 1.00 0.00 N ATOM 614 CA GLY A 41 -5.841 13.478 -7.606 1.00 0.00 C ATOM 615 C GLY A 41 -4.858 12.824 -6.663 1.00 0.00 C ATOM 616 O GLY A 41 -4.886 11.610 -6.474 1.00 0.00 O ATOM 0 H GLY A 41 -7.701 12.537 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.765 13.010 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.576 14.528 -7.732 1.00 0.00 H new ATOM 620 N ASN A 42 -3.997 13.630 -6.061 1.00 0.00 N ATOM 621 CA ASN A 42 -2.998 13.130 -5.121 1.00 0.00 C ATOM 622 C ASN A 42 -3.595 12.973 -3.726 1.00 0.00 C ATOM 623 O ASN A 42 -3.085 13.508 -2.743 1.00 0.00 O ATOM 624 CB ASN A 42 -1.773 14.058 -5.083 1.00 0.00 C ATOM 625 CG ASN A 42 -2.127 15.520 -4.855 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.389 16.265 -5.801 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.117 15.943 -3.602 1.00 0.00 N ATOM 0 H ASN A 42 -3.968 14.639 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.673 12.148 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.101 13.727 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.228 13.966 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.331 16.918 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.895 15.295 -2.847 1.00 0.00 H new ATOM 634 N THR A 43 -4.671 12.210 -3.651 1.00 0.00 N ATOM 635 CA THR A 43 -5.402 12.029 -2.412 1.00 0.00 C ATOM 636 C THR A 43 -5.885 10.605 -2.257 1.00 0.00 C ATOM 637 O THR A 43 -6.290 9.966 -3.222 1.00 0.00 O ATOM 638 CB THR A 43 -6.610 12.955 -2.356 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.189 13.043 -3.654 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.210 14.330 -1.871 1.00 0.00 C ATOM 0 H THR A 43 -5.060 11.701 -4.444 1.00 0.00 H new ATOM 0 HA THR A 43 -4.713 12.266 -1.602 1.00 0.00 H new ATOM 0 HB THR A 43 -7.338 12.549 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.322 12.142 -4.015 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.089 14.974 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.780 14.253 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.473 14.756 -2.552 1.00 0.00 H new ATOM 648 N CYS A 44 -5.846 10.120 -1.040 1.00 0.00 N ATOM 649 CA CYS A 44 -6.339 8.795 -0.741 1.00 0.00 C ATOM 650 C CYS A 44 -7.484 8.890 0.244 1.00 0.00 C ATOM 651 O CYS A 44 -7.428 9.660 1.203 1.00 0.00 O ATOM 652 CB CYS A 44 -5.223 7.932 -0.179 1.00 0.00 C ATOM 653 SG CYS A 44 -3.790 7.782 -1.290 1.00 0.00 S ATOM 0 H CYS A 44 -5.476 10.626 -0.235 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.699 8.331 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.893 8.352 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.615 6.937 0.031 1.00 0.00 H new ATOM 658 N VAL A 45 -8.514 8.111 -0.009 1.00 0.00 N ATOM 659 CA VAL A 45 -9.722 8.124 0.793 1.00 0.00 C ATOM 660 C VAL A 45 -10.246 6.717 0.946 1.00 0.00 C ATOM 661 O VAL A 45 -9.955 5.849 0.130 1.00 0.00 O ATOM 662 CB VAL A 45 -10.819 8.998 0.153 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.431 10.468 0.198 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.079 8.566 -1.287 1.00 0.00 C ATOM 0 H VAL A 45 -8.538 7.446 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.469 8.544 1.766 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.736 8.864 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.219 11.066 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.295 10.777 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.500 10.615 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.856 9.195 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.163 8.668 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.404 7.526 -1.302 1.00 0.00 H new ATOM 674 N GLU A 46 -11.007 6.492 1.998 1.00 0.00 N ATOM 675 CA GLU A 46 -11.573 5.187 2.258 1.00 0.00 C ATOM 676 C GLU A 46 -12.564 4.803 1.170 1.00 0.00 C ATOM 677 O GLU A 46 -13.670 5.340 1.104 1.00 0.00 O ATOM 678 CB GLU A 46 -12.257 5.164 3.614 1.00 0.00 C ATOM 679 CG GLU A 46 -11.313 4.921 4.777 1.00 0.00 C ATOM 680 CD GLU A 46 -12.046 4.869 6.097 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.497 3.773 6.487 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.189 5.927 6.748 1.00 0.00 O ATOM 0 H GLU A 46 -11.248 7.202 2.690 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.760 4.461 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.769 6.114 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.021 4.387 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.779 3.984 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.565 5.713 4.808 1.00 0.00 H new ATOM 689 N ASN A 47 -12.145 3.869 0.329 1.00 0.00 N ATOM 690 CA ASN A 47 -12.955 3.381 -0.778 1.00 0.00 C ATOM 691 C ASN A 47 -14.262 2.792 -0.259 1.00 0.00 C ATOM 692 O ASN A 47 -15.331 3.070 -0.795 1.00 0.00 O ATOM 693 CB ASN A 47 -12.148 2.341 -1.571 1.00 0.00 C ATOM 694 CG ASN A 47 -12.868 1.720 -2.757 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.087 1.774 -2.884 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.097 1.075 -3.620 1.00 0.00 N ATOM 0 H ASN A 47 -11.229 3.426 0.395 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.210 4.207 -1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.233 2.813 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.849 1.543 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.514 0.602 -4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.087 1.051 -3.482 1.00 0.00 H new ATOM 703 N ASN A 48 -14.150 1.971 0.789 1.00 0.00 N ATOM 704 CA ASN A 48 -15.313 1.396 1.484 1.00 0.00 C ATOM 705 C ASN A 48 -16.002 0.308 0.668 1.00 0.00 C ATOM 706 O ASN A 48 -16.744 -0.510 1.208 1.00 0.00 O ATOM 707 CB ASN A 48 -16.306 2.483 1.911 1.00 0.00 C ATOM 708 CG ASN A 48 -15.938 3.083 3.254 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.793 3.596 3.975 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.658 3.012 3.604 1.00 0.00 N ATOM 0 H ASN A 48 -13.253 1.684 1.182 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.930 0.918 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.332 3.269 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.309 2.059 1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.353 3.391 4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.981 2.578 2.976 1.00 0.00 H new ATOM 717 N ASN A 49 -15.740 0.289 -0.627 1.00 0.00 N ATOM 718 CA ASN A 49 -16.125 -0.830 -1.473 1.00 0.00 C ATOM 719 C ASN A 49 -14.947 -1.229 -2.370 1.00 0.00 C ATOM 720 O ASN A 49 -15.050 -1.233 -3.600 1.00 0.00 O ATOM 721 CB ASN A 49 -17.324 -0.451 -2.328 1.00 0.00 C ATOM 722 CG ASN A 49 -17.912 -1.641 -3.068 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.874 -2.770 -2.578 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.457 -1.397 -4.252 1.00 0.00 N ATOM 0 H ASN A 49 -15.259 1.041 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.398 -1.676 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.091 -0.006 -1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.026 0.310 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.865 -2.160 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.468 -0.447 -4.622 1.00 0.00 H new ATOM 731 N PRO A 50 -13.791 -1.530 -1.755 1.00 0.00 N ATOM 732 CA PRO A 50 -12.572 -1.845 -2.480 1.00 0.00 C ATOM 733 C PRO A 50 -12.700 -3.096 -3.334 1.00 0.00 C ATOM 734 O PRO A 50 -13.253 -4.111 -2.911 1.00 0.00 O ATOM 735 CB PRO A 50 -11.510 -2.034 -1.402 1.00 0.00 C ATOM 736 CG PRO A 50 -12.227 -2.104 -0.101 1.00 0.00 C ATOM 737 CD PRO A 50 -13.600 -1.559 -0.307 1.00 0.00 C ATOM 0 HA PRO A 50 -12.325 -1.049 -3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.938 -2.945 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.801 -1.206 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.274 -3.133 0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.698 -1.529 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.349 -2.187 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.696 -0.562 0.122 1.00 0.00 H new ATOM 745 N THR A 51 -12.183 -3.001 -4.541 1.00 0.00 N ATOM 746 CA THR A 51 -12.221 -4.089 -5.492 1.00 0.00 C ATOM 747 C THR A 51 -10.798 -4.492 -5.839 1.00 0.00 C ATOM 748 O THR A 51 -9.893 -3.652 -5.813 1.00 0.00 O ATOM 749 CB THR A 51 -12.969 -3.664 -6.774 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.146 -4.782 -7.651 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.222 -2.559 -7.509 1.00 0.00 C ATOM 0 H THR A 51 -11.722 -2.161 -4.891 1.00 0.00 H new ATOM 0 HA THR A 51 -12.750 -4.932 -5.049 1.00 0.00 H new ATOM 0 HB THR A 51 -13.945 -3.285 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.623 -4.493 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.774 -2.282 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.127 -1.689 -6.859 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.230 -2.914 -7.788 1.00 0.00 H new ATOM 759 N CYS A 52 -10.576 -5.756 -6.151 1.00 0.00 N ATOM 760 CA CYS A 52 -9.271 -6.147 -6.618 1.00 0.00 C ATOM 761 C CYS A 52 -9.269 -5.932 -8.116 1.00 0.00 C ATOM 762 O CYS A 52 -10.130 -6.459 -8.823 1.00 0.00 O ATOM 763 CB CYS A 52 -8.987 -7.613 -6.280 1.00 0.00 C ATOM 764 SG CYS A 52 -7.237 -8.088 -6.452 1.00 0.00 S ATOM 0 H CYS A 52 -11.265 -6.506 -6.090 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.491 -5.557 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.307 -7.808 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.591 -8.248 -6.928 1.00 0.00 H new ATOM 769 N ASP A 53 -8.258 -5.213 -8.582 1.00 0.00 N ATOM 770 CA ASP A 53 -8.234 -4.634 -9.928 1.00 0.00 C ATOM 771 C ASP A 53 -7.382 -3.386 -9.879 1.00 0.00 C ATOM 772 O ASP A 53 -6.334 -3.300 -10.514 1.00 0.00 O ATOM 773 CB ASP A 53 -9.635 -4.215 -10.398 1.00 0.00 C ATOM 774 CG ASP A 53 -9.638 -3.668 -11.812 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.775 -4.465 -12.760 1.00 0.00 O ATOM 776 OD2 ASP A 53 -9.517 -2.436 -11.979 1.00 0.00 O ATOM 0 H ASP A 53 -7.421 -5.010 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.845 -5.384 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.304 -5.074 -10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.031 -3.459 -9.719 1.00 0.00 H new ATOM 781 N ILE A 54 -7.849 -2.435 -9.070 1.00 0.00 N ATOM 782 CA ILE A 54 -7.182 -1.160 -8.894 1.00 0.00 C ATOM 783 C ILE A 54 -5.862 -1.366 -8.207 1.00 0.00 C ATOM 784 O ILE A 54 -5.817 -1.473 -6.984 1.00 0.00 O ATOM 785 CB ILE A 54 -8.009 -0.201 -8.026 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.436 -0.089 -8.565 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.318 1.155 -7.970 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.383 0.623 -7.622 1.00 0.00 C ATOM 0 H ILE A 54 -8.703 -2.534 -8.520 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.050 -0.728 -9.886 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.077 -0.592 -7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.416 0.442 -9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.820 -1.089 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.904 1.837 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.324 1.039 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.231 1.561 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.377 0.666 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.432 0.081 -6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.023 1.635 -7.440 1.00 0.00 H new ATOM 800 N ASN A 55 -4.799 -1.449 -8.986 1.00 0.00 N ATOM 801 CA ASN A 55 -3.483 -1.701 -8.436 1.00 0.00 C ATOM 802 C ASN A 55 -3.538 -2.948 -7.567 1.00 0.00 C ATOM 803 O ASN A 55 -3.072 -2.950 -6.434 1.00 0.00 O ATOM 804 CB ASN A 55 -3.021 -0.504 -7.613 1.00 0.00 C ATOM 805 CG ASN A 55 -1.524 -0.530 -7.374 1.00 0.00 C ATOM 806 OD1 ASN A 55 -0.764 -1.053 -8.191 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.084 0.026 -6.264 1.00 0.00 N ATOM 0 H ASN A 55 -4.823 -1.345 -10.000 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.771 -1.856 -9.247 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.291 0.418 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.542 -0.498 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.085 0.033 -6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.742 0.450 -5.610 1.00 0.00 H new ATOM 814 N ASN A 56 -4.178 -3.992 -8.088 1.00 0.00 N ATOM 815 CA ASN A 56 -4.344 -5.252 -7.362 1.00 0.00 C ATOM 816 C ASN A 56 -5.064 -4.990 -6.041 1.00 0.00 C ATOM 817 O ASN A 56 -4.649 -5.479 -5.014 1.00 0.00 O ATOM 818 CB ASN A 56 -2.993 -5.957 -7.068 1.00 0.00 C ATOM 819 CG ASN A 56 -1.846 -5.485 -7.918 1.00 0.00 C ATOM 820 OD1 ASN A 56 -1.826 -5.671 -9.135 1.00 0.00 O ATOM 821 ND2 ASN A 56 -0.851 -4.923 -7.264 1.00 0.00 N ATOM 0 H ASN A 56 -4.594 -3.991 -9.019 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.930 -5.913 -8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.739 -5.804 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.118 -7.030 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.017 -4.620 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.915 -4.790 -6.255 1.00 0.00 H new ATOM 828 N GLY A 57 -6.098 -4.154 -6.066 1.00 0.00 N ATOM 829 CA GLY A 57 -6.903 -3.930 -4.881 1.00 0.00 C ATOM 830 C GLY A 57 -6.315 -2.874 -3.968 1.00 0.00 C ATOM 831 O GLY A 57 -6.896 -2.544 -2.935 1.00 0.00 O ATOM 0 H GLY A 57 -6.392 -3.627 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.907 -3.628 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.002 -4.866 -4.331 1.00 0.00 H new ATOM 835 N GLY A 58 -5.183 -2.318 -4.364 1.00 0.00 N ATOM 836 CA GLY A 58 -4.481 -1.397 -3.505 1.00 0.00 C ATOM 837 C GLY A 58 -3.175 -1.989 -3.025 1.00 0.00 C ATOM 838 O GLY A 58 -2.511 -1.437 -2.158 1.00 0.00 O ATOM 0 H GLY A 58 -4.739 -2.489 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.287 -0.469 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.106 -1.145 -2.649 1.00 0.00 H new ATOM 842 N CYS A 59 -2.796 -3.092 -3.641 1.00 0.00 N ATOM 843 CA CYS A 59 -1.610 -3.843 -3.277 1.00 0.00 C ATOM 844 C CYS A 59 -0.527 -3.595 -4.303 1.00 0.00 C ATOM 845 O CYS A 59 -0.687 -2.809 -5.231 1.00 0.00 O ATOM 846 CB CYS A 59 -1.894 -5.353 -3.239 1.00 0.00 C ATOM 847 SG CYS A 59 -3.490 -5.833 -2.503 1.00 0.00 S ATOM 0 H CYS A 59 -3.312 -3.498 -4.421 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.296 -3.514 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.853 -5.738 -4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.095 -5.841 -2.681 1.00 0.00 H new ATOM 852 N ASP A 60 0.579 -4.256 -4.114 1.00 0.00 N ATOM 853 CA ASP A 60 1.673 -4.186 -5.049 1.00 0.00 C ATOM 854 C ASP A 60 1.595 -5.431 -5.886 1.00 0.00 C ATOM 855 O ASP A 60 1.115 -6.441 -5.418 1.00 0.00 O ATOM 856 CB ASP A 60 2.983 -4.164 -4.275 1.00 0.00 C ATOM 857 CG ASP A 60 4.175 -3.825 -5.144 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.388 -2.630 -5.439 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.895 -4.761 -5.542 1.00 0.00 O ATOM 0 H ASP A 60 0.751 -4.859 -3.309 1.00 0.00 H new ATOM 0 HA ASP A 60 1.622 -3.292 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.910 -3.436 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.142 -5.138 -3.812 1.00 0.00 H new ATOM 864 N PRO A 61 1.946 -5.348 -7.173 1.00 0.00 N ATOM 865 CA PRO A 61 1.836 -6.487 -8.083 1.00 0.00 C ATOM 866 C PRO A 61 2.629 -7.697 -7.590 1.00 0.00 C ATOM 867 O PRO A 61 2.472 -8.809 -8.093 1.00 0.00 O ATOM 868 CB PRO A 61 2.426 -5.969 -9.396 1.00 0.00 C ATOM 869 CG PRO A 61 2.389 -4.485 -9.305 1.00 0.00 C ATOM 870 CD PRO A 61 2.430 -4.132 -7.846 1.00 0.00 C ATOM 0 HA PRO A 61 0.805 -6.830 -8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.447 -6.326 -9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.848 -6.322 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.236 -4.045 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.485 -4.093 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.439 -3.873 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.796 -3.274 -7.625 1.00 0.00 H new ATOM 878 N THR A 62 3.499 -7.458 -6.620 1.00 0.00 N ATOM 879 CA THR A 62 4.256 -8.517 -5.980 1.00 0.00 C ATOM 880 C THR A 62 3.503 -9.027 -4.755 1.00 0.00 C ATOM 881 O THR A 62 3.774 -10.108 -4.235 1.00 0.00 O ATOM 882 CB THR A 62 5.650 -8.002 -5.584 1.00 0.00 C ATOM 883 OG1 THR A 62 5.551 -7.069 -4.499 1.00 0.00 O ATOM 884 CG2 THR A 62 6.285 -7.306 -6.778 1.00 0.00 C ATOM 0 H THR A 62 3.698 -6.526 -6.257 1.00 0.00 H new ATOM 0 HA THR A 62 4.379 -9.343 -6.680 1.00 0.00 H new ATOM 0 HB THR A 62 6.261 -8.849 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.514 -6.157 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.274 -6.939 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.377 -8.012 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.660 -6.468 -7.085 1.00 0.00 H new ATOM 892 N ALA A 63 2.547 -8.227 -4.312 1.00 0.00 N ATOM 893 CA ALA A 63 1.619 -8.609 -3.267 1.00 0.00 C ATOM 894 C ALA A 63 0.393 -9.270 -3.885 1.00 0.00 C ATOM 895 O ALA A 63 -0.288 -8.675 -4.720 1.00 0.00 O ATOM 896 CB ALA A 63 1.196 -7.386 -2.457 1.00 0.00 C ATOM 0 H ALA A 63 2.394 -7.285 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 63 2.113 -9.315 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.499 -7.690 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.075 -6.930 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.712 -6.664 -3.114 1.00 0.00 H new ATOM 902 N SER A 64 0.125 -10.499 -3.487 1.00 0.00 N ATOM 903 CA SER A 64 -1.055 -11.203 -3.912 1.00 0.00 C ATOM 904 C SER A 64 -2.292 -10.494 -3.391 1.00 0.00 C ATOM 905 O SER A 64 -2.341 -10.126 -2.220 1.00 0.00 O ATOM 906 CB SER A 64 -0.989 -12.615 -3.366 1.00 0.00 C ATOM 907 OG SER A 64 -0.309 -13.487 -4.251 1.00 0.00 O ATOM 0 H SER A 64 0.725 -11.033 -2.858 1.00 0.00 H new ATOM 0 HA SER A 64 -1.108 -11.230 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.483 -12.609 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.999 -12.986 -3.194 1.00 0.00 H new ATOM 0 HG SER A 64 -0.283 -14.388 -3.867 1.00 0.00 H new ATOM 913 N CYS A 65 -3.285 -10.299 -4.245 1.00 0.00 N ATOM 914 CA CYS A 65 -4.487 -9.599 -3.830 1.00 0.00 C ATOM 915 C CYS A 65 -5.705 -10.469 -3.786 1.00 0.00 C ATOM 916 O CYS A 65 -6.056 -11.196 -4.721 1.00 0.00 O ATOM 917 CB CYS A 65 -4.762 -8.391 -4.710 1.00 0.00 C ATOM 918 SG CYS A 65 -6.471 -7.758 -4.601 1.00 0.00 S ATOM 0 H CYS A 65 -3.282 -10.611 -5.216 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.284 -9.272 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.073 -7.592 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.550 -8.655 -5.746 1.00 0.00 H new ATOM 923 N GLN A 66 -6.312 -10.361 -2.640 1.00 0.00 N ATOM 924 CA GLN A 66 -7.534 -10.996 -2.309 1.00 0.00 C ATOM 925 C GLN A 66 -8.637 -9.959 -2.288 1.00 0.00 C ATOM 926 O GLN A 66 -8.419 -8.841 -1.822 1.00 0.00 O ATOM 927 CB GLN A 66 -7.410 -11.546 -0.906 1.00 0.00 C ATOM 928 CG GLN A 66 -6.253 -12.504 -0.653 1.00 0.00 C ATOM 929 CD GLN A 66 -4.837 -12.009 -0.887 1.00 0.00 C ATOM 930 OE1 GLN A 66 -4.207 -11.422 -0.014 1.00 0.00 O ATOM 931 NE2 GLN A 66 -4.286 -12.353 -2.032 1.00 0.00 N ATOM 0 H GLN A 66 -5.940 -9.795 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.755 -11.781 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.315 -10.706 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.339 -12.059 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.320 -12.838 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.406 -13.381 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.838 -12.841 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.307 -12.132 -2.214 1.00 0.00 H new ATOM 940 N ASN A 67 -9.807 -10.302 -2.764 1.00 0.00 N ATOM 941 CA ASN A 67 -10.950 -9.446 -2.539 1.00 0.00 C ATOM 942 C ASN A 67 -11.927 -10.108 -1.606 1.00 0.00 C ATOM 943 O ASN A 67 -12.312 -11.266 -1.779 1.00 0.00 O ATOM 944 CB ASN A 67 -11.635 -8.984 -3.822 1.00 0.00 C ATOM 945 CG ASN A 67 -11.907 -10.074 -4.836 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.226 -11.099 -4.887 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.899 -9.844 -5.673 1.00 0.00 N ATOM 0 H ASN A 67 -9.995 -11.150 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.567 -8.539 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.581 -8.510 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.015 -8.220 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.126 -10.528 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.440 -8.982 -5.598 1.00 0.00 H new ATOM 954 N ALA A 68 -12.295 -9.349 -0.607 1.00 0.00 N ATOM 955 CA ALA A 68 -13.085 -9.840 0.501 1.00 0.00 C ATOM 956 C ALA A 68 -13.968 -8.730 1.030 1.00 0.00 C ATOM 957 O ALA A 68 -13.846 -7.579 0.609 1.00 0.00 O ATOM 958 CB ALA A 68 -12.162 -10.345 1.599 1.00 0.00 C ATOM 0 H ALA A 68 -12.054 -8.361 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.717 -10.661 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.758 -10.715 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.542 -11.152 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.524 -9.530 1.941 1.00 0.00 H new ATOM 964 N GLU A 69 -14.860 -9.073 1.937 1.00 0.00 N ATOM 965 CA GLU A 69 -15.682 -8.078 2.594 1.00 0.00 C ATOM 966 C GLU A 69 -15.623 -8.244 4.103 1.00 0.00 C ATOM 967 O GLU A 69 -15.566 -9.361 4.616 1.00 0.00 O ATOM 968 CB GLU A 69 -17.128 -8.130 2.102 1.00 0.00 C ATOM 969 CG GLU A 69 -17.292 -7.641 0.674 1.00 0.00 C ATOM 970 CD GLU A 69 -18.707 -7.210 0.369 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.099 -6.109 0.815 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.427 -7.958 -0.317 1.00 0.00 O ATOM 0 H GLU A 69 -15.034 -10.033 2.236 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.281 -7.098 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.492 -9.155 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.751 -7.525 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.615 -6.804 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.001 -8.435 -0.014 1.00 0.00 H new ATOM 979 N SER A 70 -15.627 -7.120 4.795 1.00 0.00 N ATOM 980 CA SER A 70 -15.501 -7.093 6.236 1.00 0.00 C ATOM 981 C SER A 70 -15.953 -5.738 6.751 1.00 0.00 C ATOM 982 O SER A 70 -16.070 -4.785 5.975 1.00 0.00 O ATOM 983 CB SER A 70 -14.041 -7.361 6.643 1.00 0.00 C ATOM 984 OG SER A 70 -13.867 -7.313 8.050 1.00 0.00 O ATOM 0 H SER A 70 -15.718 -6.198 4.369 1.00 0.00 H new ATOM 0 HA SER A 70 -16.128 -7.871 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.734 -8.339 6.272 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.391 -6.624 6.171 1.00 0.00 H new ATOM 0 HG SER A 70 -13.536 -8.179 8.368 1.00 0.00 H new ATOM 990 N THR A 71 -16.218 -5.658 8.047 1.00 0.00 N ATOM 991 CA THR A 71 -16.533 -4.393 8.687 1.00 0.00 C ATOM 992 C THR A 71 -15.377 -3.415 8.476 1.00 0.00 C ATOM 993 O THR A 71 -15.572 -2.199 8.390 1.00 0.00 O ATOM 994 CB THR A 71 -16.797 -4.595 10.193 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.123 -3.349 10.825 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.591 -5.226 10.872 1.00 0.00 C ATOM 0 H THR A 71 -16.221 -6.460 8.677 1.00 0.00 H new ATOM 0 HA THR A 71 -17.438 -3.984 8.238 1.00 0.00 H new ATOM 0 HB THR A 71 -17.647 -5.269 10.296 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.288 -3.500 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.799 -5.359 11.934 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.384 -6.195 10.418 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.724 -4.576 10.751 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.176 -3.970 8.380 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.989 -3.196 8.094 1.00 0.00 C ATOM 1006 C GLU A 72 -12.811 -3.053 6.595 1.00 0.00 C ATOM 1007 O GLU A 72 -12.581 -4.035 5.891 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.763 -3.870 8.685 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.724 -3.871 10.193 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.373 -4.282 10.732 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.418 -3.483 10.632 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.255 -5.410 11.247 1.00 0.00 O ATOM 0 H GLU A 72 -14.004 -4.968 8.499 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.104 -2.209 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.723 -4.900 8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.871 -3.369 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.972 -2.875 10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.486 -4.551 10.573 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.918 -1.830 6.114 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.769 -1.544 4.694 1.00 0.00 C ATOM 1021 C ASN A 73 -11.337 -1.793 4.259 1.00 0.00 C ATOM 1022 O ASN A 73 -11.081 -2.184 3.122 1.00 0.00 O ATOM 1023 CB ASN A 73 -13.172 -0.099 4.398 1.00 0.00 C ATOM 1024 CG ASN A 73 -14.541 0.235 4.955 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -15.560 -0.019 4.317 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -14.571 0.826 6.141 1.00 0.00 N ATOM 0 H ASN A 73 -13.109 -1.009 6.689 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.426 -2.208 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.432 0.578 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.170 0.064 3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.464 1.088 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.701 1.019 6.637 1.00 0.00 H new ATOM 1033 N SER A 74 -10.411 -1.581 5.180 1.00 0.00 N ATOM 1034 CA SER A 74 -9.005 -1.840 4.934 1.00 0.00 C ATOM 1035 C SER A 74 -8.721 -3.340 4.935 1.00 0.00 C ATOM 1036 O SER A 74 -7.765 -3.808 4.323 1.00 0.00 O ATOM 1037 CB SER A 74 -8.162 -1.137 5.998 1.00 0.00 C ATOM 1038 OG SER A 74 -8.672 -1.391 7.300 1.00 0.00 O ATOM 0 H SER A 74 -10.613 -1.226 6.115 1.00 0.00 H new ATOM 0 HA SER A 74 -8.742 -1.449 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.129 -1.480 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.153 -0.063 5.810 1.00 0.00 H new ATOM 0 HG SER A 74 -8.116 -0.933 7.964 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.570 -4.082 5.628 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.431 -5.527 5.753 1.00 0.00 C ATOM 1046 C LYS A 75 -10.051 -6.249 4.554 1.00 0.00 C ATOM 1047 O LYS A 75 -9.890 -7.459 4.387 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.088 -5.939 7.076 1.00 0.00 C ATOM 1049 CG LYS A 75 -10.677 -7.328 7.124 1.00 0.00 C ATOM 1050 CD LYS A 75 -9.654 -8.357 7.556 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.396 -8.259 9.043 1.00 0.00 C ATOM 1052 NZ LYS A 75 -8.424 -9.282 9.513 1.00 0.00 N ATOM 0 H LYS A 75 -10.377 -3.700 6.121 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.379 -5.812 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.344 -5.855 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.878 -5.224 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.520 -7.342 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.066 -7.592 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.009 -9.357 7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.724 -8.205 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.017 -7.265 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.336 -8.379 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.278 -9.177 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.796 -10.232 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.518 -9.153 9.019 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.726 -5.498 3.695 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.448 -6.100 2.589 1.00 0.00 C ATOM 1068 C LYS A 76 -10.501 -6.594 1.510 1.00 0.00 C ATOM 1069 O LYS A 76 -10.658 -7.692 0.992 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.441 -5.125 1.985 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.415 -4.557 2.990 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.532 -3.809 2.304 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.305 -2.961 3.286 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.664 -2.632 2.790 1.00 0.00 N ATOM 0 H LYS A 76 -10.787 -4.481 3.743 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.992 -6.954 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.895 -4.306 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.998 -5.629 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.831 -5.364 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.890 -3.887 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.120 -3.176 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.206 -4.518 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.384 -3.489 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.757 -2.039 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.351 -2.738 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.680 -1.651 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.915 -3.276 2.013 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.536 -5.771 1.154 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.515 -6.189 0.213 1.00 0.00 C ATOM 1090 C ILE A 77 -7.334 -6.717 0.977 1.00 0.00 C ATOM 1091 O ILE A 77 -6.708 -6.001 1.760 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.044 -5.043 -0.706 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.210 -4.496 -1.522 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.933 -5.512 -1.634 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.877 -5.539 -2.388 1.00 0.00 C ATOM 0 H ILE A 77 -9.436 -4.816 1.498 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.953 -6.958 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.653 -4.246 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.950 -4.070 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.852 -3.684 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.618 -4.686 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.085 -5.856 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.298 -6.330 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.698 -5.082 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.150 -5.948 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.265 -6.340 -1.759 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.049 -7.976 0.774 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.922 -8.584 1.416 1.00 0.00 C ATOM 1109 C ILE A 78 -4.738 -8.530 0.472 1.00 0.00 C ATOM 1110 O ILE A 78 -4.844 -8.909 -0.694 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.182 -10.048 1.865 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.506 -10.181 2.641 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.033 -10.504 2.740 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.756 -10.110 1.779 1.00 0.00 C ATOM 0 H ILE A 78 -7.584 -8.598 0.168 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.721 -8.022 2.328 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.257 -10.672 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.504 -11.130 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.553 -9.392 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.206 -11.531 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.102 -10.452 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.963 -9.857 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.639 -10.213 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.788 -9.150 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.738 -10.916 1.045 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.641 -8.005 0.962 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.428 -7.921 0.184 1.00 0.00 C ATOM 1128 C CYS A 79 -1.347 -8.763 0.831 1.00 0.00 C ATOM 1129 O CYS A 79 -0.942 -8.526 1.973 1.00 0.00 O ATOM 1130 CB CYS A 79 -1.995 -6.469 0.056 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.322 -5.384 -0.539 1.00 0.00 S ATOM 0 H CYS A 79 -3.563 -7.626 1.906 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.607 -8.309 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.649 -6.112 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.148 -6.407 -0.628 1.00 0.00 H new ATOM 1136 N THR A 80 -0.910 -9.767 0.103 1.00 0.00 N ATOM 1137 CA THR A 80 0.036 -10.733 0.614 1.00 0.00 C ATOM 1138 C THR A 80 1.369 -10.628 -0.113 1.00 0.00 C ATOM 1139 O THR A 80 1.472 -10.979 -1.287 1.00 0.00 O ATOM 1140 CB THR A 80 -0.516 -12.159 0.452 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.796 -12.266 1.094 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.445 -13.177 1.043 1.00 0.00 C ATOM 0 H THR A 80 -1.201 -9.936 -0.860 1.00 0.00 H new ATOM 0 HA THR A 80 0.191 -10.518 1.671 1.00 0.00 H new ATOM 0 HB THR A 80 -0.629 -12.366 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.491 -11.914 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.035 -14.179 0.918 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.405 -13.111 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.585 -12.972 2.104 1.00 0.00 H new ATOM 1150 N CYS A 81 2.393 -10.173 0.582 1.00 0.00 N ATOM 1151 CA CYS A 81 3.710 -10.095 -0.013 1.00 0.00 C ATOM 1152 C CYS A 81 4.351 -11.482 0.077 1.00 0.00 C ATOM 1153 O CYS A 81 4.065 -12.246 1.005 1.00 0.00 O ATOM 1154 CB CYS A 81 4.564 -9.039 0.701 1.00 0.00 C ATOM 1155 SG CYS A 81 3.733 -7.434 0.976 1.00 0.00 S ATOM 0 H CYS A 81 2.339 -9.855 1.550 1.00 0.00 H new ATOM 0 HA CYS A 81 3.637 -9.791 -1.057 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.879 -9.439 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.468 -8.868 0.116 1.00 0.00 H new ATOM 1160 N LYS A 82 5.185 -11.815 -0.897 1.00 0.00 N ATOM 1161 CA LYS A 82 5.644 -13.189 -1.070 1.00 0.00 C ATOM 1162 C LYS A 82 6.779 -13.565 -0.114 1.00 0.00 C ATOM 1163 O LYS A 82 7.197 -12.768 0.725 1.00 0.00 O ATOM 1164 CB LYS A 82 6.090 -13.416 -2.515 1.00 0.00 C ATOM 1165 CG LYS A 82 5.080 -12.955 -3.538 1.00 0.00 C ATOM 1166 CD LYS A 82 3.733 -13.623 -3.360 1.00 0.00 C ATOM 1167 CE LYS A 82 2.698 -12.960 -4.244 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.877 -13.294 -5.685 1.00 0.00 N ATOM 0 H LYS A 82 5.558 -11.155 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 82 4.798 -13.834 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.030 -12.891 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.287 -14.478 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.959 -11.874 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.458 -13.166 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.809 -14.682 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.424 -13.561 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.702 -13.267 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.755 -11.879 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.144 -12.815 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.816 -12.978 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.796 -14.323 -5.816 1.00 0.00 H new ATOM 1182 N GLU A 83 7.271 -14.788 -0.256 1.00 0.00 N ATOM 1183 CA GLU A 83 8.380 -15.292 0.552 1.00 0.00 C ATOM 1184 C GLU A 83 9.650 -14.416 0.487 1.00 0.00 C ATOM 1185 O GLU A 83 10.266 -14.172 1.525 1.00 0.00 O ATOM 1186 CB GLU A 83 8.702 -16.726 0.144 1.00 0.00 C ATOM 1187 CG GLU A 83 7.521 -17.656 0.305 1.00 0.00 C ATOM 1188 CD GLU A 83 7.849 -19.094 -0.015 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.546 -19.744 0.791 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.394 -19.589 -1.064 1.00 0.00 O ATOM 0 H GLU A 83 6.914 -15.461 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 83 8.049 -15.258 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.031 -16.739 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.533 -17.093 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.154 -17.593 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.712 -17.321 -0.344 1.00 0.00 H new ATOM 1197 N PRO A 84 10.069 -13.901 -0.699 1.00 0.00 N ATOM 1198 CA PRO A 84 11.279 -13.106 -0.806 1.00 0.00 C ATOM 1199 C PRO A 84 10.997 -11.663 -0.481 1.00 0.00 C ATOM 1200 O PRO A 84 11.686 -10.757 -0.939 1.00 0.00 O ATOM 1201 CB PRO A 84 11.671 -13.241 -2.265 1.00 0.00 C ATOM 1202 CG PRO A 84 10.385 -13.426 -2.991 1.00 0.00 C ATOM 1203 CD PRO A 84 9.396 -13.995 -2.001 1.00 0.00 C ATOM 0 HA PRO A 84 12.058 -13.435 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.199 -12.354 -2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.337 -14.090 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.028 -12.477 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.514 -14.100 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.463 -13.431 -2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.145 -15.028 -2.242 1.00 0.00 H new ATOM 1211 N THR A 85 9.927 -11.462 0.251 1.00 0.00 N ATOM 1212 CA THR A 85 9.552 -10.155 0.720 1.00 0.00 C ATOM 1213 C THR A 85 9.237 -10.252 2.215 1.00 0.00 C ATOM 1214 O THR A 85 8.084 -10.332 2.627 1.00 0.00 O ATOM 1215 CB THR A 85 8.354 -9.600 -0.096 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.139 -10.233 0.280 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.561 -9.839 -1.584 1.00 0.00 C ATOM 0 H THR A 85 9.291 -12.206 0.538 1.00 0.00 H new ATOM 0 HA THR A 85 10.372 -9.452 0.577 1.00 0.00 H new ATOM 0 HB THR A 85 8.295 -8.532 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.338 -11.047 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.710 -9.443 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.472 -9.337 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.649 -10.909 -1.772 1.00 0.00 H new ATOM 1225 N PRO A 86 10.291 -10.281 3.052 1.00 0.00 N ATOM 1226 CA PRO A 86 10.167 -10.494 4.505 1.00 0.00 C ATOM 1227 C PRO A 86 9.427 -9.366 5.205 1.00 0.00 C ATOM 1228 O PRO A 86 9.223 -9.392 6.419 1.00 0.00 O ATOM 1229 CB PRO A 86 11.623 -10.527 4.986 1.00 0.00 C ATOM 1230 CG PRO A 86 12.439 -10.776 3.771 1.00 0.00 C ATOM 1231 CD PRO A 86 11.696 -10.131 2.649 1.00 0.00 C ATOM 0 HA PRO A 86 9.597 -11.396 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.901 -9.585 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.773 -11.312 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.437 -10.351 3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.564 -11.844 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.972 -9.083 2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.897 -10.622 1.697 1.00 0.00 H new ATOM 1239 N ASN A 87 9.030 -8.377 4.428 1.00 0.00 N ATOM 1240 CA ASN A 87 8.458 -7.162 4.957 1.00 0.00 C ATOM 1241 C ASN A 87 7.409 -6.638 3.989 1.00 0.00 C ATOM 1242 O ASN A 87 7.185 -7.231 2.933 1.00 0.00 O ATOM 1243 CB ASN A 87 9.551 -6.113 5.133 1.00 0.00 C ATOM 1244 CG ASN A 87 10.773 -6.625 5.867 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.847 -6.598 7.094 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.743 -7.089 5.092 1.00 0.00 N ATOM 0 H ASN A 87 9.097 -8.397 3.410 1.00 0.00 H new ATOM 0 HA ASN A 87 7.998 -7.369 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.854 -5.748 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.141 -5.262 5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.602 -7.447 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.630 -7.089 4.078 1.00 0.00 H new ATOM 1253 N ALA A 88 6.799 -5.521 4.330 1.00 0.00 N ATOM 1254 CA ALA A 88 5.807 -4.906 3.467 1.00 0.00 C ATOM 1255 C ALA A 88 5.923 -3.394 3.522 1.00 0.00 C ATOM 1256 O ALA A 88 6.344 -2.830 4.534 1.00 0.00 O ATOM 1257 CB ALA A 88 4.409 -5.345 3.872 1.00 0.00 C ATOM 0 H ALA A 88 6.972 -5.018 5.201 1.00 0.00 H new ATOM 0 HA ALA A 88 5.989 -5.230 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.676 -4.876 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.329 -6.429 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.218 -5.046 4.902 1.00 0.00 H new ATOM 1263 N TYR A 89 5.583 -2.746 2.423 1.00 0.00 N ATOM 1264 CA TYR A 89 5.521 -1.300 2.390 1.00 0.00 C ATOM 1265 C TYR A 89 4.165 -0.890 2.956 1.00 0.00 C ATOM 1266 O TYR A 89 3.131 -1.037 2.296 1.00 0.00 O ATOM 1267 CB TYR A 89 5.690 -0.758 0.959 1.00 0.00 C ATOM 1268 CG TYR A 89 6.972 -1.142 0.236 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.922 -1.985 0.797 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.231 -0.618 -1.024 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.088 -2.283 0.122 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.385 -0.917 -1.706 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.314 -1.743 -1.131 1.00 0.00 C ATOM 1274 OH TYR A 89 10.478 -2.022 -1.802 1.00 0.00 O ATOM 0 H TYR A 89 5.346 -3.201 1.541 1.00 0.00 H new ATOM 0 HA TYR A 89 6.335 -0.882 2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.845 -1.102 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.632 0.330 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.746 -2.412 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.507 0.041 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.822 -2.936 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.559 -0.504 -2.689 1.00 0.00 H new ATOM 0 HH TYR A 89 11.243 -1.854 -1.213 1.00 0.00 H new ATOM 1284 N TYR A 90 4.190 -0.415 4.191 1.00 0.00 N ATOM 1285 CA TYR A 90 2.987 -0.153 4.975 1.00 0.00 C ATOM 1286 C TYR A 90 2.222 -1.451 5.236 1.00 0.00 C ATOM 1287 O TYR A 90 2.816 -2.436 5.675 1.00 0.00 O ATOM 1288 CB TYR A 90 2.079 0.908 4.336 1.00 0.00 C ATOM 1289 CG TYR A 90 1.545 1.884 5.369 1.00 0.00 C ATOM 1290 CD1 TYR A 90 1.225 1.458 6.655 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.378 3.224 5.072 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.754 2.342 7.607 1.00 0.00 C ATOM 1293 CE2 TYR A 90 0.912 4.115 6.019 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.599 3.670 7.281 1.00 0.00 C ATOM 1295 OH TYR A 90 0.134 4.562 8.225 1.00 0.00 O ATOM 0 H TYR A 90 5.055 -0.197 4.686 1.00 0.00 H new ATOM 0 HA TYR A 90 3.313 0.259 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.636 1.453 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.245 0.418 3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.347 0.417 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.616 3.581 4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.509 1.993 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.794 5.159 5.768 1.00 0.00 H new ATOM 0 HH TYR A 90 0.084 5.458 7.832 1.00 0.00 H new ATOM 1305 N GLU A 91 0.925 -1.469 4.966 1.00 0.00 N ATOM 1306 CA GLU A 91 0.096 -2.618 5.333 1.00 0.00 C ATOM 1307 C GLU A 91 0.127 -3.712 4.259 1.00 0.00 C ATOM 1308 O GLU A 91 -0.488 -4.768 4.420 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.357 -2.192 5.603 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.561 -0.688 5.749 1.00 0.00 C ATOM 1311 CD GLU A 91 -1.704 0.002 4.434 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -2.796 -0.085 3.849 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -0.738 0.632 3.994 1.00 0.00 O ATOM 0 H GLU A 91 0.424 -0.713 4.500 1.00 0.00 H new ATOM 0 HA GLU A 91 0.519 -3.030 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.985 -2.553 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.702 -2.682 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.451 -0.503 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.716 -0.261 6.289 1.00 0.00 H new ATOM 1320 N GLY A 92 0.861 -3.473 3.179 1.00 0.00 N ATOM 1321 CA GLY A 92 0.887 -4.417 2.070 1.00 0.00 C ATOM 1322 C GLY A 92 0.560 -3.738 0.763 1.00 0.00 C ATOM 1323 O GLY A 92 0.460 -4.388 -0.279 1.00 0.00 O ATOM 0 H GLY A 92 1.440 -2.643 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.872 -4.878 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.171 -5.218 2.255 1.00 0.00 H new ATOM 1327 N VAL A 93 0.383 -2.421 0.827 1.00 0.00 N ATOM 1328 CA VAL A 93 0.084 -1.616 -0.343 1.00 0.00 C ATOM 1329 C VAL A 93 1.199 -1.747 -1.377 1.00 0.00 C ATOM 1330 O VAL A 93 0.976 -1.640 -2.580 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.091 -0.128 0.053 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.570 0.687 -1.115 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.049 0.018 1.214 1.00 0.00 C ATOM 0 H VAL A 93 0.444 -1.886 1.694 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.848 -1.978 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 93 0.885 0.246 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.685 1.727 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.157 0.624 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.530 0.302 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.152 1.072 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.023 -0.385 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.663 -0.528 2.075 1.00 0.00 H new ATOM 1343 N PHE A 94 2.402 -1.955 -0.879 1.00 0.00 N ATOM 1344 CA PHE A 94 3.547 -2.248 -1.712 1.00 0.00 C ATOM 1345 C PHE A 94 4.464 -3.219 -0.967 1.00 0.00 C ATOM 1346 O PHE A 94 4.319 -3.395 0.238 1.00 0.00 O ATOM 1347 CB PHE A 94 4.334 -0.986 -2.196 1.00 0.00 C ATOM 1348 CG PHE A 94 4.084 0.389 -1.544 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.122 0.628 -0.566 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.856 1.470 -1.959 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.939 1.888 -0.026 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.678 2.731 -1.422 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.717 2.939 -0.457 1.00 0.00 C ATOM 0 H PHE A 94 2.611 -1.925 0.119 1.00 0.00 H new ATOM 0 HA PHE A 94 3.169 -2.703 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.396 -1.207 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.141 -0.876 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.505 -0.189 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.611 1.320 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.187 2.047 0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.292 3.553 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.574 3.925 -0.039 1.00 0.00 H new ATOM 1363 N CYS A 95 5.373 -3.882 -1.676 1.00 0.00 N ATOM 1364 CA CYS A 95 6.328 -4.791 -1.037 1.00 0.00 C ATOM 1365 C CYS A 95 7.653 -4.768 -1.806 1.00 0.00 C ATOM 1366 O CYS A 95 7.716 -4.237 -2.913 1.00 0.00 O ATOM 1367 CB CYS A 95 5.794 -6.238 -0.981 1.00 0.00 C ATOM 1368 SG CYS A 95 3.984 -6.394 -0.757 1.00 0.00 S ATOM 0 H CYS A 95 5.471 -3.810 -2.689 1.00 0.00 H new ATOM 0 HA CYS A 95 6.479 -4.448 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.075 -6.748 -1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.291 -6.760 -0.164 1.00 0.00 H new ATOM 1373 N SER A 96 8.706 -5.322 -1.212 1.00 0.00 N ATOM 1374 CA SER A 96 10.016 -5.373 -1.861 1.00 0.00 C ATOM 1375 C SER A 96 10.407 -6.806 -2.140 1.00 0.00 C ATOM 1376 O SER A 96 10.483 -7.619 -1.222 1.00 0.00 O ATOM 1377 CB SER A 96 11.087 -4.730 -0.980 1.00 0.00 C ATOM 1378 OG SER A 96 12.363 -4.746 -1.599 1.00 0.00 O ATOM 0 H SER A 96 8.680 -5.742 -0.283 1.00 0.00 H new ATOM 0 HA SER A 96 9.944 -4.821 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.804 -3.701 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.139 -5.259 -0.028 1.00 0.00 H new ATOM 0 HG SER A 96 13.020 -4.325 -1.006 1.00 0.00 H new ATOM 1384 N SER A 97 10.663 -7.105 -3.397 1.00 0.00 N ATOM 1385 CA SER A 97 11.048 -8.441 -3.795 1.00 0.00 C ATOM 1386 C SER A 97 12.563 -8.619 -3.734 1.00 0.00 C ATOM 1387 O SER A 97 13.297 -7.644 -3.542 1.00 0.00 O ATOM 1388 CB SER A 97 10.530 -8.719 -5.206 1.00 0.00 C ATOM 1389 OG SER A 97 10.830 -7.637 -6.075 1.00 0.00 O ATOM 0 H SER A 97 10.611 -6.435 -4.164 1.00 0.00 H new ATOM 0 HA SER A 97 10.606 -9.155 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.980 -9.635 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.452 -8.881 -5.178 1.00 0.00 H new ATOM 0 HG SER A 97 10.492 -7.835 -6.973 1.00 0.00 H new ATOM 1395 N SER A 98 13.007 -9.868 -3.881 1.00 0.00 N ATOM 1396 CA SER A 98 14.429 -10.206 -3.909 1.00 0.00 C ATOM 1397 C SER A 98 15.068 -10.000 -2.532 1.00 0.00 C ATOM 1398 O SER A 98 16.229 -9.602 -2.421 1.00 0.00 O ATOM 1399 CB SER A 98 15.162 -9.373 -4.970 1.00 0.00 C ATOM 1400 OG SER A 98 16.422 -9.940 -5.292 1.00 0.00 O ATOM 0 H SER A 98 12.390 -10.674 -3.984 1.00 0.00 H new ATOM 0 HA SER A 98 14.520 -11.260 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.550 -9.307 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.302 -8.356 -4.604 1.00 0.00 H new ATOM 0 HG SER A 98 16.935 -10.085 -4.470 1.00 0.00 H new ATOM 1406 N SER A 99 14.307 -10.283 -1.488 1.00 0.00 N ATOM 1407 CA SER A 99 14.804 -10.147 -0.132 1.00 0.00 C ATOM 1408 C SER A 99 14.946 -11.517 0.520 1.00 0.00 C ATOM 1409 O SER A 99 16.094 -11.968 0.702 1.00 0.00 O ATOM 1410 CB SER A 99 13.902 -9.226 0.690 1.00 0.00 C ATOM 1411 OG SER A 99 12.904 -8.618 -0.114 1.00 0.00 O ATOM 1412 OXT SER A 99 13.913 -12.160 0.811 1.00 0.00 O ATOM 0 H SER A 99 13.343 -10.608 -1.555 1.00 0.00 H new ATOM 0 HA SER A 99 15.792 -9.688 -0.168 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.428 -9.798 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.507 -8.454 1.166 1.00 0.00 H new ATOM 0 HG SER A 99 12.221 -9.282 -0.345 1.00 0.00 H new TER 1418 SER A 99