USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 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 21 MET CE :methyl -115:sc= -2 (180deg=-0.184) USER MOD Set 1.2: A 47 MET CE :methyl -163:sc= -4.87! (180deg=-4.34!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 1:sc= 0.171 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.916 K(o=-0.92,f=-3.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.224 K(o=-0.22,f=-2.7!) USER MOD Single : A 29 THR OG1 : rot -13:sc= 0.148 USER MOD Single : A 31 MET CE :methyl -155:sc= -4.85! (180deg=-6!) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= -0.059 (180deg=-0.367) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.31! K(o=-4.3!,f=-0.7) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 48 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.6!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 53 MET CE :methyl -137:sc= 0 (180deg=-0.754) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= 1.25 (180deg=0.144) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.0251 (180deg=-0.622) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0334) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 73 HIS : no HD1:sc= -1.59! K(o=-1.6!,f=-0.63) USER MOD Single : A 74 ASN : amide:sc= -1.44! C(o=-1.4!,f=-8.5!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 23:sc= 0.78 USER MOD Single : A 83 SER OG : rot -54:sc= 0.0818 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.301 28.952 -21.115 1.00 0.00 N ATOM 2 CA GLY A 1 1.536 27.536 -21.329 1.00 0.00 C ATOM 3 C GLY A 1 2.995 27.224 -21.593 1.00 0.00 C ATOM 4 O GLY A 1 3.553 27.641 -22.608 1.00 0.00 O ATOM 0 H1 GLY A 1 0.289 29.113 -20.939 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.851 29.275 -20.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.594 29.484 -21.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.201 26.979 -20.454 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.936 27.195 -22.173 1.00 0.00 H new ATOM 8 N SER A 2 3.617 26.490 -20.676 1.00 0.00 N ATOM 9 CA SER A 2 5.023 26.127 -20.811 1.00 0.00 C ATOM 10 C SER A 2 5.171 24.652 -21.172 1.00 0.00 C ATOM 11 O SER A 2 4.613 23.780 -20.506 1.00 0.00 O ATOM 12 CB SER A 2 5.776 26.425 -19.513 1.00 0.00 C ATOM 13 OG SER A 2 6.006 27.815 -19.364 1.00 0.00 O ATOM 0 H SER A 2 3.169 26.135 -19.831 1.00 0.00 H new ATOM 0 HA SER A 2 5.451 26.725 -21.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.202 26.055 -18.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.728 25.894 -19.511 1.00 0.00 H new ATOM 0 HG SER A 2 6.487 27.979 -18.526 1.00 0.00 H new ATOM 19 N SER A 3 5.927 24.381 -22.231 1.00 0.00 N ATOM 20 CA SER A 3 6.146 23.013 -22.684 1.00 0.00 C ATOM 21 C SER A 3 7.492 22.883 -23.391 1.00 0.00 C ATOM 22 O SER A 3 8.033 23.862 -23.904 1.00 0.00 O ATOM 23 CB SER A 3 5.020 22.578 -23.624 1.00 0.00 C ATOM 24 OG SER A 3 3.780 22.516 -22.940 1.00 0.00 O ATOM 0 H SER A 3 6.398 25.091 -22.791 1.00 0.00 H new ATOM 0 HA SER A 3 6.151 22.364 -21.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.945 23.278 -24.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.254 21.602 -24.049 1.00 0.00 H new ATOM 0 HG SER A 3 3.908 22.783 -22.006 1.00 0.00 H new ATOM 30 N GLY A 4 8.027 21.666 -23.412 1.00 0.00 N ATOM 31 CA GLY A 4 9.306 21.430 -24.057 1.00 0.00 C ATOM 32 C GLY A 4 9.643 19.955 -24.151 1.00 0.00 C ATOM 33 O GLY A 4 8.951 19.194 -24.827 1.00 0.00 O ATOM 0 H GLY A 4 7.598 20.840 -22.994 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.290 21.861 -25.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.090 21.944 -23.502 1.00 0.00 H new ATOM 37 N SER A 5 10.712 19.550 -23.473 1.00 0.00 N ATOM 38 CA SER A 5 11.144 18.157 -23.487 1.00 0.00 C ATOM 39 C SER A 5 11.428 17.662 -22.072 1.00 0.00 C ATOM 40 O SER A 5 11.491 18.449 -21.128 1.00 0.00 O ATOM 41 CB SER A 5 12.394 17.998 -24.356 1.00 0.00 C ATOM 42 OG SER A 5 12.120 18.322 -25.708 1.00 0.00 O ATOM 0 H SER A 5 11.295 20.167 -22.907 1.00 0.00 H new ATOM 0 HA SER A 5 10.338 17.556 -23.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.188 18.642 -23.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.758 16.973 -24.291 1.00 0.00 H new ATOM 0 HG SER A 5 12.935 18.214 -26.242 1.00 0.00 H new ATOM 48 N SER A 6 11.598 16.351 -21.934 1.00 0.00 N ATOM 49 CA SER A 6 11.872 15.749 -20.634 1.00 0.00 C ATOM 50 C SER A 6 13.372 15.560 -20.428 1.00 0.00 C ATOM 51 O SER A 6 14.055 14.967 -21.262 1.00 0.00 O ATOM 52 CB SER A 6 11.155 14.403 -20.512 1.00 0.00 C ATOM 53 OG SER A 6 9.748 14.571 -20.526 1.00 0.00 O ATOM 0 H SER A 6 11.551 15.686 -22.706 1.00 0.00 H new ATOM 0 HA SER A 6 11.500 16.423 -19.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.455 13.752 -21.333 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.456 13.910 -19.588 1.00 0.00 H new ATOM 0 HG SER A 6 9.313 13.696 -20.448 1.00 0.00 H new ATOM 59 N GLY A 7 13.877 16.069 -19.308 1.00 0.00 N ATOM 60 CA GLY A 7 15.292 15.947 -19.011 1.00 0.00 C ATOM 61 C GLY A 7 15.655 16.540 -17.664 1.00 0.00 C ATOM 62 O GLY A 7 15.508 17.742 -17.447 1.00 0.00 O ATOM 0 H GLY A 7 13.332 16.563 -18.602 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.574 14.894 -19.029 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.868 16.445 -19.791 1.00 0.00 H new ATOM 66 N GLY A 8 16.130 15.694 -16.755 1.00 0.00 N ATOM 67 CA GLY A 8 16.506 16.160 -15.433 1.00 0.00 C ATOM 68 C GLY A 8 16.763 15.020 -14.468 1.00 0.00 C ATOM 69 O GLY A 8 16.122 14.927 -13.421 1.00 0.00 O ATOM 0 H GLY A 8 16.261 14.694 -16.910 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.402 16.776 -15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.715 16.796 -15.037 1.00 0.00 H new ATOM 73 N MET A 9 17.704 14.150 -14.820 1.00 0.00 N ATOM 74 CA MET A 9 18.044 13.010 -13.977 1.00 0.00 C ATOM 75 C MET A 9 18.933 13.440 -12.814 1.00 0.00 C ATOM 76 O MET A 9 20.085 13.828 -13.010 1.00 0.00 O ATOM 77 CB MET A 9 18.749 11.931 -14.801 1.00 0.00 C ATOM 78 CG MET A 9 18.830 10.585 -14.098 1.00 0.00 C ATOM 79 SD MET A 9 19.868 9.403 -14.979 1.00 0.00 S ATOM 80 CE MET A 9 21.378 9.497 -14.020 1.00 0.00 C ATOM 0 H MET A 9 18.244 14.213 -15.683 1.00 0.00 H new ATOM 0 HA MET A 9 17.118 12.601 -13.572 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.223 11.806 -15.747 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.758 12.268 -15.039 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.223 10.728 -13.091 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.826 10.173 -13.993 1.00 0.00 H new ATOM 0 HE1 MET A 9 22.120 8.820 -14.443 1.00 0.00 H new ATOM 0 HE2 MET A 9 21.762 10.517 -14.045 1.00 0.00 H new ATOM 0 HE3 MET A 9 21.172 9.212 -12.988 1.00 0.00 H new ATOM 90 N LYS A 10 18.391 13.368 -11.603 1.00 0.00 N ATOM 91 CA LYS A 10 19.134 13.749 -10.408 1.00 0.00 C ATOM 92 C LYS A 10 19.983 12.587 -9.901 1.00 0.00 C ATOM 93 O LYS A 10 19.569 11.428 -9.964 1.00 0.00 O ATOM 94 CB LYS A 10 18.173 14.209 -9.309 1.00 0.00 C ATOM 95 CG LYS A 10 17.378 15.450 -9.677 1.00 0.00 C ATOM 96 CD LYS A 10 16.972 16.238 -8.443 1.00 0.00 C ATOM 97 CE LYS A 10 18.041 17.246 -8.049 1.00 0.00 C ATOM 98 NZ LYS A 10 17.662 18.006 -6.826 1.00 0.00 N ATOM 0 H LYS A 10 17.439 13.049 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 10 19.797 14.573 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.481 13.399 -9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.742 14.408 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.974 16.083 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.487 15.161 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.033 16.758 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.794 15.552 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.984 16.727 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.206 17.941 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.416 18.682 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.776 18.522 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.529 17.345 -6.034 1.00 0.00 H new ATOM 112 N THR A 11 21.172 12.903 -9.398 1.00 0.00 N ATOM 113 CA THR A 11 22.078 11.886 -8.880 1.00 0.00 C ATOM 114 C THR A 11 21.984 11.786 -7.362 1.00 0.00 C ATOM 115 O THR A 11 21.977 12.800 -6.664 1.00 0.00 O ATOM 116 CB THR A 11 23.537 12.180 -9.275 1.00 0.00 C ATOM 117 OG1 THR A 11 24.388 11.115 -8.836 1.00 0.00 O ATOM 118 CG2 THR A 11 24.007 13.494 -8.669 1.00 0.00 C ATOM 0 H THR A 11 21.530 13.856 -9.338 1.00 0.00 H new ATOM 0 HA THR A 11 21.774 10.937 -9.322 1.00 0.00 H new ATOM 0 HB THR A 11 23.587 12.260 -10.361 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.314 11.309 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 11 25.040 13.681 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.376 14.307 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.942 13.437 -7.582 1.00 0.00 H new ATOM 126 N SER A 12 21.913 10.559 -6.857 1.00 0.00 N ATOM 127 CA SER A 12 21.816 10.328 -5.421 1.00 0.00 C ATOM 128 C SER A 12 23.172 10.520 -4.747 1.00 0.00 C ATOM 129 O SER A 12 24.200 10.082 -5.261 1.00 0.00 O ATOM 130 CB SER A 12 21.292 8.918 -5.144 1.00 0.00 C ATOM 131 OG SER A 12 21.390 8.598 -3.767 1.00 0.00 O ATOM 0 H SER A 12 21.921 9.709 -7.421 1.00 0.00 H new ATOM 0 HA SER A 12 21.117 11.055 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.253 8.843 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.859 8.194 -5.730 1.00 0.00 H new ATOM 0 HG SER A 12 21.047 7.692 -3.616 1.00 0.00 H new ATOM 137 N GLY A 13 23.164 11.180 -3.593 1.00 0.00 N ATOM 138 CA GLY A 13 24.397 11.420 -2.867 1.00 0.00 C ATOM 139 C GLY A 13 24.859 10.202 -2.090 1.00 0.00 C ATOM 140 O GLY A 13 26.050 9.891 -2.059 1.00 0.00 O ATOM 0 H GLY A 13 22.325 11.553 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 13 25.176 11.717 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.254 12.253 -2.179 1.00 0.00 H new ATOM 144 N LYS A 14 23.915 9.512 -1.459 1.00 0.00 N ATOM 145 CA LYS A 14 24.230 8.322 -0.677 1.00 0.00 C ATOM 146 C LYS A 14 23.165 7.248 -0.870 1.00 0.00 C ATOM 147 O LYS A 14 21.979 7.552 -0.991 1.00 0.00 O ATOM 148 CB LYS A 14 24.348 8.678 0.806 1.00 0.00 C ATOM 149 CG LYS A 14 25.599 9.472 1.144 1.00 0.00 C ATOM 150 CD LYS A 14 25.903 9.427 2.632 1.00 0.00 C ATOM 151 CE LYS A 14 27.308 9.928 2.929 1.00 0.00 C ATOM 152 NZ LYS A 14 27.425 10.462 4.314 1.00 0.00 N ATOM 0 H LYS A 14 22.925 9.757 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 14 25.185 7.929 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.471 9.253 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 14 24.341 7.760 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 26.446 9.073 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.470 10.508 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 14 25.177 10.035 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 25.795 8.405 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 14 28.020 9.114 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.574 10.708 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 28.397 10.793 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 26.764 11.255 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.196 9.711 4.996 1.00 0.00 H new ATOM 166 N GLN A 15 23.597 5.991 -0.897 1.00 0.00 N ATOM 167 CA GLN A 15 22.680 4.872 -1.074 1.00 0.00 C ATOM 168 C GLN A 15 22.163 4.373 0.272 1.00 0.00 C ATOM 169 O GLN A 15 22.855 3.642 0.981 1.00 0.00 O ATOM 170 CB GLN A 15 23.371 3.731 -1.822 1.00 0.00 C ATOM 171 CG GLN A 15 23.416 3.931 -3.328 1.00 0.00 C ATOM 172 CD GLN A 15 22.036 4.065 -3.941 1.00 0.00 C ATOM 173 OE1 GLN A 15 21.024 3.850 -3.272 1.00 0.00 O ATOM 174 NE2 GLN A 15 21.987 4.422 -5.219 1.00 0.00 N ATOM 0 H GLN A 15 24.576 5.723 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 15 21.831 5.221 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 15 24.389 3.626 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.853 2.797 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.998 4.824 -3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.933 3.088 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.851 4.590 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 21.086 4.528 -5.685 1.00 0.00 H new ATOM 183 N ASP A 16 20.944 4.773 0.617 1.00 0.00 N ATOM 184 CA ASP A 16 20.334 4.366 1.878 1.00 0.00 C ATOM 185 C ASP A 16 18.930 3.817 1.650 1.00 0.00 C ATOM 186 O ASP A 16 18.039 4.534 1.194 1.00 0.00 O ATOM 187 CB ASP A 16 20.282 5.547 2.848 1.00 0.00 C ATOM 188 CG ASP A 16 21.647 6.162 3.087 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.077 6.992 2.259 1.00 0.00 O ATOM 190 OD2 ASP A 16 22.287 5.811 4.101 1.00 0.00 O ATOM 0 H ASP A 16 20.359 5.379 0.041 1.00 0.00 H new ATOM 0 HA ASP A 16 20.947 3.576 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.608 6.308 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.865 5.214 3.799 1.00 0.00 H new ATOM 195 N GLU A 17 18.740 2.540 1.968 1.00 0.00 N ATOM 196 CA GLU A 17 17.444 1.895 1.796 1.00 0.00 C ATOM 197 C GLU A 17 16.318 2.791 2.305 1.00 0.00 C ATOM 198 O GLU A 17 15.206 2.768 1.779 1.00 0.00 O ATOM 199 CB GLU A 17 17.415 0.553 2.530 1.00 0.00 C ATOM 200 CG GLU A 17 17.582 0.680 4.035 1.00 0.00 C ATOM 201 CD GLU A 17 18.986 1.090 4.434 1.00 0.00 C ATOM 202 OE1 GLU A 17 19.869 0.208 4.485 1.00 0.00 O ATOM 203 OE2 GLU A 17 19.203 2.291 4.696 1.00 0.00 O ATOM 0 H GLU A 17 19.467 1.932 2.346 1.00 0.00 H new ATOM 0 HA GLU A 17 17.293 1.721 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 17 16.470 0.053 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.208 -0.084 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.871 1.414 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.338 -0.273 4.505 1.00 0.00 H new ATOM 210 N ALA A 18 16.616 3.578 3.333 1.00 0.00 N ATOM 211 CA ALA A 18 15.631 4.482 3.913 1.00 0.00 C ATOM 212 C ALA A 18 14.955 5.323 2.835 1.00 0.00 C ATOM 213 O ALA A 18 13.737 5.269 2.666 1.00 0.00 O ATOM 214 CB ALA A 18 16.286 5.380 4.952 1.00 0.00 C ATOM 0 H ALA A 18 17.532 3.608 3.781 1.00 0.00 H new ATOM 0 HA ALA A 18 14.865 3.880 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.539 6.050 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.716 4.767 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.074 5.968 4.480 1.00 0.00 H new ATOM 220 N TRP A 19 15.753 6.098 2.111 1.00 0.00 N ATOM 221 CA TRP A 19 15.230 6.951 1.049 1.00 0.00 C ATOM 222 C TRP A 19 14.557 6.119 -0.037 1.00 0.00 C ATOM 223 O TRP A 19 13.575 6.550 -0.642 1.00 0.00 O ATOM 224 CB TRP A 19 16.355 7.791 0.441 1.00 0.00 C ATOM 225 CG TRP A 19 17.179 7.042 -0.563 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.443 6.557 -0.387 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.796 6.696 -1.898 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.870 5.930 -1.533 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.877 6.001 -2.475 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.645 6.904 -2.663 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.839 5.515 -3.779 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.609 6.422 -3.957 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.699 5.733 -4.504 1.00 0.00 C ATOM 0 H TRP A 19 16.763 6.154 2.239 1.00 0.00 H new ATOM 0 HA TRP A 19 14.484 7.615 1.485 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.924 8.671 -0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 19 17.005 8.148 1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 19 19.022 6.652 0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.778 5.484 -1.662 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.799 7.432 -2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.679 4.985 -4.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.725 6.579 -4.557 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.639 5.367 -5.518 1.00 0.00 H new ATOM 244 N ILE A 20 15.091 4.926 -0.278 1.00 0.00 N ATOM 245 CA ILE A 20 14.539 4.034 -1.290 1.00 0.00 C ATOM 246 C ILE A 20 13.119 3.608 -0.933 1.00 0.00 C ATOM 247 O ILE A 20 12.223 3.630 -1.777 1.00 0.00 O ATOM 248 CB ILE A 20 15.411 2.776 -1.466 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.754 3.145 -2.098 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.685 1.744 -2.316 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.693 1.968 -2.253 1.00 0.00 C ATOM 0 H ILE A 20 15.904 4.555 0.213 1.00 0.00 H new ATOM 0 HA ILE A 20 14.524 4.591 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 20 15.600 2.342 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.576 3.589 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.237 3.907 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.313 0.861 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.751 1.464 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.470 2.167 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.625 2.304 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.901 1.537 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.230 1.214 -2.890 1.00 0.00 H new ATOM 263 N MET A 21 12.921 3.224 0.324 1.00 0.00 N ATOM 264 CA MET A 21 11.608 2.796 0.793 1.00 0.00 C ATOM 265 C MET A 21 10.503 3.627 0.149 1.00 0.00 C ATOM 266 O MET A 21 9.477 3.093 -0.273 1.00 0.00 O ATOM 267 CB MET A 21 11.525 2.911 2.317 1.00 0.00 C ATOM 268 CG MET A 21 10.101 2.926 2.848 1.00 0.00 C ATOM 269 SD MET A 21 9.092 1.595 2.171 1.00 0.00 S ATOM 270 CE MET A 21 9.902 0.162 2.878 1.00 0.00 C ATOM 0 H MET A 21 13.652 3.200 1.035 1.00 0.00 H new ATOM 0 HA MET A 21 11.469 1.754 0.506 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.063 2.076 2.766 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.031 3.823 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.122 2.844 3.935 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.639 3.884 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.343 -0.437 2.081 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.685 0.488 3.562 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.172 -0.438 3.421 1.00 0.00 H new ATOM 280 N SER A 22 10.719 4.936 0.075 1.00 0.00 N ATOM 281 CA SER A 22 9.739 5.841 -0.514 1.00 0.00 C ATOM 282 C SER A 22 9.412 5.429 -1.946 1.00 0.00 C ATOM 283 O SER A 22 8.245 5.310 -2.318 1.00 0.00 O ATOM 284 CB SER A 22 10.263 7.279 -0.492 1.00 0.00 C ATOM 285 OG SER A 22 10.058 7.876 0.776 1.00 0.00 O ATOM 0 H SER A 22 11.564 5.394 0.416 1.00 0.00 H new ATOM 0 HA SER A 22 8.826 5.785 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.326 7.286 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.758 7.865 -1.260 1.00 0.00 H new ATOM 0 HG SER A 22 10.403 8.793 0.765 1.00 0.00 H new ATOM 291 N ARG A 23 10.452 5.213 -2.745 1.00 0.00 N ATOM 292 CA ARG A 23 10.277 4.816 -4.137 1.00 0.00 C ATOM 293 C ARG A 23 9.085 3.874 -4.288 1.00 0.00 C ATOM 294 O ARG A 23 8.135 4.169 -5.014 1.00 0.00 O ATOM 295 CB ARG A 23 11.545 4.139 -4.660 1.00 0.00 C ATOM 296 CG ARG A 23 12.692 5.104 -4.909 1.00 0.00 C ATOM 297 CD ARG A 23 13.620 4.596 -6.001 1.00 0.00 C ATOM 298 NE ARG A 23 13.022 4.718 -7.328 1.00 0.00 N ATOM 299 CZ ARG A 23 13.649 4.384 -8.451 1.00 0.00 C ATOM 300 NH1 ARG A 23 14.886 3.910 -8.407 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.038 4.524 -9.620 1.00 0.00 N ATOM 0 H ARG A 23 11.425 5.306 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 23 10.085 5.714 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.866 3.384 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.312 3.618 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.294 6.078 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.256 5.246 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.555 5.156 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.868 3.552 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 23 12.071 5.080 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.359 3.801 -7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.365 3.654 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.086 4.888 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.520 4.267 -10.481 1.00 0.00 H new ATOM 315 N LEU A 24 9.143 2.741 -3.598 1.00 0.00 N ATOM 316 CA LEU A 24 8.069 1.755 -3.655 1.00 0.00 C ATOM 317 C LEU A 24 6.745 2.365 -3.205 1.00 0.00 C ATOM 318 O LEU A 24 5.692 2.075 -3.774 1.00 0.00 O ATOM 319 CB LEU A 24 8.411 0.548 -2.779 1.00 0.00 C ATOM 320 CG LEU A 24 9.790 -0.073 -3.000 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.144 -1.009 -1.856 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.835 -0.812 -4.330 1.00 0.00 C ATOM 0 H LEU A 24 9.922 2.482 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 24 7.964 1.428 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.334 0.849 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.657 -0.222 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 24 10.528 0.729 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.129 -1.441 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.154 -0.451 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.403 -1.806 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.824 -1.248 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.086 -1.604 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.627 -0.114 -5.141 1.00 0.00 H new ATOM 334 N ILE A 25 6.807 3.213 -2.184 1.00 0.00 N ATOM 335 CA ILE A 25 5.614 3.866 -1.661 1.00 0.00 C ATOM 336 C ILE A 25 4.941 4.719 -2.731 1.00 0.00 C ATOM 337 O ILE A 25 3.743 4.587 -2.985 1.00 0.00 O ATOM 338 CB ILE A 25 5.944 4.753 -0.446 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.668 3.937 0.626 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.674 5.372 0.119 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.734 3.172 1.537 1.00 0.00 C ATOM 0 H ILE A 25 7.671 3.464 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 25 4.933 3.075 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 25 6.603 5.558 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.345 3.234 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.282 4.607 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.924 5.996 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.195 5.983 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.992 4.581 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.317 2.617 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.073 3.871 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.138 2.477 0.946 1.00 0.00 H new ATOM 353 N LYS A 26 5.719 5.595 -3.358 1.00 0.00 N ATOM 354 CA LYS A 26 5.201 6.469 -4.404 1.00 0.00 C ATOM 355 C LYS A 26 4.241 5.714 -5.318 1.00 0.00 C ATOM 356 O LYS A 26 3.066 6.066 -5.424 1.00 0.00 O ATOM 357 CB LYS A 26 6.352 7.051 -5.227 1.00 0.00 C ATOM 358 CG LYS A 26 5.981 8.315 -5.983 1.00 0.00 C ATOM 359 CD LYS A 26 6.947 8.587 -7.124 1.00 0.00 C ATOM 360 CE LYS A 26 6.536 9.815 -7.922 1.00 0.00 C ATOM 361 NZ LYS A 26 7.194 9.855 -9.257 1.00 0.00 N ATOM 0 H LYS A 26 6.712 5.719 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 26 4.656 7.283 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.189 7.267 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.695 6.300 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.969 8.221 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.979 9.162 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.951 8.730 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.986 7.720 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.454 9.819 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.794 10.714 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.888 10.707 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.227 9.877 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.928 9.009 -9.801 1.00 0.00 H new ATOM 375 N GLN A 27 4.748 4.674 -5.973 1.00 0.00 N ATOM 376 CA GLN A 27 3.934 3.870 -6.876 1.00 0.00 C ATOM 377 C GLN A 27 2.541 3.642 -6.297 1.00 0.00 C ATOM 378 O GLN A 27 1.542 3.698 -7.014 1.00 0.00 O ATOM 379 CB GLN A 27 4.612 2.526 -7.148 1.00 0.00 C ATOM 380 CG GLN A 27 5.562 2.554 -8.334 1.00 0.00 C ATOM 381 CD GLN A 27 4.838 2.683 -9.660 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.474 3.783 -10.077 1.00 0.00 O ATOM 383 NE2 GLN A 27 4.625 1.556 -10.330 1.00 0.00 N ATOM 0 H GLN A 27 5.718 4.369 -5.895 1.00 0.00 H new ATOM 0 HA GLN A 27 3.833 4.415 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.163 2.220 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.846 1.771 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.255 3.388 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.159 1.642 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.944 0.666 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.142 1.580 -11.228 1.00 0.00 H new ATOM 392 N LEU A 28 2.483 3.384 -4.995 1.00 0.00 N ATOM 393 CA LEU A 28 1.212 3.147 -4.318 1.00 0.00 C ATOM 394 C LEU A 28 0.467 4.458 -4.084 1.00 0.00 C ATOM 395 O LEU A 28 -0.704 4.591 -4.442 1.00 0.00 O ATOM 396 CB LEU A 28 1.447 2.436 -2.984 1.00 0.00 C ATOM 397 CG LEU A 28 1.455 0.908 -3.031 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.513 0.409 -4.003 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.691 0.333 -1.641 1.00 0.00 C ATOM 0 H LEU A 28 3.301 3.334 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 28 0.600 2.512 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.402 2.772 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.674 2.754 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 28 0.480 0.569 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.504 -0.681 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.300 0.792 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.495 0.758 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.694 -0.756 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.652 0.680 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.896 0.662 -0.971 1.00 0.00 H new ATOM 411 N THR A 29 1.154 5.424 -3.484 1.00 0.00 N ATOM 412 CA THR A 29 0.558 6.725 -3.203 1.00 0.00 C ATOM 413 C THR A 29 -0.159 7.277 -4.430 1.00 0.00 C ATOM 414 O THR A 29 -1.071 8.095 -4.311 1.00 0.00 O ATOM 415 CB THR A 29 1.619 7.741 -2.742 1.00 0.00 C ATOM 416 OG1 THR A 29 2.542 8.003 -3.806 1.00 0.00 O ATOM 417 CG2 THR A 29 2.373 7.223 -1.527 1.00 0.00 C ATOM 0 H THR A 29 2.124 5.331 -3.183 1.00 0.00 H new ATOM 0 HA THR A 29 -0.164 6.576 -2.400 1.00 0.00 H new ATOM 0 HB THR A 29 1.110 8.665 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.423 7.336 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.117 7.958 -1.220 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.672 7.052 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.871 6.287 -1.780 1.00 0.00 H new ATOM 425 N ASP A 30 0.258 6.824 -5.607 1.00 0.00 N ATOM 426 CA ASP A 30 -0.346 7.272 -6.856 1.00 0.00 C ATOM 427 C ASP A 30 -1.595 6.457 -7.179 1.00 0.00 C ATOM 428 O ASP A 30 -2.536 6.961 -7.791 1.00 0.00 O ATOM 429 CB ASP A 30 0.660 7.161 -8.003 1.00 0.00 C ATOM 430 CG ASP A 30 0.376 8.146 -9.120 1.00 0.00 C ATOM 431 OD1 ASP A 30 -0.205 9.215 -8.835 1.00 0.00 O ATOM 432 OD2 ASP A 30 0.735 7.849 -10.278 1.00 0.00 O ATOM 0 H ASP A 30 1.012 6.147 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.636 8.316 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.665 7.332 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.640 6.147 -8.403 1.00 0.00 H new ATOM 437 N MET A 31 -1.595 5.194 -6.763 1.00 0.00 N ATOM 438 CA MET A 31 -2.729 4.310 -7.007 1.00 0.00 C ATOM 439 C MET A 31 -3.956 4.771 -6.228 1.00 0.00 C ATOM 440 O MET A 31 -4.964 5.163 -6.814 1.00 0.00 O ATOM 441 CB MET A 31 -2.374 2.873 -6.620 1.00 0.00 C ATOM 442 CG MET A 31 -1.362 2.225 -7.551 1.00 0.00 C ATOM 443 SD MET A 31 -1.287 0.434 -7.357 1.00 0.00 S ATOM 444 CE MET A 31 -0.138 0.288 -5.991 1.00 0.00 C ATOM 0 H MET A 31 -0.823 4.761 -6.256 1.00 0.00 H new ATOM 0 HA MET A 31 -2.963 4.345 -8.071 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.978 2.866 -5.605 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.284 2.273 -6.611 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.618 2.464 -8.583 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.376 2.649 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.351 -0.686 -6.029 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.614 1.074 -6.062 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.678 0.386 -5.049 1.00 0.00 H new ATOM 454 N GLY A 32 -3.864 4.720 -4.903 1.00 0.00 N ATOM 455 CA GLY A 32 -4.974 5.135 -4.065 1.00 0.00 C ATOM 456 C GLY A 32 -4.863 4.604 -2.650 1.00 0.00 C ATOM 457 O GLY A 32 -5.861 4.206 -2.048 1.00 0.00 O ATOM 0 H GLY A 32 -3.040 4.399 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.018 6.224 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.908 4.789 -4.507 1.00 0.00 H new ATOM 461 N PHE A 33 -3.646 4.596 -2.117 1.00 0.00 N ATOM 462 CA PHE A 33 -3.407 4.107 -0.763 1.00 0.00 C ATOM 463 C PHE A 33 -2.433 5.016 -0.021 1.00 0.00 C ATOM 464 O PHE A 33 -1.490 5.561 -0.596 1.00 0.00 O ATOM 465 CB PHE A 33 -2.860 2.679 -0.804 1.00 0.00 C ATOM 466 CG PHE A 33 -3.541 1.805 -1.818 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.900 1.550 -1.732 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.822 1.237 -2.857 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.529 0.746 -2.663 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.445 0.432 -3.792 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.800 0.187 -3.695 1.00 0.00 C ATOM 0 H PHE A 33 -2.810 4.922 -2.601 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.357 4.110 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.793 2.713 -1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.968 2.229 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.475 1.985 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.762 1.426 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.589 0.555 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.873 -0.005 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.290 -0.441 -4.425 1.00 0.00 H new ATOM 481 N PRO A 34 -2.664 5.186 1.290 1.00 0.00 N ATOM 482 CA PRO A 34 -1.818 6.028 2.141 1.00 0.00 C ATOM 483 C PRO A 34 -0.436 5.424 2.363 1.00 0.00 C ATOM 484 O PRO A 34 -0.248 4.215 2.231 1.00 0.00 O ATOM 485 CB PRO A 34 -2.593 6.091 3.459 1.00 0.00 C ATOM 486 CG PRO A 34 -3.414 4.848 3.476 1.00 0.00 C ATOM 487 CD PRO A 34 -3.769 4.567 2.042 1.00 0.00 C ATOM 0 HA PRO A 34 -1.632 7.004 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.918 6.131 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.221 6.981 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.857 4.018 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.311 4.981 4.081 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.838 3.497 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.732 5.002 1.773 1.00 0.00 H new ATOM 495 N ARG A 35 0.528 6.274 2.701 1.00 0.00 N ATOM 496 CA ARG A 35 1.894 5.824 2.941 1.00 0.00 C ATOM 497 C ARG A 35 1.980 5.012 4.230 1.00 0.00 C ATOM 498 O ARG A 35 2.858 4.163 4.382 1.00 0.00 O ATOM 499 CB ARG A 35 2.843 7.021 3.015 1.00 0.00 C ATOM 500 CG ARG A 35 2.499 8.003 4.122 1.00 0.00 C ATOM 501 CD ARG A 35 3.048 9.391 3.827 1.00 0.00 C ATOM 502 NE ARG A 35 3.225 10.179 5.043 1.00 0.00 N ATOM 503 CZ ARG A 35 2.224 10.762 5.694 1.00 0.00 C ATOM 504 NH1 ARG A 35 0.981 10.644 5.247 1.00 0.00 N ATOM 505 NH2 ARG A 35 2.465 11.463 6.794 1.00 0.00 N ATOM 0 H ARG A 35 0.388 7.278 2.815 1.00 0.00 H new ATOM 0 HA ARG A 35 2.191 5.185 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.860 6.659 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.829 7.545 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.417 8.056 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.905 7.644 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.004 9.301 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.370 9.913 3.152 1.00 0.00 H new ATOM 0 HE ARG A 35 4.169 10.288 5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.792 10.105 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.214 11.092 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.420 11.555 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.696 11.910 7.293 1.00 0.00 H new ATOM 519 N GLU A 36 1.064 5.281 5.155 1.00 0.00 N ATOM 520 CA GLU A 36 1.038 4.576 6.431 1.00 0.00 C ATOM 521 C GLU A 36 1.230 3.076 6.228 1.00 0.00 C ATOM 522 O GLU A 36 2.222 2.487 6.658 1.00 0.00 O ATOM 523 CB GLU A 36 -0.283 4.839 7.157 1.00 0.00 C ATOM 524 CG GLU A 36 -0.204 5.965 8.175 1.00 0.00 C ATOM 525 CD GLU A 36 -1.526 6.686 8.351 1.00 0.00 C ATOM 526 OE1 GLU A 36 -1.898 7.473 7.455 1.00 0.00 O ATOM 527 OE2 GLU A 36 -2.190 6.462 9.385 1.00 0.00 O ATOM 0 H GLU A 36 0.331 5.981 5.045 1.00 0.00 H new ATOM 0 HA GLU A 36 1.860 4.950 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.051 5.079 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.599 3.926 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.115 5.560 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.557 6.680 7.862 1.00 0.00 H new ATOM 534 N PRO A 37 0.257 2.441 5.557 1.00 0.00 N ATOM 535 CA PRO A 37 0.295 1.002 5.282 1.00 0.00 C ATOM 536 C PRO A 37 1.370 0.634 4.265 1.00 0.00 C ATOM 537 O PRO A 37 2.180 -0.262 4.501 1.00 0.00 O ATOM 538 CB PRO A 37 -1.098 0.712 4.715 1.00 0.00 C ATOM 539 CG PRO A 37 -1.551 2.011 4.142 1.00 0.00 C ATOM 540 CD PRO A 37 -0.954 3.080 5.016 1.00 0.00 C ATOM 0 HA PRO A 37 0.537 0.423 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.061 -0.066 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.778 0.364 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.218 2.120 3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.639 2.076 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.714 3.978 4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.639 3.380 5.809 1.00 0.00 H new ATOM 548 N ALA A 38 1.372 1.332 3.134 1.00 0.00 N ATOM 549 CA ALA A 38 2.350 1.080 2.083 1.00 0.00 C ATOM 550 C ALA A 38 3.744 0.880 2.667 1.00 0.00 C ATOM 551 O ALA A 38 4.589 0.218 2.065 1.00 0.00 O ATOM 552 CB ALA A 38 2.354 2.225 1.081 1.00 0.00 C ATOM 0 H ALA A 38 0.707 2.076 2.922 1.00 0.00 H new ATOM 0 HA ALA A 38 2.066 0.162 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.089 2.024 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.365 2.319 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.611 3.154 1.591 1.00 0.00 H new ATOM 558 N GLU A 39 3.977 1.456 3.841 1.00 0.00 N ATOM 559 CA GLU A 39 5.271 1.341 4.505 1.00 0.00 C ATOM 560 C GLU A 39 5.349 0.057 5.325 1.00 0.00 C ATOM 561 O GLU A 39 6.195 -0.801 5.074 1.00 0.00 O ATOM 562 CB GLU A 39 5.515 2.552 5.408 1.00 0.00 C ATOM 563 CG GLU A 39 6.837 2.496 6.156 1.00 0.00 C ATOM 564 CD GLU A 39 6.748 1.689 7.437 1.00 0.00 C ATOM 565 OE1 GLU A 39 5.642 1.607 8.010 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.785 1.141 7.866 1.00 0.00 O ATOM 0 H GLU A 39 3.288 2.007 4.353 1.00 0.00 H new ATOM 0 HA GLU A 39 6.044 1.308 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.488 3.458 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.702 2.627 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.598 2.061 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.160 3.510 6.391 1.00 0.00 H new ATOM 573 N GLU A 40 4.462 -0.066 6.307 1.00 0.00 N ATOM 574 CA GLU A 40 4.432 -1.245 7.165 1.00 0.00 C ATOM 575 C GLU A 40 4.404 -2.524 6.333 1.00 0.00 C ATOM 576 O GLU A 40 5.150 -3.466 6.597 1.00 0.00 O ATOM 577 CB GLU A 40 3.214 -1.199 8.090 1.00 0.00 C ATOM 578 CG GLU A 40 1.933 -1.687 7.435 1.00 0.00 C ATOM 579 CD GLU A 40 0.729 -1.574 8.350 1.00 0.00 C ATOM 580 OE1 GLU A 40 0.402 -0.443 8.765 1.00 0.00 O ATOM 581 OE2 GLU A 40 0.114 -2.619 8.652 1.00 0.00 O ATOM 0 H GLU A 40 3.755 0.635 6.528 1.00 0.00 H new ATOM 0 HA GLU A 40 5.339 -1.245 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.415 -1.807 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.069 -0.175 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.751 -1.110 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.058 -2.727 7.132 1.00 0.00 H new ATOM 588 N ALA A 41 3.537 -2.548 5.325 1.00 0.00 N ATOM 589 CA ALA A 41 3.412 -3.709 4.453 1.00 0.00 C ATOM 590 C ALA A 41 4.764 -4.105 3.869 1.00 0.00 C ATOM 591 O ALA A 41 5.311 -5.157 4.200 1.00 0.00 O ATOM 592 CB ALA A 41 2.415 -3.427 3.339 1.00 0.00 C ATOM 0 H ALA A 41 2.911 -1.777 5.093 1.00 0.00 H new ATOM 0 HA ALA A 41 3.046 -4.544 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.331 -4.303 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.441 -3.200 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.758 -2.576 2.751 1.00 0.00 H new ATOM 598 N LEU A 42 5.297 -3.256 2.997 1.00 0.00 N ATOM 599 CA LEU A 42 6.586 -3.517 2.365 1.00 0.00 C ATOM 600 C LEU A 42 7.563 -4.138 3.358 1.00 0.00 C ATOM 601 O LEU A 42 8.095 -5.224 3.126 1.00 0.00 O ATOM 602 CB LEU A 42 7.170 -2.222 1.798 1.00 0.00 C ATOM 603 CG LEU A 42 6.417 -1.606 0.619 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.960 -0.221 0.304 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.509 -2.507 -0.603 1.00 0.00 C ATOM 0 H LEU A 42 4.857 -2.381 2.711 1.00 0.00 H new ATOM 0 HA LEU A 42 6.427 -4.223 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.214 -1.485 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.196 -2.416 1.486 1.00 0.00 H new ATOM 0 HG LEU A 42 5.367 -1.508 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.412 0.202 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.841 0.423 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.017 -0.294 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.967 -2.052 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.555 -2.637 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.071 -3.478 -0.373 1.00 0.00 H new ATOM 617 N LYS A 43 7.794 -3.442 4.466 1.00 0.00 N ATOM 618 CA LYS A 43 8.705 -3.925 5.497 1.00 0.00 C ATOM 619 C LYS A 43 8.508 -5.418 5.741 1.00 0.00 C ATOM 620 O LYS A 43 9.471 -6.154 5.955 1.00 0.00 O ATOM 621 CB LYS A 43 8.489 -3.152 6.800 1.00 0.00 C ATOM 622 CG LYS A 43 8.891 -1.690 6.713 1.00 0.00 C ATOM 623 CD LYS A 43 10.402 -1.526 6.723 1.00 0.00 C ATOM 624 CE LYS A 43 10.958 -1.569 8.138 1.00 0.00 C ATOM 625 NZ LYS A 43 10.547 -0.377 8.932 1.00 0.00 N ATOM 0 H LYS A 43 7.363 -2.541 4.673 1.00 0.00 H new ATOM 0 HA LYS A 43 9.725 -3.763 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.437 -3.215 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.060 -3.631 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.483 -1.253 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.459 -1.142 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.859 -2.316 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.669 -0.579 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.612 -2.474 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.046 -1.622 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.201 -0.250 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.571 0.468 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.582 -0.516 9.293 1.00 0.00 H new ATOM 639 N SER A 44 7.254 -5.859 5.706 1.00 0.00 N ATOM 640 CA SER A 44 6.931 -7.264 5.926 1.00 0.00 C ATOM 641 C SER A 44 6.839 -8.014 4.601 1.00 0.00 C ATOM 642 O SER A 44 6.940 -9.239 4.560 1.00 0.00 O ATOM 643 CB SER A 44 5.612 -7.392 6.690 1.00 0.00 C ATOM 644 OG SER A 44 5.703 -6.791 7.970 1.00 0.00 O ATOM 0 H SER A 44 6.445 -5.263 5.527 1.00 0.00 H new ATOM 0 HA SER A 44 7.731 -7.707 6.519 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.811 -6.921 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.351 -8.445 6.797 1.00 0.00 H new ATOM 0 HG SER A 44 4.847 -6.885 8.437 1.00 0.00 H new ATOM 650 N ASN A 45 6.648 -7.267 3.518 1.00 0.00 N ATOM 651 CA ASN A 45 6.542 -7.860 2.189 1.00 0.00 C ATOM 652 C ASN A 45 7.884 -7.814 1.464 1.00 0.00 C ATOM 653 O ASN A 45 7.937 -7.826 0.235 1.00 0.00 O ATOM 654 CB ASN A 45 5.479 -7.131 1.366 1.00 0.00 C ATOM 655 CG ASN A 45 4.075 -7.388 1.877 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.595 -8.521 1.861 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.409 -6.333 2.332 1.00 0.00 N ATOM 0 H ASN A 45 6.563 -6.251 3.534 1.00 0.00 H new ATOM 0 HA ASN A 45 6.248 -8.903 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.679 -6.060 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.548 -7.449 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.459 -6.444 2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.847 -5.412 2.326 1.00 0.00 H new ATOM 664 N ASN A 46 8.965 -7.762 2.235 1.00 0.00 N ATOM 665 CA ASN A 46 10.308 -7.714 1.667 1.00 0.00 C ATOM 666 C ASN A 46 10.370 -6.730 0.502 1.00 0.00 C ATOM 667 O ASN A 46 10.865 -7.060 -0.576 1.00 0.00 O ATOM 668 CB ASN A 46 10.735 -9.106 1.197 1.00 0.00 C ATOM 669 CG ASN A 46 10.368 -10.190 2.192 1.00 0.00 C ATOM 670 OD1 ASN A 46 9.260 -10.727 2.161 1.00 0.00 O ATOM 671 ND2 ASN A 46 11.299 -10.517 3.081 1.00 0.00 N ATOM 0 H ASN A 46 8.938 -7.752 3.255 1.00 0.00 H new ATOM 0 HA ASN A 46 10.993 -7.374 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.265 -9.323 0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.813 -9.117 1.033 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.110 -11.240 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.203 -10.045 3.069 1.00 0.00 H new ATOM 678 N MET A 47 9.866 -5.521 0.728 1.00 0.00 N ATOM 679 CA MET A 47 9.866 -4.489 -0.302 1.00 0.00 C ATOM 680 C MET A 47 9.329 -5.036 -1.621 1.00 0.00 C ATOM 681 O MET A 47 9.987 -4.943 -2.656 1.00 0.00 O ATOM 682 CB MET A 47 11.280 -3.940 -0.503 1.00 0.00 C ATOM 683 CG MET A 47 11.771 -3.088 0.656 1.00 0.00 C ATOM 684 SD MET A 47 11.717 -3.962 2.232 1.00 0.00 S ATOM 685 CE MET A 47 11.117 -2.668 3.316 1.00 0.00 C ATOM 0 H MET A 47 9.453 -5.232 1.615 1.00 0.00 H new ATOM 0 HA MET A 47 9.213 -3.681 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.967 -4.773 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.304 -3.345 -1.416 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.794 -2.767 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.161 -2.187 0.723 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.311 -2.943 4.353 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.629 -1.734 3.086 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.045 -2.539 3.170 1.00 0.00 H new ATOM 695 N ASN A 48 8.129 -5.607 -1.574 1.00 0.00 N ATOM 696 CA ASN A 48 7.504 -6.170 -2.765 1.00 0.00 C ATOM 697 C ASN A 48 6.238 -5.401 -3.130 1.00 0.00 C ATOM 698 O ASN A 48 5.378 -5.162 -2.282 1.00 0.00 O ATOM 699 CB ASN A 48 7.171 -7.647 -2.542 1.00 0.00 C ATOM 700 CG ASN A 48 8.404 -8.529 -2.574 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.532 -8.037 -2.628 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.195 -9.840 -2.541 1.00 0.00 N ATOM 0 H ASN A 48 7.571 -5.692 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 48 8.210 -6.084 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.670 -7.763 -1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.471 -7.978 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.986 -10.483 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.243 -10.204 -2.496 1.00 0.00 H new ATOM 709 N LEU A 49 6.131 -5.017 -4.398 1.00 0.00 N ATOM 710 CA LEU A 49 4.969 -4.275 -4.876 1.00 0.00 C ATOM 711 C LEU A 49 3.776 -5.204 -5.078 1.00 0.00 C ATOM 712 O LEU A 49 2.707 -4.990 -4.505 1.00 0.00 O ATOM 713 CB LEU A 49 5.301 -3.560 -6.187 1.00 0.00 C ATOM 714 CG LEU A 49 4.524 -2.273 -6.465 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.836 -1.223 -5.411 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.843 -1.747 -7.857 1.00 0.00 C ATOM 0 H LEU A 49 6.834 -5.207 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 49 4.705 -3.534 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.366 -3.326 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.124 -4.252 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 49 3.458 -2.498 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.274 -0.314 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.555 -1.600 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.903 -1.001 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.281 -0.831 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.910 -1.539 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.566 -2.494 -8.601 1.00 0.00 H new ATOM 728 N ASP A 50 3.966 -6.235 -5.893 1.00 0.00 N ATOM 729 CA ASP A 50 2.907 -7.198 -6.168 1.00 0.00 C ATOM 730 C ASP A 50 2.374 -7.804 -4.874 1.00 0.00 C ATOM 731 O ASP A 50 1.167 -7.985 -4.713 1.00 0.00 O ATOM 732 CB ASP A 50 3.421 -8.305 -7.090 1.00 0.00 C ATOM 733 CG ASP A 50 3.519 -7.856 -8.535 1.00 0.00 C ATOM 734 OD1 ASP A 50 2.515 -7.335 -9.064 1.00 0.00 O ATOM 735 OD2 ASP A 50 4.600 -8.026 -9.137 1.00 0.00 O ATOM 0 H ASP A 50 4.844 -6.425 -6.375 1.00 0.00 H new ATOM 0 HA ASP A 50 2.092 -6.672 -6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.402 -8.633 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.756 -9.166 -7.024 1.00 0.00 H new ATOM 740 N GLN A 51 3.282 -8.116 -3.955 1.00 0.00 N ATOM 741 CA GLN A 51 2.903 -8.704 -2.675 1.00 0.00 C ATOM 742 C GLN A 51 2.254 -7.662 -1.769 1.00 0.00 C ATOM 743 O GLN A 51 1.206 -7.910 -1.173 1.00 0.00 O ATOM 744 CB GLN A 51 4.127 -9.307 -1.984 1.00 0.00 C ATOM 745 CG GLN A 51 4.488 -10.694 -2.489 1.00 0.00 C ATOM 746 CD GLN A 51 3.642 -11.783 -1.859 1.00 0.00 C ATOM 747 OE1 GLN A 51 3.655 -11.970 -0.642 1.00 0.00 O ATOM 748 NE2 GLN A 51 2.900 -12.510 -2.687 1.00 0.00 N ATOM 0 H GLN A 51 4.285 -7.972 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 51 2.178 -9.495 -2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.979 -8.643 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.941 -9.357 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.366 -10.725 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.540 -10.890 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.920 -12.321 -3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.311 -13.258 -2.321 1.00 0.00 H new ATOM 757 N ALA A 52 2.885 -6.497 -1.670 1.00 0.00 N ATOM 758 CA ALA A 52 2.368 -5.417 -0.838 1.00 0.00 C ATOM 759 C ALA A 52 0.942 -5.051 -1.236 1.00 0.00 C ATOM 760 O ALA A 52 0.045 -5.005 -0.395 1.00 0.00 O ATOM 761 CB ALA A 52 3.274 -4.198 -0.932 1.00 0.00 C ATOM 0 H ALA A 52 3.755 -6.277 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 52 2.351 -5.764 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.876 -3.400 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.275 -4.462 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.321 -3.858 -1.967 1.00 0.00 H new ATOM 767 N MET A 53 0.741 -4.790 -2.524 1.00 0.00 N ATOM 768 CA MET A 53 -0.577 -4.428 -3.033 1.00 0.00 C ATOM 769 C MET A 53 -1.643 -5.387 -2.512 1.00 0.00 C ATOM 770 O MET A 53 -2.589 -4.974 -1.842 1.00 0.00 O ATOM 771 CB MET A 53 -0.574 -4.431 -4.562 1.00 0.00 C ATOM 772 CG MET A 53 0.073 -3.198 -5.171 1.00 0.00 C ATOM 773 SD MET A 53 0.793 -3.520 -6.792 1.00 0.00 S ATOM 774 CE MET A 53 -0.623 -3.245 -7.854 1.00 0.00 C ATOM 0 H MET A 53 1.473 -4.822 -3.233 1.00 0.00 H new ATOM 0 HA MET A 53 -0.813 -3.424 -2.680 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.048 -5.319 -4.914 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.601 -4.506 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.672 -2.408 -5.259 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.849 -2.831 -4.500 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.664 -4.025 -8.615 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.535 -3.271 -7.258 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.532 -2.272 -8.336 1.00 0.00 H new ATOM 784 N SER A 54 -1.483 -6.669 -2.826 1.00 0.00 N ATOM 785 CA SER A 54 -2.434 -7.686 -2.393 1.00 0.00 C ATOM 786 C SER A 54 -2.684 -7.592 -0.891 1.00 0.00 C ATOM 787 O SER A 54 -3.823 -7.682 -0.434 1.00 0.00 O ATOM 788 CB SER A 54 -1.918 -9.082 -2.749 1.00 0.00 C ATOM 789 OG SER A 54 -2.976 -10.024 -2.783 1.00 0.00 O ATOM 0 H SER A 54 -0.704 -7.028 -3.378 1.00 0.00 H new ATOM 0 HA SER A 54 -3.376 -7.511 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.422 -9.053 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.172 -9.395 -2.018 1.00 0.00 H new ATOM 0 HG SER A 54 -2.620 -10.907 -3.014 1.00 0.00 H new ATOM 795 N ALA A 55 -1.611 -7.410 -0.129 1.00 0.00 N ATOM 796 CA ALA A 55 -1.713 -7.302 1.321 1.00 0.00 C ATOM 797 C ALA A 55 -2.680 -6.193 1.722 1.00 0.00 C ATOM 798 O ALA A 55 -3.342 -6.276 2.757 1.00 0.00 O ATOM 799 CB ALA A 55 -0.341 -7.053 1.930 1.00 0.00 C ATOM 0 H ALA A 55 -0.661 -7.334 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.103 -8.245 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.433 -6.974 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.323 -7.881 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.071 -6.125 1.533 1.00 0.00 H new ATOM 805 N LEU A 56 -2.756 -5.154 0.897 1.00 0.00 N ATOM 806 CA LEU A 56 -3.643 -4.027 1.166 1.00 0.00 C ATOM 807 C LEU A 56 -5.030 -4.274 0.582 1.00 0.00 C ATOM 808 O LEU A 56 -6.044 -3.988 1.220 1.00 0.00 O ATOM 809 CB LEU A 56 -3.054 -2.740 0.585 1.00 0.00 C ATOM 810 CG LEU A 56 -1.573 -2.491 0.870 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.958 -1.623 -0.217 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.394 -1.844 2.236 1.00 0.00 C ATOM 0 H LEU A 56 -2.215 -5.069 0.037 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.738 -3.921 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.198 -2.754 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.625 -1.896 0.972 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.058 -3.451 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.096 -1.457 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.053 -2.124 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.476 -0.665 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.334 -1.674 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.924 -0.892 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.796 -2.502 3.006 1.00 0.00 H new ATOM 824 N LEU A 57 -5.068 -4.809 -0.634 1.00 0.00 N ATOM 825 CA LEU A 57 -6.332 -5.097 -1.303 1.00 0.00 C ATOM 826 C LEU A 57 -7.159 -6.096 -0.500 1.00 0.00 C ATOM 827 O LEU A 57 -8.388 -6.059 -0.524 1.00 0.00 O ATOM 828 CB LEU A 57 -6.074 -5.645 -2.708 1.00 0.00 C ATOM 829 CG LEU A 57 -5.771 -4.606 -3.788 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.867 -5.198 -4.859 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.062 -4.086 -4.405 1.00 0.00 C ATOM 0 H LEU A 57 -4.239 -5.052 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.894 -4.166 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.237 -6.341 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.947 -6.219 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.250 -3.768 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.662 -4.444 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.930 -5.521 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.361 -6.053 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.827 -3.348 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.610 -4.914 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.675 -3.623 -3.631 1.00 0.00 H new ATOM 843 N GLU A 58 -6.474 -6.985 0.213 1.00 0.00 N ATOM 844 CA GLU A 58 -7.147 -7.993 1.025 1.00 0.00 C ATOM 845 C GLU A 58 -8.230 -7.358 1.892 1.00 0.00 C ATOM 846 O GLU A 58 -9.234 -7.993 2.216 1.00 0.00 O ATOM 847 CB GLU A 58 -6.135 -8.725 1.909 1.00 0.00 C ATOM 848 CG GLU A 58 -5.704 -7.930 3.130 1.00 0.00 C ATOM 849 CD GLU A 58 -6.589 -8.185 4.334 1.00 0.00 C ATOM 850 OE1 GLU A 58 -7.709 -8.704 4.148 1.00 0.00 O ATOM 851 OE2 GLU A 58 -6.161 -7.866 5.463 1.00 0.00 O ATOM 0 H GLU A 58 -5.455 -7.028 0.245 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.618 -8.710 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.568 -9.670 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.254 -8.967 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.674 -8.185 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.720 -6.867 2.891 1.00 0.00 H new ATOM 858 N LYS A 59 -8.020 -6.100 2.265 1.00 0.00 N ATOM 859 CA LYS A 59 -8.977 -5.377 3.094 1.00 0.00 C ATOM 860 C LYS A 59 -10.078 -4.757 2.239 1.00 0.00 C ATOM 861 O LYS A 59 -10.578 -3.673 2.542 1.00 0.00 O ATOM 862 CB LYS A 59 -8.266 -4.287 3.898 1.00 0.00 C ATOM 863 CG LYS A 59 -7.262 -4.828 4.901 1.00 0.00 C ATOM 864 CD LYS A 59 -7.909 -5.089 6.251 1.00 0.00 C ATOM 865 CE LYS A 59 -6.900 -4.976 7.384 1.00 0.00 C ATOM 866 NZ LYS A 59 -6.112 -6.228 7.551 1.00 0.00 N ATOM 0 H LYS A 59 -7.195 -5.560 2.006 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.433 -6.088 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.753 -3.615 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.011 -3.693 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.827 -5.752 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.445 -4.116 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.719 -4.377 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.354 -6.084 6.256 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.223 -4.145 7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.422 -4.748 8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.150 -5.993 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.572 -6.836 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.063 -6.731 6.642 1.00 0.00 H new ATOM 880 N LYS A 60 -10.452 -5.451 1.169 1.00 0.00 N ATOM 881 CA LYS A 60 -11.495 -4.971 0.271 1.00 0.00 C ATOM 882 C LYS A 60 -11.425 -3.455 0.118 1.00 0.00 C ATOM 883 O LYS A 60 -12.452 -2.778 0.067 1.00 0.00 O ATOM 884 CB LYS A 60 -12.874 -5.378 0.794 1.00 0.00 C ATOM 885 CG LYS A 60 -13.902 -5.594 -0.303 1.00 0.00 C ATOM 886 CD LYS A 60 -13.864 -7.020 -0.829 1.00 0.00 C ATOM 887 CE LYS A 60 -14.813 -7.924 -0.057 1.00 0.00 C ATOM 888 NZ LYS A 60 -14.142 -8.568 1.106 1.00 0.00 N ATOM 0 H LYS A 60 -10.047 -6.349 0.903 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.336 -5.425 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.777 -6.295 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.237 -4.607 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.898 -5.373 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.715 -4.898 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.132 -7.027 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.848 -7.409 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.666 -7.342 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.204 -8.694 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.664 -9.426 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.168 -8.823 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.125 -7.906 1.908 1.00 0.00 H new ATOM 902 N VAL A 61 -10.207 -2.928 0.043 1.00 0.00 N ATOM 903 CA VAL A 61 -10.004 -1.492 -0.108 1.00 0.00 C ATOM 904 C VAL A 61 -10.385 -1.027 -1.509 1.00 0.00 C ATOM 905 O VAL A 61 -9.772 -1.430 -2.497 1.00 0.00 O ATOM 906 CB VAL A 61 -8.540 -1.100 0.170 1.00 0.00 C ATOM 907 CG1 VAL A 61 -7.603 -1.826 -0.783 1.00 0.00 C ATOM 908 CG2 VAL A 61 -8.362 0.407 0.062 1.00 0.00 C ATOM 0 H VAL A 61 -9.346 -3.474 0.084 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.649 -1.003 0.622 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.289 -1.400 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.574 -1.537 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.712 -2.902 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.851 -1.560 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.322 0.666 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.631 0.734 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.005 0.902 0.789 1.00 0.00 H new ATOM 918 N ASP A 62 -11.402 -0.175 -1.586 1.00 0.00 N ATOM 919 CA ASP A 62 -11.865 0.348 -2.867 1.00 0.00 C ATOM 920 C ASP A 62 -10.724 1.021 -3.623 1.00 0.00 C ATOM 921 O ASP A 62 -9.743 1.462 -3.025 1.00 0.00 O ATOM 922 CB ASP A 62 -13.008 1.341 -2.653 1.00 0.00 C ATOM 923 CG ASP A 62 -14.292 0.661 -2.218 1.00 0.00 C ATOM 924 OD1 ASP A 62 -14.431 -0.557 -2.461 1.00 0.00 O ATOM 925 OD2 ASP A 62 -15.157 1.346 -1.634 1.00 0.00 O ATOM 0 H ASP A 62 -11.921 0.168 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.228 -0.489 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.714 2.072 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.186 1.890 -3.578 1.00 0.00 H new ATOM 930 N VAL A 63 -10.860 1.096 -4.944 1.00 0.00 N ATOM 931 CA VAL A 63 -9.841 1.716 -5.783 1.00 0.00 C ATOM 932 C VAL A 63 -10.472 2.453 -6.959 1.00 0.00 C ATOM 933 O VAL A 63 -11.173 1.855 -7.776 1.00 0.00 O ATOM 934 CB VAL A 63 -8.845 0.672 -6.320 1.00 0.00 C ATOM 935 CG1 VAL A 63 -7.806 1.334 -7.212 1.00 0.00 C ATOM 936 CG2 VAL A 63 -8.178 -0.069 -5.170 1.00 0.00 C ATOM 0 H VAL A 63 -11.665 0.735 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.305 2.429 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.394 -0.054 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.111 0.580 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.303 1.814 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.258 2.082 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.477 -0.803 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.641 0.642 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.937 -0.577 -4.576 1.00 0.00 H new ATOM 946 N ASP A 64 -10.218 3.754 -7.040 1.00 0.00 N ATOM 947 CA ASP A 64 -10.759 4.574 -8.118 1.00 0.00 C ATOM 948 C ASP A 64 -10.512 3.920 -9.474 1.00 0.00 C ATOM 949 O ASP A 64 -9.872 2.872 -9.563 1.00 0.00 O ATOM 950 CB ASP A 64 -10.135 5.970 -8.089 1.00 0.00 C ATOM 951 CG ASP A 64 -8.654 5.948 -8.411 1.00 0.00 C ATOM 952 OD1 ASP A 64 -7.936 5.097 -7.844 1.00 0.00 O ATOM 953 OD2 ASP A 64 -8.211 6.782 -9.229 1.00 0.00 O ATOM 0 H ASP A 64 -9.640 4.264 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.835 4.663 -7.968 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.650 6.610 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.283 6.411 -7.103 1.00 0.00 H new ATOM 958 N LYS A 65 -11.025 4.545 -10.528 1.00 0.00 N ATOM 959 CA LYS A 65 -10.860 4.026 -11.881 1.00 0.00 C ATOM 960 C LYS A 65 -9.467 4.339 -12.418 1.00 0.00 C ATOM 961 O LYS A 65 -8.868 3.528 -13.125 1.00 0.00 O ATOM 962 CB LYS A 65 -11.922 4.619 -12.810 1.00 0.00 C ATOM 963 CG LYS A 65 -12.216 3.758 -14.026 1.00 0.00 C ATOM 964 CD LYS A 65 -13.046 2.539 -13.658 1.00 0.00 C ATOM 965 CE LYS A 65 -13.534 1.803 -14.897 1.00 0.00 C ATOM 966 NZ LYS A 65 -12.403 1.276 -15.710 1.00 0.00 N ATOM 0 H LYS A 65 -11.559 5.412 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.981 2.943 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.844 4.765 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.592 5.603 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.747 4.349 -14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.279 3.437 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.451 1.864 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.901 2.848 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.182 0.979 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.136 2.477 -15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.777 0.724 -16.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.837 2.069 -16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.804 0.666 -15.117 1.00 0.00 H new ATOM 980 N ARG A 66 -8.957 5.518 -12.077 1.00 0.00 N ATOM 981 CA ARG A 66 -7.635 5.936 -12.525 1.00 0.00 C ATOM 982 C ARG A 66 -6.544 5.307 -11.664 1.00 0.00 C ATOM 983 O ARG A 66 -6.642 5.285 -10.438 1.00 0.00 O ATOM 984 CB ARG A 66 -7.517 7.461 -12.482 1.00 0.00 C ATOM 985 CG ARG A 66 -8.312 8.164 -13.570 1.00 0.00 C ATOM 986 CD ARG A 66 -8.155 9.675 -13.486 1.00 0.00 C ATOM 987 NE ARG A 66 -8.984 10.253 -12.432 1.00 0.00 N ATOM 988 CZ ARG A 66 -9.255 11.551 -12.339 1.00 0.00 C ATOM 989 NH1 ARG A 66 -8.765 12.399 -13.232 1.00 0.00 N ATOM 990 NH2 ARG A 66 -10.017 12.001 -11.351 1.00 0.00 N ATOM 0 H ARG A 66 -9.440 6.200 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.504 5.596 -13.552 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.856 7.816 -11.509 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.467 7.739 -12.574 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.979 7.816 -14.548 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.366 7.901 -13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.109 9.921 -13.301 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.423 10.121 -14.444 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.376 9.627 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.179 12.056 -13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.974 13.395 -13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.395 11.351 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.225 12.997 -11.280 1.00 0.00 H new ATOM 1004 N GLY A 67 -5.504 4.795 -12.315 1.00 0.00 N ATOM 1005 CA GLY A 67 -4.410 4.171 -11.593 1.00 0.00 C ATOM 1006 C GLY A 67 -3.203 5.079 -11.472 1.00 0.00 C ATOM 1007 O GLY A 67 -3.337 6.266 -11.172 1.00 0.00 O ATOM 0 H GLY A 67 -5.399 4.801 -13.330 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.750 3.889 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.120 3.252 -12.102 1.00 0.00 H new ATOM 1011 N LEU A 68 -2.020 4.522 -11.705 1.00 0.00 N ATOM 1012 CA LEU A 68 -0.782 5.289 -11.620 1.00 0.00 C ATOM 1013 C LEU A 68 -0.212 5.560 -13.008 1.00 0.00 C ATOM 1014 O LEU A 68 -0.345 4.740 -13.916 1.00 0.00 O ATOM 1015 CB LEU A 68 0.247 4.541 -10.771 1.00 0.00 C ATOM 1016 CG LEU A 68 0.655 3.157 -11.276 1.00 0.00 C ATOM 1017 CD1 LEU A 68 1.733 3.275 -12.343 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.137 2.289 -10.123 1.00 0.00 C ATOM 0 H LEU A 68 -1.892 3.541 -11.954 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.008 6.245 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.143 5.157 -10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.152 4.435 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.219 2.682 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.011 2.280 -12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.353 3.859 -13.181 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.608 3.770 -11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.423 1.308 -10.501 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.998 2.760 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.336 2.177 -9.392 1.00 0.00 H new ATOM 1030 N GLY A 69 0.425 6.717 -13.166 1.00 0.00 N ATOM 1031 CA GLY A 69 1.007 7.075 -14.446 1.00 0.00 C ATOM 1032 C GLY A 69 2.272 7.897 -14.298 1.00 0.00 C ATOM 1033 O GLY A 69 2.696 8.202 -13.183 1.00 0.00 O ATOM 0 H GLY A 69 0.548 7.412 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.231 6.167 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.278 7.638 -15.029 1.00 0.00 H new ATOM 1037 N VAL A 70 2.878 8.257 -15.425 1.00 0.00 N ATOM 1038 CA VAL A 70 4.102 9.048 -15.416 1.00 0.00 C ATOM 1039 C VAL A 70 3.804 10.524 -15.655 1.00 0.00 C ATOM 1040 O VAL A 70 3.532 10.941 -16.781 1.00 0.00 O ATOM 1041 CB VAL A 70 5.096 8.557 -16.486 1.00 0.00 C ATOM 1042 CG1 VAL A 70 6.344 9.426 -16.493 1.00 0.00 C ATOM 1043 CG2 VAL A 70 5.453 7.098 -16.250 1.00 0.00 C ATOM 0 H VAL A 70 2.541 8.013 -16.356 1.00 0.00 H new ATOM 0 HA VAL A 70 4.551 8.925 -14.430 1.00 0.00 H new ATOM 0 HB VAL A 70 4.621 8.637 -17.464 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.035 9.065 -17.255 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.068 10.457 -16.713 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.825 9.380 -15.516 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.156 6.767 -17.015 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.909 6.990 -15.266 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.550 6.490 -16.300 1.00 0.00 H new ATOM 1053 N THR A 71 3.856 11.314 -14.586 1.00 0.00 N ATOM 1054 CA THR A 71 3.591 12.744 -14.678 1.00 0.00 C ATOM 1055 C THR A 71 4.413 13.522 -13.657 1.00 0.00 C ATOM 1056 O THR A 71 4.807 12.983 -12.622 1.00 0.00 O ATOM 1057 CB THR A 71 2.098 13.053 -14.462 1.00 0.00 C ATOM 1058 OG1 THR A 71 1.298 12.234 -15.322 1.00 0.00 O ATOM 1059 CG2 THR A 71 1.804 14.521 -14.735 1.00 0.00 C ATOM 0 H THR A 71 4.079 10.986 -13.646 1.00 0.00 H new ATOM 0 HA THR A 71 3.877 13.055 -15.683 1.00 0.00 H new ATOM 0 HB THR A 71 1.852 12.836 -13.422 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.350 12.436 -15.177 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.743 14.715 -14.576 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.392 15.142 -14.059 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.066 14.759 -15.766 1.00 0.00 H new ATOM 1067 N ASP A 72 4.668 14.791 -13.954 1.00 0.00 N ATOM 1068 CA ASP A 72 5.442 15.645 -13.060 1.00 0.00 C ATOM 1069 C ASP A 72 4.530 16.365 -12.071 1.00 0.00 C ATOM 1070 O ASP A 72 3.578 17.038 -12.466 1.00 0.00 O ATOM 1071 CB ASP A 72 6.247 16.666 -13.866 1.00 0.00 C ATOM 1072 CG ASP A 72 7.473 16.054 -14.515 1.00 0.00 C ATOM 1073 OD1 ASP A 72 7.320 15.054 -15.248 1.00 0.00 O ATOM 1074 OD2 ASP A 72 8.585 16.575 -14.291 1.00 0.00 O ATOM 0 H ASP A 72 4.350 15.252 -14.807 1.00 0.00 H new ATOM 0 HA ASP A 72 6.130 15.013 -12.499 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.610 17.100 -14.637 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.555 17.481 -13.211 1.00 0.00 H new ATOM 1079 N HIS A 73 4.828 16.217 -10.784 1.00 0.00 N ATOM 1080 CA HIS A 73 4.035 16.852 -9.738 1.00 0.00 C ATOM 1081 C HIS A 73 4.044 18.370 -9.896 1.00 0.00 C ATOM 1082 O HIS A 73 2.994 18.993 -10.049 1.00 0.00 O ATOM 1083 CB HIS A 73 4.570 16.468 -8.358 1.00 0.00 C ATOM 1084 CG HIS A 73 3.923 17.218 -7.235 1.00 0.00 C ATOM 1085 ND1 HIS A 73 3.171 16.604 -6.255 1.00 0.00 N ATOM 1086 CD2 HIS A 73 3.920 18.538 -6.938 1.00 0.00 C ATOM 1087 CE1 HIS A 73 2.732 17.515 -5.405 1.00 0.00 C ATOM 1088 NE2 HIS A 73 3.173 18.697 -5.796 1.00 0.00 N ATOM 0 H HIS A 73 5.613 15.663 -10.441 1.00 0.00 H new ATOM 0 HA HIS A 73 3.008 16.500 -9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.421 15.399 -8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.645 16.647 -8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.413 19.321 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.117 17.325 -4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.989 19.584 -5.326 1.00 0.00 H new ATOM 1097 N ASN A 74 5.235 18.957 -9.856 1.00 0.00 N ATOM 1098 CA ASN A 74 5.380 20.402 -9.993 1.00 0.00 C ATOM 1099 C ASN A 74 5.270 20.823 -11.455 1.00 0.00 C ATOM 1100 O ASN A 74 6.278 21.033 -12.129 1.00 0.00 O ATOM 1101 CB ASN A 74 6.723 20.857 -9.419 1.00 0.00 C ATOM 1102 CG ASN A 74 6.910 22.359 -9.506 1.00 0.00 C ATOM 1103 OD1 ASN A 74 6.262 23.031 -10.309 1.00 0.00 O ATOM 1104 ND2 ASN A 74 7.801 22.894 -8.679 1.00 0.00 N ATOM 0 H ASN A 74 6.114 18.455 -9.730 1.00 0.00 H new ATOM 0 HA ASN A 74 4.574 20.878 -9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.794 20.545 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.531 20.361 -9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.971 23.900 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.316 22.299 -8.030 1.00 0.00 H new ATOM 1111 N GLY A 75 4.038 20.946 -11.939 1.00 0.00 N ATOM 1112 CA GLY A 75 3.819 21.342 -13.317 1.00 0.00 C ATOM 1113 C GLY A 75 4.009 22.831 -13.530 1.00 0.00 C ATOM 1114 O GLY A 75 3.116 23.512 -14.032 1.00 0.00 O ATOM 0 H GLY A 75 3.188 20.778 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.506 20.795 -13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.809 21.061 -13.616 1.00 0.00 H new ATOM 1118 N MET A 76 5.176 23.337 -13.145 1.00 0.00 N ATOM 1119 CA MET A 76 5.480 24.756 -13.296 1.00 0.00 C ATOM 1120 C MET A 76 6.979 24.974 -13.473 1.00 0.00 C ATOM 1121 O MET A 76 7.748 24.873 -12.517 1.00 0.00 O ATOM 1122 CB MET A 76 4.979 25.539 -12.081 1.00 0.00 C ATOM 1123 CG MET A 76 3.465 25.535 -11.938 1.00 0.00 C ATOM 1124 SD MET A 76 2.852 26.952 -11.006 1.00 0.00 S ATOM 1125 CE MET A 76 1.136 26.491 -10.779 1.00 0.00 C ATOM 0 H MET A 76 5.926 22.787 -12.727 1.00 0.00 H new ATOM 0 HA MET A 76 4.970 25.119 -14.188 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.422 25.117 -11.179 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.326 26.570 -12.155 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.010 25.532 -12.929 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.153 24.616 -11.442 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.621 27.270 -10.217 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.660 26.370 -11.752 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.081 25.551 -10.229 1.00 0.00 H new ATOM 1135 N ALA A 77 7.388 25.274 -14.702 1.00 0.00 N ATOM 1136 CA ALA A 77 8.795 25.509 -15.003 1.00 0.00 C ATOM 1137 C ALA A 77 9.287 26.799 -14.356 1.00 0.00 C ATOM 1138 O ALA A 77 9.347 27.845 -15.001 1.00 0.00 O ATOM 1139 CB ALA A 77 9.012 25.555 -16.508 1.00 0.00 C ATOM 0 H ALA A 77 6.765 25.360 -15.505 1.00 0.00 H new ATOM 0 HA ALA A 77 9.373 24.683 -14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.067 25.731 -16.718 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.708 24.606 -16.949 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.417 26.361 -16.937 1.00 0.00 H new ATOM 1145 N ALA A 78 9.638 26.717 -13.076 1.00 0.00 N ATOM 1146 CA ALA A 78 10.126 27.878 -12.343 1.00 0.00 C ATOM 1147 C ALA A 78 11.509 27.614 -11.755 1.00 0.00 C ATOM 1148 O ALA A 78 11.669 26.775 -10.868 1.00 0.00 O ATOM 1149 CB ALA A 78 9.147 28.257 -11.242 1.00 0.00 C ATOM 0 H ALA A 78 9.593 25.859 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 78 10.209 28.710 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.524 29.126 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.179 28.496 -11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.035 27.421 -10.551 1.00 0.00 H new ATOM 1155 N LYS A 79 12.506 28.335 -12.256 1.00 0.00 N ATOM 1156 CA LYS A 79 13.876 28.181 -11.781 1.00 0.00 C ATOM 1157 C LYS A 79 14.185 29.183 -10.674 1.00 0.00 C ATOM 1158 O LYS A 79 13.407 30.103 -10.422 1.00 0.00 O ATOM 1159 CB LYS A 79 14.862 28.363 -12.938 1.00 0.00 C ATOM 1160 CG LYS A 79 14.786 29.731 -13.592 1.00 0.00 C ATOM 1161 CD LYS A 79 15.721 30.723 -12.920 1.00 0.00 C ATOM 1162 CE LYS A 79 15.959 31.945 -13.795 1.00 0.00 C ATOM 1163 NZ LYS A 79 16.238 33.162 -12.983 1.00 0.00 N ATOM 0 H LYS A 79 12.391 29.032 -12.991 1.00 0.00 H new ATOM 0 HA LYS A 79 13.982 27.175 -11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.875 28.201 -12.570 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.671 27.598 -13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.043 29.645 -14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.763 30.103 -13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.297 31.035 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.673 30.238 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.798 31.755 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.084 32.119 -14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.395 33.973 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.427 33.359 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.087 33.006 -12.404 1.00 0.00 H new ATOM 1177 N SER A 80 15.325 28.999 -10.016 1.00 0.00 N ATOM 1178 CA SER A 80 15.735 29.886 -8.934 1.00 0.00 C ATOM 1179 C SER A 80 17.243 29.814 -8.714 1.00 0.00 C ATOM 1180 O SER A 80 17.789 28.751 -8.421 1.00 0.00 O ATOM 1181 CB SER A 80 15.002 29.522 -7.642 1.00 0.00 C ATOM 1182 OG SER A 80 15.468 28.289 -7.121 1.00 0.00 O ATOM 0 H SER A 80 15.981 28.243 -10.213 1.00 0.00 H new ATOM 0 HA SER A 80 15.475 30.906 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.147 30.310 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.931 29.458 -7.834 1.00 0.00 H new ATOM 0 HG SER A 80 16.371 28.112 -7.458 1.00 0.00 H new ATOM 1188 N GLY A 81 17.911 30.955 -8.857 1.00 0.00 N ATOM 1189 CA GLY A 81 19.350 31.000 -8.671 1.00 0.00 C ATOM 1190 C GLY A 81 20.074 29.954 -9.495 1.00 0.00 C ATOM 1191 O GLY A 81 20.651 29.005 -8.964 1.00 0.00 O ATOM 0 H GLY A 81 17.482 31.848 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.717 31.990 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.582 30.852 -7.616 1.00 0.00 H new ATOM 1195 N PRO A 82 20.049 30.122 -10.826 1.00 0.00 N ATOM 1196 CA PRO A 82 20.703 29.195 -11.753 1.00 0.00 C ATOM 1197 C PRO A 82 22.224 29.271 -11.674 1.00 0.00 C ATOM 1198 O PRO A 82 22.929 28.567 -12.397 1.00 0.00 O ATOM 1199 CB PRO A 82 20.215 29.663 -13.126 1.00 0.00 C ATOM 1200 CG PRO A 82 19.881 31.103 -12.939 1.00 0.00 C ATOM 1201 CD PRO A 82 19.381 31.231 -11.527 1.00 0.00 C ATOM 0 HA PRO A 82 20.459 28.156 -11.530 1.00 0.00 H new ATOM 0 HB2 PRO A 82 20.985 29.531 -13.886 1.00 0.00 H new ATOM 0 HB3 PRO A 82 19.344 29.094 -13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 82 20.757 31.731 -13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 82 19.122 31.424 -13.653 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.644 32.196 -11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.296 31.143 -11.476 1.00 0.00 H new ATOM 1209 N SER A 83 22.723 30.130 -10.791 1.00 0.00 N ATOM 1210 CA SER A 83 24.161 30.301 -10.619 1.00 0.00 C ATOM 1211 C SER A 83 24.787 30.919 -11.866 1.00 0.00 C ATOM 1212 O SER A 83 25.898 30.562 -12.259 1.00 0.00 O ATOM 1213 CB SER A 83 24.824 28.955 -10.316 1.00 0.00 C ATOM 1214 OG SER A 83 26.106 29.136 -9.741 1.00 0.00 O ATOM 0 H SER A 83 22.153 30.718 -10.184 1.00 0.00 H new ATOM 0 HA SER A 83 24.324 30.976 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.195 28.381 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 83 24.913 28.375 -11.234 1.00 0.00 H new ATOM 0 HG SER A 83 26.648 29.707 -10.324 1.00 0.00 H new ATOM 1220 N SER A 84 24.066 31.849 -12.484 1.00 0.00 N ATOM 1221 CA SER A 84 24.547 32.515 -13.688 1.00 0.00 C ATOM 1222 C SER A 84 24.884 33.976 -13.403 1.00 0.00 C ATOM 1223 O SER A 84 24.005 34.778 -13.092 1.00 0.00 O ATOM 1224 CB SER A 84 23.498 32.430 -14.798 1.00 0.00 C ATOM 1225 OG SER A 84 23.440 31.124 -15.345 1.00 0.00 O ATOM 0 H SER A 84 23.146 32.158 -12.170 1.00 0.00 H new ATOM 0 HA SER A 84 25.454 32.007 -14.016 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.521 32.705 -14.401 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.736 33.147 -15.584 1.00 0.00 H new ATOM 0 HG SER A 84 22.761 31.095 -16.051 1.00 0.00 H new ATOM 1231 N GLY A 85 26.166 34.313 -13.511 1.00 0.00 N ATOM 1232 CA GLY A 85 26.598 35.676 -13.262 1.00 0.00 C ATOM 1233 C GLY A 85 26.035 36.235 -11.970 1.00 0.00 C ATOM 1234 O GLY A 85 26.782 36.714 -11.116 1.00 0.00 O ATOM 0 H GLY A 85 26.913 33.667 -13.766 1.00 0.00 H new ATOM 0 HA2 GLY A 85 27.687 35.708 -13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 85 26.289 36.310 -14.094 1.00 0.00 H new TER 1238 GLY A 85