USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 682 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 THR OG1 : rot 90:sc= 0.0507 USER MOD Set 1.2: A 24 GLN : amide:sc= -0.619 K(o=-0.57,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ 128:sc= 0.0255 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -75:sc= 0.0822 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= -1.03 (180deg=-1.13) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 30:sc= 0.519 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 40:sc= 0.622 USER MOD Single : A 36 SER OG : rot 180:sc= -0.118 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.255 F(o=-0.93,f=-0.26) USER MOD Single : A 50 THR OG1 : rot -90:sc= 0.406 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -50:sc= 1.12 USER MOD Single : A 62 SER OG : rot 83:sc= 0.0101 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 173:sc= -0.0296 (180deg=-0.118) USER MOD Single : A 73 GLN : amide:sc= -3.19! C(o=-3.2!,f=-6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -124:sc= 0 (180deg=-0.0291) USER MOD Single : A 81 SER OG : rot -59:sc= 0.557 USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= -0.67 (180deg=-2.59!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 36:sc= 0.372 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.414 15.005 10.570 1.00 0.00 N ATOM 2 CA GLY A 1 23.123 14.616 11.108 1.00 0.00 C ATOM 3 C GLY A 1 22.230 13.976 10.064 1.00 0.00 C ATOM 4 O GLY A 1 22.327 14.289 8.878 1.00 0.00 O ATOM 0 H1 GLY A 1 24.601 16.002 10.802 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.157 14.408 10.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.410 14.885 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.271 13.918 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.625 15.494 11.519 1.00 0.00 H new ATOM 8 N SER A 2 21.358 13.076 10.506 1.00 0.00 N ATOM 9 CA SER A 2 20.447 12.385 9.601 1.00 0.00 C ATOM 10 C SER A 2 19.132 13.148 9.466 1.00 0.00 C ATOM 11 O SER A 2 18.680 13.797 10.409 1.00 0.00 O ATOM 12 CB SER A 2 20.176 10.964 10.100 1.00 0.00 C ATOM 13 OG SER A 2 21.348 10.171 10.040 1.00 0.00 O ATOM 0 H SER A 2 21.263 12.808 11.486 1.00 0.00 H new ATOM 0 HA SER A 2 20.920 12.333 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.809 10.999 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.392 10.506 9.496 1.00 0.00 H new ATOM 0 HG SER A 2 21.149 9.268 10.366 1.00 0.00 H new ATOM 19 N SER A 3 18.524 13.065 8.287 1.00 0.00 N ATOM 20 CA SER A 3 17.265 13.750 8.026 1.00 0.00 C ATOM 21 C SER A 3 16.176 13.262 8.976 1.00 0.00 C ATOM 22 O SER A 3 15.575 14.051 9.708 1.00 0.00 O ATOM 23 CB SER A 3 16.830 13.527 6.577 1.00 0.00 C ATOM 24 OG SER A 3 16.054 14.616 6.104 1.00 0.00 O ATOM 0 H SER A 3 18.884 12.529 7.497 1.00 0.00 H new ATOM 0 HA SER A 3 17.418 14.816 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.709 13.401 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.252 12.606 6.505 1.00 0.00 H new ATOM 0 HG SER A 3 15.790 14.450 5.175 1.00 0.00 H new ATOM 30 N GLY A 4 15.923 11.957 8.960 1.00 0.00 N ATOM 31 CA GLY A 4 14.907 11.387 9.824 1.00 0.00 C ATOM 32 C GLY A 4 15.051 11.836 11.263 1.00 0.00 C ATOM 33 O GLY A 4 15.997 11.450 11.951 1.00 0.00 O ATOM 0 H GLY A 4 16.404 11.284 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.921 11.670 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.964 10.299 9.779 1.00 0.00 H new ATOM 37 N SER A 5 14.111 12.656 11.723 1.00 0.00 N ATOM 38 CA SER A 5 14.138 13.163 13.089 1.00 0.00 C ATOM 39 C SER A 5 12.725 13.425 13.601 1.00 0.00 C ATOM 40 O SER A 5 11.932 14.099 12.946 1.00 0.00 O ATOM 41 CB SER A 5 14.966 14.449 13.162 1.00 0.00 C ATOM 42 OG SER A 5 14.433 15.447 12.309 1.00 0.00 O ATOM 0 H SER A 5 13.320 12.983 11.168 1.00 0.00 H new ATOM 0 HA SER A 5 14.599 12.405 13.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.985 14.815 14.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.997 14.238 12.880 1.00 0.00 H new ATOM 0 HG SER A 5 14.648 15.230 11.378 1.00 0.00 H new ATOM 48 N SER A 6 12.420 12.888 14.777 1.00 0.00 N ATOM 49 CA SER A 6 11.101 13.058 15.378 1.00 0.00 C ATOM 50 C SER A 6 11.030 14.362 16.167 1.00 0.00 C ATOM 51 O SER A 6 12.026 15.069 16.311 1.00 0.00 O ATOM 52 CB SER A 6 10.777 11.876 16.292 1.00 0.00 C ATOM 53 OG SER A 6 10.738 10.661 15.562 1.00 0.00 O ATOM 0 H SER A 6 13.068 12.331 15.334 1.00 0.00 H new ATOM 0 HA SER A 6 10.364 13.098 14.576 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.526 11.806 17.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.816 12.042 16.779 1.00 0.00 H new ATOM 0 HG SER A 6 10.531 9.921 16.170 1.00 0.00 H new ATOM 59 N GLY A 7 9.842 14.672 16.677 1.00 0.00 N ATOM 60 CA GLY A 7 9.659 15.891 17.446 1.00 0.00 C ATOM 61 C GLY A 7 8.901 16.954 16.677 1.00 0.00 C ATOM 62 O GLY A 7 9.496 17.736 15.936 1.00 0.00 O ATOM 0 H GLY A 7 9.003 14.102 16.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.121 15.659 18.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.634 16.283 17.737 1.00 0.00 H new ATOM 66 N ALA A 8 7.585 16.982 16.852 1.00 0.00 N ATOM 67 CA ALA A 8 6.744 17.958 16.168 1.00 0.00 C ATOM 68 C ALA A 8 5.573 18.385 17.046 1.00 0.00 C ATOM 69 O ALA A 8 5.159 17.653 17.947 1.00 0.00 O ATOM 70 CB ALA A 8 6.237 17.387 14.851 1.00 0.00 C ATOM 0 H ALA A 8 7.077 16.341 17.461 1.00 0.00 H new ATOM 0 HA ALA A 8 7.350 18.840 15.961 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.611 18.126 14.351 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.084 17.138 14.212 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.652 16.488 15.045 1.00 0.00 H new ATOM 76 N TYR A 9 5.043 19.573 16.781 1.00 0.00 N ATOM 77 CA TYR A 9 3.922 20.099 17.550 1.00 0.00 C ATOM 78 C TYR A 9 2.653 19.296 17.282 1.00 0.00 C ATOM 79 O TYR A 9 2.459 18.736 16.203 1.00 0.00 O ATOM 80 CB TYR A 9 3.688 21.572 17.210 1.00 0.00 C ATOM 81 CG TYR A 9 4.759 22.495 17.747 1.00 0.00 C ATOM 82 CD1 TYR A 9 4.837 22.786 19.102 1.00 0.00 C ATOM 83 CD2 TYR A 9 5.695 23.075 16.898 1.00 0.00 C ATOM 84 CE1 TYR A 9 5.813 23.629 19.598 1.00 0.00 C ATOM 85 CE2 TYR A 9 6.674 23.918 17.383 1.00 0.00 C ATOM 86 CZ TYR A 9 6.729 24.193 18.734 1.00 0.00 C ATOM 87 OH TYR A 9 7.705 25.032 19.223 1.00 0.00 O ATOM 0 H TYR A 9 5.372 20.191 16.039 1.00 0.00 H new ATOM 0 HA TYR A 9 4.169 20.013 18.608 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.635 21.682 16.127 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.722 21.879 17.609 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.122 22.346 19.781 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.655 22.862 15.840 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.859 23.845 20.655 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.393 24.360 16.709 1.00 0.00 H new ATOM 0 HH TYR A 9 8.269 25.343 18.484 1.00 0.00 H new ATOM 97 N PRO A 10 1.767 19.239 18.287 1.00 0.00 N ATOM 98 CA PRO A 10 0.499 18.510 18.184 1.00 0.00 C ATOM 99 C PRO A 10 -0.481 19.179 17.227 1.00 0.00 C ATOM 100 O PRO A 10 -0.975 20.275 17.496 1.00 0.00 O ATOM 101 CB PRO A 10 -0.045 18.540 19.614 1.00 0.00 C ATOM 102 CG PRO A 10 0.573 19.748 20.229 1.00 0.00 C ATOM 103 CD PRO A 10 1.933 19.884 19.600 1.00 0.00 C ATOM 0 HA PRO A 10 0.640 17.504 17.787 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.133 18.604 19.622 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.225 17.636 20.159 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.033 20.634 20.043 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.653 19.638 21.311 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.227 20.929 19.500 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.702 19.392 20.195 1.00 0.00 H new ATOM 111 N ASP A 11 -0.757 18.517 16.110 1.00 0.00 N ATOM 112 CA ASP A 11 -1.680 19.047 15.113 1.00 0.00 C ATOM 113 C ASP A 11 -2.665 17.976 14.660 1.00 0.00 C ATOM 114 O ASP A 11 -2.294 16.819 14.463 1.00 0.00 O ATOM 115 CB ASP A 11 -0.907 19.591 13.911 1.00 0.00 C ATOM 116 CG ASP A 11 -0.143 18.507 13.176 1.00 0.00 C ATOM 117 OD1 ASP A 11 0.811 17.953 13.762 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.498 18.214 12.016 1.00 0.00 O ATOM 0 H ASP A 11 -0.354 17.611 15.871 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.243 19.860 15.571 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.602 20.072 13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.210 20.358 14.248 1.00 0.00 H new ATOM 123 N PHE A 12 -3.924 18.369 14.495 1.00 0.00 N ATOM 124 CA PHE A 12 -4.964 17.442 14.065 1.00 0.00 C ATOM 125 C PHE A 12 -5.323 17.668 12.599 1.00 0.00 C ATOM 126 O PHE A 12 -5.187 18.774 12.079 1.00 0.00 O ATOM 127 CB PHE A 12 -6.211 17.600 14.938 1.00 0.00 C ATOM 128 CG PHE A 12 -6.774 18.993 14.930 1.00 0.00 C ATOM 129 CD1 PHE A 12 -7.564 19.430 13.880 1.00 0.00 C ATOM 130 CD2 PHE A 12 -6.512 19.866 15.975 1.00 0.00 C ATOM 131 CE1 PHE A 12 -8.084 20.711 13.871 1.00 0.00 C ATOM 132 CE2 PHE A 12 -7.029 21.148 15.970 1.00 0.00 C ATOM 133 CZ PHE A 12 -7.816 21.570 14.917 1.00 0.00 C ATOM 0 H PHE A 12 -4.248 19.323 14.653 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.579 16.428 14.174 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.977 16.905 14.594 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.965 17.321 15.963 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.776 18.762 13.058 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.898 19.541 16.802 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.699 21.039 13.046 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.817 21.819 16.789 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.221 22.571 14.912 1.00 0.00 H new ATOM 143 N ALA A 13 -5.783 16.609 11.939 1.00 0.00 N ATOM 144 CA ALA A 13 -6.164 16.692 10.534 1.00 0.00 C ATOM 145 C ALA A 13 -7.677 16.619 10.370 1.00 0.00 C ATOM 146 O ALA A 13 -8.397 16.118 11.235 1.00 0.00 O ATOM 147 CB ALA A 13 -5.491 15.583 9.739 1.00 0.00 C ATOM 0 H ALA A 13 -5.901 15.685 12.354 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.830 17.655 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.784 15.657 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.409 15.682 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.797 14.615 10.134 1.00 0.00 H new ATOM 153 N PRO A 14 -8.176 17.131 9.234 1.00 0.00 N ATOM 154 CA PRO A 14 -9.610 17.136 8.931 1.00 0.00 C ATOM 155 C PRO A 14 -10.147 15.735 8.652 1.00 0.00 C ATOM 156 O PRO A 14 -9.410 14.753 8.724 1.00 0.00 O ATOM 157 CB PRO A 14 -9.703 18.004 7.674 1.00 0.00 C ATOM 158 CG PRO A 14 -8.363 17.889 7.034 1.00 0.00 C ATOM 159 CD PRO A 14 -7.378 17.743 8.160 1.00 0.00 C ATOM 0 HA PRO A 14 -10.203 17.507 9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.491 17.653 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.935 19.039 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.322 17.029 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.141 18.771 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.535 17.113 7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.968 18.707 8.463 1.00 0.00 H new ATOM 167 N GLN A 15 -11.435 15.654 8.333 1.00 0.00 N ATOM 168 CA GLN A 15 -12.071 14.375 8.044 1.00 0.00 C ATOM 169 C GLN A 15 -12.346 14.229 6.550 1.00 0.00 C ATOM 170 O GLN A 15 -12.949 15.105 5.931 1.00 0.00 O ATOM 171 CB GLN A 15 -13.376 14.240 8.831 1.00 0.00 C ATOM 172 CG GLN A 15 -14.428 15.266 8.444 1.00 0.00 C ATOM 173 CD GLN A 15 -15.647 15.219 9.344 1.00 0.00 C ATOM 174 OE1 GLN A 15 -16.512 14.356 9.193 1.00 0.00 O ATOM 175 NE2 GLN A 15 -15.724 16.151 10.287 1.00 0.00 N ATOM 0 H GLN A 15 -12.058 16.459 8.268 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.388 13.582 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.782 13.240 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.161 14.336 9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.990 16.263 8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.736 15.094 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.984 16.848 10.377 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.523 16.170 10.921 1.00 0.00 H new ATOM 184 N LYS A 16 -11.901 13.116 5.978 1.00 0.00 N ATOM 185 CA LYS A 16 -12.099 12.854 4.558 1.00 0.00 C ATOM 186 C LYS A 16 -12.162 11.355 4.285 1.00 0.00 C ATOM 187 O LYS A 16 -11.481 10.565 4.939 1.00 0.00 O ATOM 188 CB LYS A 16 -10.969 13.484 3.739 1.00 0.00 C ATOM 189 CG LYS A 16 -11.151 14.973 3.500 1.00 0.00 C ATOM 190 CD LYS A 16 -10.075 15.524 2.578 1.00 0.00 C ATOM 191 CE LYS A 16 -10.342 15.155 1.127 1.00 0.00 C ATOM 192 NZ LYS A 16 -9.454 15.902 0.193 1.00 0.00 N ATOM 0 H LYS A 16 -11.400 12.380 6.477 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.048 13.301 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.023 13.320 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.901 12.975 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.133 15.155 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.121 15.502 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.031 16.609 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.102 15.136 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.193 14.084 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.384 15.365 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.667 15.623 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.614 16.924 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.461 15.682 0.408 1.00 0.00 H new ATOM 206 N PHE A 17 -12.983 10.968 3.315 1.00 0.00 N ATOM 207 CA PHE A 17 -13.134 9.563 2.954 1.00 0.00 C ATOM 208 C PHE A 17 -11.787 8.946 2.592 1.00 0.00 C ATOM 209 O PHE A 17 -10.835 9.654 2.261 1.00 0.00 O ATOM 210 CB PHE A 17 -14.107 9.417 1.782 1.00 0.00 C ATOM 211 CG PHE A 17 -15.550 9.413 2.199 1.00 0.00 C ATOM 212 CD1 PHE A 17 -16.045 8.413 3.021 1.00 0.00 C ATOM 213 CD2 PHE A 17 -16.413 10.408 1.766 1.00 0.00 C ATOM 214 CE1 PHE A 17 -17.372 8.408 3.405 1.00 0.00 C ATOM 215 CE2 PHE A 17 -17.741 10.406 2.146 1.00 0.00 C ATOM 216 CZ PHE A 17 -18.221 9.405 2.968 1.00 0.00 C ATOM 0 H PHE A 17 -13.555 11.608 2.764 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.535 9.033 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.942 10.234 1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.888 8.491 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -15.386 7.629 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.043 11.194 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.745 7.624 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -18.403 11.186 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 17 -19.258 9.402 3.268 1.00 0.00 H new ATOM 226 N LYS A 18 -11.713 7.621 2.657 1.00 0.00 N ATOM 227 CA LYS A 18 -10.484 6.906 2.334 1.00 0.00 C ATOM 228 C LYS A 18 -10.749 5.795 1.324 1.00 0.00 C ATOM 229 O LYS A 18 -11.898 5.499 1.001 1.00 0.00 O ATOM 230 CB LYS A 18 -9.864 6.317 3.604 1.00 0.00 C ATOM 231 CG LYS A 18 -9.302 7.365 4.549 1.00 0.00 C ATOM 232 CD LYS A 18 -8.163 6.808 5.387 1.00 0.00 C ATOM 233 CE LYS A 18 -7.328 7.919 6.004 1.00 0.00 C ATOM 234 NZ LYS A 18 -8.072 8.642 7.073 1.00 0.00 N ATOM 0 H LYS A 18 -12.490 7.020 2.931 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.786 7.617 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.619 5.733 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.067 5.628 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.947 8.221 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.094 7.727 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.567 6.174 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.528 6.177 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.413 7.498 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.031 8.624 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.470 9.392 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.933 9.066 6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.334 7.974 7.826 1.00 0.00 H new ATOM 248 N GLU A 19 -9.677 5.183 0.828 1.00 0.00 N ATOM 249 CA GLU A 19 -9.796 4.105 -0.146 1.00 0.00 C ATOM 250 C GLU A 19 -9.518 2.752 0.504 1.00 0.00 C ATOM 251 O GLU A 19 -9.437 1.729 -0.175 1.00 0.00 O ATOM 252 CB GLU A 19 -8.832 4.331 -1.311 1.00 0.00 C ATOM 253 CG GLU A 19 -9.215 5.504 -2.199 1.00 0.00 C ATOM 254 CD GLU A 19 -8.065 5.982 -3.063 1.00 0.00 C ATOM 255 OE1 GLU A 19 -7.009 6.341 -2.501 1.00 0.00 O ATOM 256 OE2 GLU A 19 -8.220 5.997 -4.302 1.00 0.00 O ATOM 0 H GLU A 19 -8.718 5.416 1.085 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.818 4.104 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.830 4.497 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.789 3.426 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.049 5.214 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.563 6.328 -1.576 1.00 0.00 H new ATOM 263 N LYS A 20 -9.369 2.755 1.825 1.00 0.00 N ATOM 264 CA LYS A 20 -9.099 1.531 2.568 1.00 0.00 C ATOM 265 C LYS A 20 -9.760 1.572 3.943 1.00 0.00 C ATOM 266 O LYS A 20 -10.063 2.645 4.466 1.00 0.00 O ATOM 267 CB LYS A 20 -7.591 1.325 2.721 1.00 0.00 C ATOM 268 CG LYS A 20 -6.850 1.242 1.398 1.00 0.00 C ATOM 269 CD LYS A 20 -5.374 1.563 1.563 1.00 0.00 C ATOM 270 CE LYS A 20 -4.586 0.341 2.012 1.00 0.00 C ATOM 271 NZ LYS A 20 -4.660 0.145 3.486 1.00 0.00 N ATOM 0 H LYS A 20 -9.431 3.593 2.403 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.518 0.695 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.179 2.146 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.413 0.409 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.961 0.241 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.297 1.936 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.972 1.930 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.254 2.364 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.972 -0.545 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.544 0.450 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.258 -0.782 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.121 0.895 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.653 0.185 3.792 1.00 0.00 H new ATOM 285 N THR A 21 -9.981 0.397 4.523 1.00 0.00 N ATOM 286 CA THR A 21 -10.604 0.299 5.837 1.00 0.00 C ATOM 287 C THR A 21 -9.599 0.585 6.946 1.00 0.00 C ATOM 288 O THR A 21 -8.427 0.222 6.841 1.00 0.00 O ATOM 289 CB THR A 21 -11.221 -1.095 6.064 1.00 0.00 C ATOM 290 OG1 THR A 21 -12.083 -1.433 4.972 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.003 -1.134 7.368 1.00 0.00 C ATOM 0 H THR A 21 -9.738 -0.500 4.103 1.00 0.00 H new ATOM 0 HA THR A 21 -11.396 1.048 5.867 1.00 0.00 H new ATOM 0 HB THR A 21 -10.411 -1.822 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.566 -1.891 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.429 -2.127 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.336 -0.906 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.805 -0.397 7.333 1.00 0.00 H new ATOM 299 N GLN A 22 -10.065 1.235 8.007 1.00 0.00 N ATOM 300 CA GLN A 22 -9.204 1.570 9.137 1.00 0.00 C ATOM 301 C GLN A 22 -8.261 0.416 9.462 1.00 0.00 C ATOM 302 O GLN A 22 -7.058 0.612 9.628 1.00 0.00 O ATOM 303 CB GLN A 22 -10.049 1.917 10.364 1.00 0.00 C ATOM 304 CG GLN A 22 -10.470 3.375 10.420 1.00 0.00 C ATOM 305 CD GLN A 22 -11.020 3.771 11.776 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.234 3.827 11.974 1.00 0.00 O ATOM 307 NE2 GLN A 22 -10.128 4.052 12.718 1.00 0.00 N ATOM 0 H GLN A 22 -11.033 1.540 8.109 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.605 2.438 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.940 1.290 10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.484 1.676 11.264 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.614 4.006 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.226 3.561 9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.131 3.993 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.439 4.327 13.649 1.00 0.00 H new ATOM 316 N GLY A 23 -8.817 -0.789 9.552 1.00 0.00 N ATOM 317 CA GLY A 23 -8.010 -1.956 9.858 1.00 0.00 C ATOM 318 C GLY A 23 -6.833 -2.111 8.915 1.00 0.00 C ATOM 319 O GLY A 23 -5.680 -2.048 9.339 1.00 0.00 O ATOM 0 H GLY A 23 -9.811 -0.977 9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.644 -1.882 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.633 -2.849 9.806 1.00 0.00 H new ATOM 323 N GLN A 24 -7.125 -2.317 7.635 1.00 0.00 N ATOM 324 CA GLN A 24 -6.082 -2.484 6.631 1.00 0.00 C ATOM 325 C GLN A 24 -4.959 -1.474 6.840 1.00 0.00 C ATOM 326 O GLN A 24 -3.781 -1.831 6.860 1.00 0.00 O ATOM 327 CB GLN A 24 -6.666 -2.331 5.226 1.00 0.00 C ATOM 328 CG GLN A 24 -7.677 -3.408 4.868 1.00 0.00 C ATOM 329 CD GLN A 24 -8.402 -3.119 3.569 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.581 -2.760 3.569 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.702 -3.276 2.452 1.00 0.00 N ATOM 0 H GLN A 24 -8.075 -2.372 7.269 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.669 -3.487 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.143 -1.354 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.854 -2.351 4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.167 -4.368 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.405 -3.499 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.728 -3.575 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.138 -3.098 1.547 1.00 0.00 H new ATOM 340 N VAL A 25 -5.331 -0.206 6.994 1.00 0.00 N ATOM 341 CA VAL A 25 -4.355 0.858 7.201 1.00 0.00 C ATOM 342 C VAL A 25 -3.618 0.676 8.524 1.00 0.00 C ATOM 343 O VAL A 25 -2.411 0.900 8.609 1.00 0.00 O ATOM 344 CB VAL A 25 -5.026 2.244 7.186 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.006 3.334 7.480 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.710 2.490 5.850 1.00 0.00 C ATOM 0 H VAL A 25 -6.301 0.109 6.979 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.641 0.799 6.379 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.785 2.269 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.498 4.306 7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.566 3.165 8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.222 3.313 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.179 3.474 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.971 2.446 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.471 1.727 5.685 1.00 0.00 H new ATOM 356 N LYS A 26 -4.352 0.268 9.554 1.00 0.00 N ATOM 357 CA LYS A 26 -3.769 0.054 10.872 1.00 0.00 C ATOM 358 C LYS A 26 -2.679 -1.011 10.819 1.00 0.00 C ATOM 359 O LYS A 26 -1.652 -0.896 11.488 1.00 0.00 O ATOM 360 CB LYS A 26 -4.852 -0.359 11.871 1.00 0.00 C ATOM 361 CG LYS A 26 -4.304 -0.792 13.219 1.00 0.00 C ATOM 362 CD LYS A 26 -5.419 -1.050 14.218 1.00 0.00 C ATOM 363 CE LYS A 26 -6.067 -2.407 13.991 1.00 0.00 C ATOM 364 NZ LYS A 26 -7.191 -2.652 14.938 1.00 0.00 N ATOM 0 H LYS A 26 -5.353 0.079 9.500 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.320 0.992 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.536 0.477 12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.434 -1.176 11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.708 -1.696 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.638 -0.021 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.020 -1.001 15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.173 -0.267 14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.436 -2.466 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.318 -3.191 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.606 -3.587 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.835 -2.621 15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.918 -1.919 14.811 1.00 0.00 H new ATOM 378 N ILE A 27 -2.908 -2.046 10.017 1.00 0.00 N ATOM 379 CA ILE A 27 -1.944 -3.130 9.875 1.00 0.00 C ATOM 380 C ILE A 27 -0.669 -2.646 9.192 1.00 0.00 C ATOM 381 O ILE A 27 0.433 -3.082 9.529 1.00 0.00 O ATOM 382 CB ILE A 27 -2.530 -4.303 9.069 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.830 -4.792 9.711 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.521 -5.438 8.973 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.662 -5.668 8.800 1.00 0.00 C ATOM 0 H ILE A 27 -3.753 -2.156 9.456 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.707 -3.474 10.882 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.753 -3.955 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.591 -5.348 10.618 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.423 -3.929 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.951 -6.260 8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.619 -5.082 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.269 -5.787 9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.568 -5.978 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.932 -5.109 7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.087 -6.550 8.518 1.00 0.00 H new ATOM 397 N LEU A 28 -0.825 -1.740 8.232 1.00 0.00 N ATOM 398 CA LEU A 28 0.313 -1.194 7.502 1.00 0.00 C ATOM 399 C LEU A 28 1.080 -0.193 8.362 1.00 0.00 C ATOM 400 O LEU A 28 2.301 -0.279 8.489 1.00 0.00 O ATOM 401 CB LEU A 28 -0.158 -0.521 6.212 1.00 0.00 C ATOM 402 CG LEU A 28 -0.936 -1.408 5.239 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.482 -0.581 4.085 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.052 -2.532 4.720 1.00 0.00 C ATOM 0 H LEU A 28 -1.729 -1.368 7.941 1.00 0.00 H new ATOM 0 HA LEU A 28 0.982 -2.017 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.785 0.330 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.715 -0.124 5.693 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.777 -1.851 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.033 -1.228 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.149 0.189 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.656 -0.110 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.622 -3.153 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.809 -2.109 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.291 -3.141 5.557 1.00 0.00 H new ATOM 416 N GLU A 29 0.356 0.755 8.946 1.00 0.00 N ATOM 417 CA GLU A 29 0.969 1.772 9.794 1.00 0.00 C ATOM 418 C GLU A 29 1.916 1.136 10.807 1.00 0.00 C ATOM 419 O GLU A 29 3.067 1.550 10.943 1.00 0.00 O ATOM 420 CB GLU A 29 -0.108 2.579 10.521 1.00 0.00 C ATOM 421 CG GLU A 29 -0.597 3.786 9.740 1.00 0.00 C ATOM 422 CD GLU A 29 -1.599 4.617 10.516 1.00 0.00 C ATOM 423 OE1 GLU A 29 -1.604 4.530 11.761 1.00 0.00 O ATOM 424 OE2 GLU A 29 -2.379 5.355 9.877 1.00 0.00 O ATOM 0 H GLU A 29 -0.656 0.841 8.848 1.00 0.00 H new ATOM 0 HA GLU A 29 1.545 2.442 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.956 1.928 10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.287 2.914 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.256 4.410 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.053 3.451 8.808 1.00 0.00 H new ATOM 431 N ASP A 30 1.422 0.126 11.516 1.00 0.00 N ATOM 432 CA ASP A 30 2.224 -0.569 12.518 1.00 0.00 C ATOM 433 C ASP A 30 3.535 -1.066 11.916 1.00 0.00 C ATOM 434 O ASP A 30 4.589 -0.980 12.544 1.00 0.00 O ATOM 435 CB ASP A 30 1.440 -1.743 13.105 1.00 0.00 C ATOM 436 CG ASP A 30 2.053 -2.264 14.389 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.284 -2.134 14.554 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.303 -2.804 15.228 1.00 0.00 O ATOM 0 H ASP A 30 0.471 -0.230 11.416 1.00 0.00 H new ATOM 0 HA ASP A 30 2.456 0.137 13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.413 -1.431 13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.397 -2.550 12.373 1.00 0.00 H new ATOM 443 N SER A 31 3.459 -1.586 10.695 1.00 0.00 N ATOM 444 CA SER A 31 4.639 -2.101 10.009 1.00 0.00 C ATOM 445 C SER A 31 5.574 -0.965 9.608 1.00 0.00 C ATOM 446 O SER A 31 6.766 -0.986 9.919 1.00 0.00 O ATOM 447 CB SER A 31 4.227 -2.899 8.771 1.00 0.00 C ATOM 448 OG SER A 31 5.160 -3.928 8.494 1.00 0.00 O ATOM 0 H SER A 31 2.594 -1.662 10.161 1.00 0.00 H new ATOM 0 HA SER A 31 5.170 -2.759 10.697 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.239 -3.332 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.152 -2.231 7.913 1.00 0.00 H new ATOM 0 HG SER A 31 5.574 -4.228 9.330 1.00 0.00 H new ATOM 454 N PHE A 32 5.025 0.027 8.915 1.00 0.00 N ATOM 455 CA PHE A 32 5.810 1.173 8.469 1.00 0.00 C ATOM 456 C PHE A 32 6.422 1.909 9.659 1.00 0.00 C ATOM 457 O PHE A 32 7.644 1.988 9.790 1.00 0.00 O ATOM 458 CB PHE A 32 4.936 2.132 7.658 1.00 0.00 C ATOM 459 CG PHE A 32 5.707 3.256 7.026 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.180 4.308 7.794 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.958 3.260 5.663 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.888 5.343 7.213 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.667 4.292 5.077 1.00 0.00 C ATOM 464 CZ PHE A 32 7.134 5.334 5.854 1.00 0.00 C ATOM 0 H PHE A 32 4.041 0.061 8.650 1.00 0.00 H new ATOM 0 HA PHE A 32 6.618 0.805 7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.422 1.571 6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.168 2.550 8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.993 4.319 8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.595 2.447 5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.249 6.159 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.855 4.283 4.014 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.691 6.140 5.400 1.00 0.00 H new ATOM 474 N LEU A 33 5.565 2.446 10.520 1.00 0.00 N ATOM 475 CA LEU A 33 6.020 3.175 11.699 1.00 0.00 C ATOM 476 C LEU A 33 7.295 2.554 12.265 1.00 0.00 C ATOM 477 O LEU A 33 8.207 3.263 12.691 1.00 0.00 O ATOM 478 CB LEU A 33 4.927 3.189 12.768 1.00 0.00 C ATOM 479 CG LEU A 33 3.855 4.267 12.616 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.594 3.878 13.373 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.376 5.612 13.102 1.00 0.00 C ATOM 0 H LEU A 33 4.551 2.390 10.424 1.00 0.00 H new ATOM 0 HA LEU A 33 6.239 4.200 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.437 2.215 12.771 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.401 3.311 13.742 1.00 0.00 H new ATOM 0 HG LEU A 33 3.607 4.357 11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.842 4.658 13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.208 2.938 12.978 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.827 3.759 14.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.598 6.367 12.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.654 5.536 14.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.249 5.897 12.515 1.00 0.00 H new ATOM 493 N LYS A 34 7.350 1.227 12.265 1.00 0.00 N ATOM 494 CA LYS A 34 8.512 0.510 12.775 1.00 0.00 C ATOM 495 C LYS A 34 9.646 0.516 11.755 1.00 0.00 C ATOM 496 O LYS A 34 10.748 0.985 12.042 1.00 0.00 O ATOM 497 CB LYS A 34 8.135 -0.932 13.124 1.00 0.00 C ATOM 498 CG LYS A 34 7.499 -1.079 14.494 1.00 0.00 C ATOM 499 CD LYS A 34 7.019 -2.501 14.737 1.00 0.00 C ATOM 500 CE LYS A 34 6.782 -2.764 16.216 1.00 0.00 C ATOM 501 NZ LYS A 34 5.945 -3.976 16.436 1.00 0.00 N ATOM 0 H LYS A 34 6.603 0.626 11.917 1.00 0.00 H new ATOM 0 HA LYS A 34 8.854 1.019 13.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.445 -1.311 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.029 -1.554 13.079 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.220 -0.801 15.263 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.659 -0.390 14.582 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.096 -2.674 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.757 -3.206 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.740 -2.888 16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.294 -1.899 16.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.806 -4.121 17.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.021 -3.848 15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.422 -4.806 16.030 1.00 0.00 H new ATOM 515 N SER A 35 9.369 -0.004 10.564 1.00 0.00 N ATOM 516 CA SER A 35 10.368 -0.060 9.502 1.00 0.00 C ATOM 517 C SER A 35 9.779 0.417 8.177 1.00 0.00 C ATOM 518 O SER A 35 9.017 -0.302 7.531 1.00 0.00 O ATOM 519 CB SER A 35 10.905 -1.485 9.353 1.00 0.00 C ATOM 520 OG SER A 35 9.853 -2.403 9.106 1.00 0.00 O ATOM 0 H SER A 35 8.461 -0.393 10.309 1.00 0.00 H new ATOM 0 HA SER A 35 11.190 0.603 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.624 -1.522 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.438 -1.773 10.259 1.00 0.00 H new ATOM 0 HG SER A 35 9.208 -2.002 8.487 1.00 0.00 H new ATOM 526 N SER A 36 10.139 1.633 7.780 1.00 0.00 N ATOM 527 CA SER A 36 9.645 2.207 6.535 1.00 0.00 C ATOM 528 C SER A 36 9.677 1.177 5.410 1.00 0.00 C ATOM 529 O SER A 36 8.691 0.987 4.698 1.00 0.00 O ATOM 530 CB SER A 36 10.479 3.430 6.146 1.00 0.00 C ATOM 531 OG SER A 36 11.824 3.068 5.888 1.00 0.00 O ATOM 0 H SER A 36 10.771 2.239 8.303 1.00 0.00 H new ATOM 0 HA SER A 36 8.611 2.515 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.050 3.901 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.445 4.168 6.948 1.00 0.00 H new ATOM 0 HG SER A 36 12.336 3.866 5.640 1.00 0.00 H new ATOM 537 N PHE A 37 10.818 0.514 5.257 1.00 0.00 N ATOM 538 CA PHE A 37 10.980 -0.497 4.218 1.00 0.00 C ATOM 539 C PHE A 37 10.791 -1.899 4.791 1.00 0.00 C ATOM 540 O PHE A 37 11.677 -2.458 5.437 1.00 0.00 O ATOM 541 CB PHE A 37 12.364 -0.379 3.575 1.00 0.00 C ATOM 542 CG PHE A 37 12.393 0.524 2.376 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.141 1.880 2.507 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.671 0.016 1.116 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.166 2.713 1.404 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.697 0.844 0.011 1.00 0.00 C ATOM 547 CZ PHE A 37 12.446 2.195 0.155 1.00 0.00 C ATOM 0 H PHE A 37 11.644 0.658 5.838 1.00 0.00 H new ATOM 0 HA PHE A 37 10.218 -0.328 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.070 -0.007 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.705 -1.372 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.923 2.291 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.869 -1.039 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.967 3.768 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.913 0.436 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.469 2.845 -0.708 1.00 0.00 H new ATOM 557 N PRO A 38 9.607 -2.481 4.547 1.00 0.00 N ATOM 558 CA PRO A 38 9.273 -3.825 5.028 1.00 0.00 C ATOM 559 C PRO A 38 10.066 -4.913 4.311 1.00 0.00 C ATOM 560 O PRO A 38 10.495 -4.733 3.170 1.00 0.00 O ATOM 561 CB PRO A 38 7.781 -3.954 4.710 1.00 0.00 C ATOM 562 CG PRO A 38 7.553 -3.018 3.574 1.00 0.00 C ATOM 563 CD PRO A 38 8.505 -1.874 3.783 1.00 0.00 C ATOM 0 HA PRO A 38 9.511 -3.950 6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.521 -4.977 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.168 -3.688 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.738 -3.510 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.521 -2.669 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.852 -1.462 2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.037 -1.057 4.333 1.00 0.00 H new ATOM 571 N THR A 39 10.257 -6.041 4.986 1.00 0.00 N ATOM 572 CA THR A 39 10.998 -7.157 4.413 1.00 0.00 C ATOM 573 C THR A 39 10.060 -8.157 3.746 1.00 0.00 C ATOM 574 O THR A 39 8.844 -8.099 3.931 1.00 0.00 O ATOM 575 CB THR A 39 11.831 -7.887 5.483 1.00 0.00 C ATOM 576 OG1 THR A 39 12.706 -8.836 4.862 1.00 0.00 O ATOM 577 CG2 THR A 39 10.927 -8.600 6.479 1.00 0.00 C ATOM 0 H THR A 39 9.909 -6.206 5.930 1.00 0.00 H new ATOM 0 HA THR A 39 11.669 -6.738 3.664 1.00 0.00 H new ATOM 0 HB THR A 39 12.423 -7.145 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.233 -9.294 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.537 -9.109 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.283 -7.872 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.312 -9.331 5.954 1.00 0.00 H new ATOM 585 N GLN A 40 10.633 -9.074 2.973 1.00 0.00 N ATOM 586 CA GLN A 40 9.845 -10.088 2.279 1.00 0.00 C ATOM 587 C GLN A 40 8.798 -10.692 3.208 1.00 0.00 C ATOM 588 O GLN A 40 7.598 -10.575 2.965 1.00 0.00 O ATOM 589 CB GLN A 40 10.757 -11.188 1.734 1.00 0.00 C ATOM 590 CG GLN A 40 11.581 -10.754 0.532 1.00 0.00 C ATOM 591 CD GLN A 40 10.743 -10.591 -0.720 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.088 -9.443 -0.849 1.00 0.00 O flip ATOM 593 NE2 GLN A 40 10.686 -11.486 -1.564 1.00 0.00 N flip ATOM 0 H GLN A 40 11.638 -9.136 2.811 1.00 0.00 H new ATOM 0 HA GLN A 40 9.331 -9.607 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.430 -11.516 2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.149 -12.048 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.077 -9.810 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.364 -11.490 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.206 -12.352 -1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.119 -11.361 -2.403 1.00 0.00 H new ATOM 602 N ALA A 41 9.261 -11.341 4.272 1.00 0.00 N ATOM 603 CA ALA A 41 8.364 -11.964 5.238 1.00 0.00 C ATOM 604 C ALA A 41 7.280 -10.989 5.686 1.00 0.00 C ATOM 605 O ALA A 41 6.092 -11.308 5.648 1.00 0.00 O ATOM 606 CB ALA A 41 9.150 -12.471 6.437 1.00 0.00 C ATOM 0 H ALA A 41 10.252 -11.449 4.487 1.00 0.00 H new ATOM 0 HA ALA A 41 7.877 -12.811 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.468 -12.934 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.883 -13.207 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.663 -11.637 6.915 1.00 0.00 H new ATOM 612 N GLU A 42 7.697 -9.802 6.113 1.00 0.00 N ATOM 613 CA GLU A 42 6.760 -8.784 6.573 1.00 0.00 C ATOM 614 C GLU A 42 5.667 -8.543 5.534 1.00 0.00 C ATOM 615 O GLU A 42 4.500 -8.862 5.761 1.00 0.00 O ATOM 616 CB GLU A 42 7.498 -7.475 6.863 1.00 0.00 C ATOM 617 CG GLU A 42 6.611 -6.395 7.460 1.00 0.00 C ATOM 618 CD GLU A 42 6.419 -6.558 8.956 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.063 -7.674 9.391 1.00 0.00 O ATOM 620 OE2 GLU A 42 6.625 -5.569 9.691 1.00 0.00 O ATOM 0 H GLU A 42 8.677 -9.521 6.150 1.00 0.00 H new ATOM 0 HA GLU A 42 6.294 -9.143 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.322 -7.676 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.937 -7.102 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.049 -5.418 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.638 -6.416 6.968 1.00 0.00 H new ATOM 627 N LEU A 43 6.054 -7.979 4.396 1.00 0.00 N ATOM 628 CA LEU A 43 5.108 -7.695 3.323 1.00 0.00 C ATOM 629 C LEU A 43 4.132 -8.852 3.137 1.00 0.00 C ATOM 630 O LEU A 43 2.918 -8.675 3.241 1.00 0.00 O ATOM 631 CB LEU A 43 5.856 -7.428 2.014 1.00 0.00 C ATOM 632 CG LEU A 43 6.239 -5.972 1.745 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.216 -5.884 0.584 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.998 -5.137 1.466 1.00 0.00 C ATOM 0 H LEU A 43 7.016 -7.709 4.192 1.00 0.00 H new ATOM 0 HA LEU A 43 4.541 -6.806 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.765 -8.029 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.238 -7.779 1.188 1.00 0.00 H new ATOM 0 HG LEU A 43 6.727 -5.574 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.477 -4.841 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.117 -6.448 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.755 -6.300 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.290 -4.104 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.481 -5.534 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.333 -5.174 2.329 1.00 0.00 H new ATOM 646 N ASP A 44 4.671 -10.035 2.865 1.00 0.00 N ATOM 647 CA ASP A 44 3.846 -11.222 2.669 1.00 0.00 C ATOM 648 C ASP A 44 2.673 -11.237 3.643 1.00 0.00 C ATOM 649 O ASP A 44 1.549 -11.579 3.273 1.00 0.00 O ATOM 650 CB ASP A 44 4.688 -12.487 2.844 1.00 0.00 C ATOM 651 CG ASP A 44 3.938 -13.741 2.442 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.506 -13.826 1.273 1.00 0.00 O ATOM 653 OD2 ASP A 44 3.786 -14.640 3.294 1.00 0.00 O ATOM 0 H ASP A 44 5.674 -10.198 2.775 1.00 0.00 H new ATOM 0 HA ASP A 44 3.450 -11.196 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.595 -12.402 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.000 -12.571 3.885 1.00 0.00 H new ATOM 658 N ARG A 45 2.943 -10.865 4.891 1.00 0.00 N ATOM 659 CA ARG A 45 1.909 -10.839 5.919 1.00 0.00 C ATOM 660 C ARG A 45 1.014 -9.613 5.758 1.00 0.00 C ATOM 661 O ARG A 45 -0.204 -9.696 5.924 1.00 0.00 O ATOM 662 CB ARG A 45 2.545 -10.840 7.311 1.00 0.00 C ATOM 663 CG ARG A 45 1.689 -11.513 8.370 1.00 0.00 C ATOM 664 CD ARG A 45 1.996 -12.999 8.474 1.00 0.00 C ATOM 665 NE ARG A 45 3.362 -13.245 8.927 1.00 0.00 N ATOM 666 CZ ARG A 45 3.885 -14.459 9.059 1.00 0.00 C ATOM 667 NH1 ARG A 45 3.158 -15.532 8.776 1.00 0.00 N ATOM 668 NH2 ARG A 45 5.136 -14.603 9.476 1.00 0.00 N ATOM 0 H ARG A 45 3.867 -10.578 5.214 1.00 0.00 H new ATOM 0 HA ARG A 45 1.296 -11.733 5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.509 -11.345 7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.740 -9.811 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.861 -11.037 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.635 -11.374 8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.295 -13.466 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.846 -13.469 7.502 1.00 0.00 H new ATOM 0 HE ARG A 45 3.947 -12.441 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.195 -15.426 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.562 -16.463 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.698 -13.781 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.536 -15.536 9.577 1.00 0.00 H new ATOM 682 N LEU A 46 1.624 -8.479 5.435 1.00 0.00 N ATOM 683 CA LEU A 46 0.883 -7.236 5.253 1.00 0.00 C ATOM 684 C LEU A 46 -0.161 -7.382 4.151 1.00 0.00 C ATOM 685 O LEU A 46 -1.315 -6.989 4.320 1.00 0.00 O ATOM 686 CB LEU A 46 1.841 -6.092 4.916 1.00 0.00 C ATOM 687 CG LEU A 46 2.952 -5.825 5.932 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.759 -4.600 5.531 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.366 -5.648 7.326 1.00 0.00 C ATOM 0 H LEU A 46 2.631 -8.394 5.294 1.00 0.00 H new ATOM 0 HA LEU A 46 0.370 -7.008 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.302 -6.303 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.257 -5.179 4.798 1.00 0.00 H new ATOM 0 HG LEU A 46 3.621 -6.685 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.545 -4.426 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.208 -4.765 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.103 -3.730 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.170 -5.459 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.675 -4.805 7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.832 -6.554 7.614 1.00 0.00 H new ATOM 701 N ARG A 47 0.252 -7.952 3.024 1.00 0.00 N ATOM 702 CA ARG A 47 -0.648 -8.150 1.893 1.00 0.00 C ATOM 703 C ARG A 47 -1.856 -8.987 2.302 1.00 0.00 C ATOM 704 O ARG A 47 -2.985 -8.498 2.322 1.00 0.00 O ATOM 705 CB ARG A 47 0.091 -8.830 0.739 1.00 0.00 C ATOM 706 CG ARG A 47 1.160 -7.959 0.101 1.00 0.00 C ATOM 707 CD ARG A 47 2.147 -8.786 -0.705 1.00 0.00 C ATOM 708 NE ARG A 47 1.563 -9.271 -1.952 1.00 0.00 N ATOM 709 CZ ARG A 47 2.064 -10.284 -2.653 1.00 0.00 C ATOM 710 NH1 ARG A 47 3.150 -10.914 -2.230 1.00 0.00 N ATOM 711 NH2 ARG A 47 1.474 -10.667 -3.780 1.00 0.00 N ATOM 0 H ARG A 47 1.204 -8.285 2.869 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.999 -7.172 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.553 -9.747 1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.632 -9.120 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.689 -7.220 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.693 -7.409 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.028 -8.184 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.483 -9.634 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 47 0.725 -8.808 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.604 -10.622 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.532 -11.691 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.637 -10.184 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.858 -11.444 -4.318 1.00 0.00 H new ATOM 725 N VAL A 48 -1.610 -10.253 2.626 1.00 0.00 N ATOM 726 CA VAL A 48 -2.679 -11.158 3.035 1.00 0.00 C ATOM 727 C VAL A 48 -3.526 -10.543 4.143 1.00 0.00 C ATOM 728 O VAL A 48 -4.751 -10.495 4.043 1.00 0.00 O ATOM 729 CB VAL A 48 -2.114 -12.506 3.524 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.946 -12.284 4.472 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.205 -13.328 4.192 1.00 0.00 C ATOM 0 H VAL A 48 -0.681 -10.675 2.613 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.303 -11.329 2.158 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.748 -13.062 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.561 -13.247 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.157 -11.737 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.282 -11.708 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.789 -14.277 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.602 -12.780 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.006 -13.518 3.478 1.00 0.00 H new ATOM 741 N GLU A 49 -2.865 -10.074 5.196 1.00 0.00 N ATOM 742 CA GLU A 49 -3.560 -9.462 6.322 1.00 0.00 C ATOM 743 C GLU A 49 -4.511 -8.368 5.846 1.00 0.00 C ATOM 744 O GLU A 49 -5.725 -8.465 6.021 1.00 0.00 O ATOM 745 CB GLU A 49 -2.553 -8.881 7.317 1.00 0.00 C ATOM 746 CG GLU A 49 -1.811 -9.936 8.119 1.00 0.00 C ATOM 747 CD GLU A 49 -0.601 -9.378 8.842 1.00 0.00 C ATOM 748 OE1 GLU A 49 0.119 -8.552 8.240 1.00 0.00 O ATOM 749 OE2 GLU A 49 -0.374 -9.763 10.008 1.00 0.00 O ATOM 0 H GLU A 49 -1.850 -10.106 5.293 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.145 -10.236 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.829 -8.273 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.076 -8.216 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.491 -10.379 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.493 -10.737 7.451 1.00 0.00 H new ATOM 756 N THR A 50 -3.949 -7.325 5.242 1.00 0.00 N ATOM 757 CA THR A 50 -4.744 -6.211 4.742 1.00 0.00 C ATOM 758 C THR A 50 -5.528 -6.611 3.497 1.00 0.00 C ATOM 759 O THR A 50 -6.344 -5.841 2.991 1.00 0.00 O ATOM 760 CB THR A 50 -3.859 -4.994 4.410 1.00 0.00 C ATOM 761 OG1 THR A 50 -2.925 -5.335 3.380 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.111 -4.515 5.644 1.00 0.00 C ATOM 0 H THR A 50 -2.945 -7.229 5.088 1.00 0.00 H new ATOM 0 HA THR A 50 -5.441 -5.938 5.534 1.00 0.00 H new ATOM 0 HB THR A 50 -4.504 -4.187 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.104 -5.685 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.493 -3.655 5.384 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.826 -4.228 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.476 -5.318 6.019 1.00 0.00 H new ATOM 770 N LYS A 51 -5.277 -7.820 3.009 1.00 0.00 N ATOM 771 CA LYS A 51 -5.960 -8.324 1.824 1.00 0.00 C ATOM 772 C LYS A 51 -5.664 -7.448 0.612 1.00 0.00 C ATOM 773 O LYS A 51 -6.565 -7.107 -0.156 1.00 0.00 O ATOM 774 CB LYS A 51 -7.470 -8.385 2.067 1.00 0.00 C ATOM 775 CG LYS A 51 -7.870 -9.338 3.179 1.00 0.00 C ATOM 776 CD LYS A 51 -7.836 -10.784 2.713 1.00 0.00 C ATOM 777 CE LYS A 51 -8.095 -11.746 3.862 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.222 -13.154 3.389 1.00 0.00 N ATOM 0 H LYS A 51 -4.605 -8.470 3.416 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.590 -9.329 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.831 -7.385 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.966 -8.688 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.197 -9.212 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.872 -9.091 3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.585 -10.934 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.865 -11.001 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.281 -11.677 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.007 -11.454 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.398 -13.779 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.015 -13.225 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.342 -13.442 2.915 1.00 0.00 H new ATOM 792 N LEU A 52 -4.397 -7.089 0.442 1.00 0.00 N ATOM 793 CA LEU A 52 -3.982 -6.252 -0.679 1.00 0.00 C ATOM 794 C LEU A 52 -2.779 -6.859 -1.395 1.00 0.00 C ATOM 795 O LEU A 52 -2.174 -7.816 -0.912 1.00 0.00 O ATOM 796 CB LEU A 52 -3.642 -4.842 -0.192 1.00 0.00 C ATOM 797 CG LEU A 52 -4.727 -4.132 0.618 1.00 0.00 C ATOM 798 CD1 LEU A 52 -4.119 -3.039 1.482 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.790 -3.556 -0.305 1.00 0.00 C ATOM 0 H LEU A 52 -3.638 -7.364 1.066 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.811 -6.195 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.740 -4.897 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.404 -4.227 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.201 -4.863 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.906 -2.545 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.396 -3.478 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.618 -2.309 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.554 -3.054 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.331 -2.839 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.248 -4.361 -0.880 1.00 0.00 H new ATOM 811 N SER A 53 -2.437 -6.295 -2.549 1.00 0.00 N ATOM 812 CA SER A 53 -1.307 -6.781 -3.332 1.00 0.00 C ATOM 813 C SER A 53 -0.083 -5.893 -3.129 1.00 0.00 C ATOM 814 O SER A 53 -0.176 -4.813 -2.547 1.00 0.00 O ATOM 815 CB SER A 53 -1.672 -6.833 -4.817 1.00 0.00 C ATOM 816 OG SER A 53 -2.581 -7.889 -5.081 1.00 0.00 O ATOM 0 H SER A 53 -2.926 -5.501 -2.962 1.00 0.00 H new ATOM 0 HA SER A 53 -1.066 -7.787 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.114 -5.884 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.769 -6.968 -5.412 1.00 0.00 H new ATOM 0 HG SER A 53 -2.800 -7.901 -6.036 1.00 0.00 H new ATOM 822 N ARG A 54 1.064 -6.358 -3.614 1.00 0.00 N ATOM 823 CA ARG A 54 2.307 -5.608 -3.486 1.00 0.00 C ATOM 824 C ARG A 54 2.115 -4.158 -3.923 1.00 0.00 C ATOM 825 O ARG A 54 2.464 -3.228 -3.196 1.00 0.00 O ATOM 826 CB ARG A 54 3.411 -6.261 -4.320 1.00 0.00 C ATOM 827 CG ARG A 54 3.754 -7.674 -3.876 1.00 0.00 C ATOM 828 CD ARG A 54 5.244 -7.950 -3.995 1.00 0.00 C ATOM 829 NE ARG A 54 5.726 -7.764 -5.363 1.00 0.00 N ATOM 830 CZ ARG A 54 6.997 -7.909 -5.718 1.00 0.00 C ATOM 831 NH1 ARG A 54 7.909 -8.237 -4.815 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.358 -7.724 -6.981 1.00 0.00 N ATOM 0 H ARG A 54 1.158 -7.250 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 54 2.601 -5.618 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.101 -6.283 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.308 -5.644 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.438 -7.819 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.201 -8.391 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.791 -7.287 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.451 -8.971 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 54 5.050 -7.509 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.636 -8.379 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.884 -8.347 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.659 -7.470 -7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.334 -7.835 -7.254 1.00 0.00 H new ATOM 846 N ARG A 55 1.561 -3.974 -5.116 1.00 0.00 N ATOM 847 CA ARG A 55 1.324 -2.639 -5.652 1.00 0.00 C ATOM 848 C ARG A 55 0.482 -1.808 -4.689 1.00 0.00 C ATOM 849 O ARG A 55 0.878 -0.715 -4.287 1.00 0.00 O ATOM 850 CB ARG A 55 0.626 -2.727 -7.011 1.00 0.00 C ATOM 851 CG ARG A 55 1.437 -3.463 -8.065 1.00 0.00 C ATOM 852 CD ARG A 55 0.576 -3.858 -9.254 1.00 0.00 C ATOM 853 NE ARG A 55 -0.315 -4.971 -8.939 1.00 0.00 N ATOM 854 CZ ARG A 55 -1.440 -5.222 -9.601 1.00 0.00 C ATOM 855 NH1 ARG A 55 -1.808 -4.443 -10.607 1.00 0.00 N ATOM 856 NH2 ARG A 55 -2.198 -6.255 -9.254 1.00 0.00 N ATOM 0 H ARG A 55 1.267 -4.733 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 55 2.290 -2.150 -5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.333 -3.230 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.413 -1.719 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.257 -2.829 -8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.883 -4.355 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.015 -3.000 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.218 -4.133 -10.091 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.060 -5.590 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.228 -3.648 -10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.672 -4.638 -11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.917 -6.856 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.061 -6.448 -9.762 1.00 0.00 H new ATOM 870 N GLU A 56 -0.682 -2.336 -4.323 1.00 0.00 N ATOM 871 CA GLU A 56 -1.582 -1.641 -3.407 1.00 0.00 C ATOM 872 C GLU A 56 -0.799 -0.972 -2.281 1.00 0.00 C ATOM 873 O GLU A 56 -0.801 0.253 -2.153 1.00 0.00 O ATOM 874 CB GLU A 56 -2.605 -2.618 -2.823 1.00 0.00 C ATOM 875 CG GLU A 56 -3.616 -3.120 -3.839 1.00 0.00 C ATOM 876 CD GLU A 56 -4.432 -1.999 -4.453 1.00 0.00 C ATOM 877 OE1 GLU A 56 -3.880 -1.256 -5.293 1.00 0.00 O ATOM 878 OE2 GLU A 56 -5.620 -1.863 -4.094 1.00 0.00 O ATOM 0 H GLU A 56 -1.024 -3.241 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.108 -0.869 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.078 -3.471 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.136 -2.130 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.094 -3.659 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.287 -3.831 -3.357 1.00 0.00 H new ATOM 885 N ILE A 57 -0.134 -1.784 -1.467 1.00 0.00 N ATOM 886 CA ILE A 57 0.652 -1.271 -0.352 1.00 0.00 C ATOM 887 C ILE A 57 1.764 -0.348 -0.842 1.00 0.00 C ATOM 888 O ILE A 57 1.936 0.759 -0.333 1.00 0.00 O ATOM 889 CB ILE A 57 1.275 -2.413 0.471 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.185 -3.367 0.968 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.069 -1.853 1.642 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.716 -4.708 1.421 1.00 0.00 C ATOM 0 H ILE A 57 -0.124 -2.800 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.032 -0.708 0.283 1.00 0.00 H new ATOM 0 HB ILE A 57 1.957 -2.971 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.347 -2.898 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.541 -3.524 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.503 -2.674 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.866 -1.211 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.408 -1.273 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.112 -5.331 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.223 -5.198 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.420 -4.563 2.241 1.00 0.00 H new ATOM 904 N ASP A 58 2.515 -0.811 -1.834 1.00 0.00 N ATOM 905 CA ASP A 58 3.609 -0.027 -2.395 1.00 0.00 C ATOM 906 C ASP A 58 3.260 1.457 -2.414 1.00 0.00 C ATOM 907 O ASP A 58 3.992 2.285 -1.872 1.00 0.00 O ATOM 908 CB ASP A 58 3.934 -0.505 -3.812 1.00 0.00 C ATOM 909 CG ASP A 58 5.382 -0.262 -4.188 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.026 0.593 -3.546 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.872 -0.929 -5.122 1.00 0.00 O ATOM 0 H ASP A 58 2.387 -1.726 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 58 4.485 -0.168 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.715 -1.570 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.286 0.008 -4.523 1.00 0.00 H new ATOM 916 N SER A 59 2.135 1.788 -3.042 1.00 0.00 N ATOM 917 CA SER A 59 1.692 3.173 -3.135 1.00 0.00 C ATOM 918 C SER A 59 1.557 3.795 -1.749 1.00 0.00 C ATOM 919 O SER A 59 2.023 4.909 -1.509 1.00 0.00 O ATOM 920 CB SER A 59 0.355 3.254 -3.874 1.00 0.00 C ATOM 921 OG SER A 59 -0.687 2.669 -3.110 1.00 0.00 O ATOM 0 H SER A 59 1.515 1.115 -3.493 1.00 0.00 H new ATOM 0 HA SER A 59 2.443 3.732 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.115 4.296 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.436 2.745 -4.835 1.00 0.00 H new ATOM 0 HG SER A 59 -0.412 1.778 -2.810 1.00 0.00 H new ATOM 927 N TRP A 60 0.916 3.069 -0.840 1.00 0.00 N ATOM 928 CA TRP A 60 0.719 3.548 0.522 1.00 0.00 C ATOM 929 C TRP A 60 2.048 3.933 1.161 1.00 0.00 C ATOM 930 O TRP A 60 2.237 5.075 1.582 1.00 0.00 O ATOM 931 CB TRP A 60 0.024 2.477 1.366 1.00 0.00 C ATOM 932 CG TRP A 60 -0.494 2.996 2.674 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.751 3.464 2.929 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.233 3.097 3.903 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.850 3.854 4.244 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.647 3.637 4.864 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.539 2.785 4.288 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.259 3.870 6.179 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.922 3.017 5.595 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.026 3.555 6.528 1.00 0.00 C ATOM 0 H TRP A 60 0.524 2.145 -1.023 1.00 0.00 H new ATOM 0 HA TRP A 60 0.087 4.435 0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.805 2.056 0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.724 1.664 1.557 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.550 3.520 2.205 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.683 4.242 4.686 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.237 2.370 3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.948 4.285 6.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.930 2.779 5.903 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.356 3.724 7.542 1.00 0.00 H new ATOM 951 N PHE A 61 2.966 2.975 1.229 1.00 0.00 N ATOM 952 CA PHE A 61 4.279 3.216 1.818 1.00 0.00 C ATOM 953 C PHE A 61 5.002 4.346 1.092 1.00 0.00 C ATOM 954 O PHE A 61 5.511 5.275 1.719 1.00 0.00 O ATOM 955 CB PHE A 61 5.124 1.941 1.771 1.00 0.00 C ATOM 956 CG PHE A 61 4.778 0.953 2.847 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.487 0.468 2.974 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.747 0.507 3.733 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.166 -0.442 3.964 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.433 -0.403 4.725 1.00 0.00 C ATOM 961 CZ PHE A 61 4.140 -0.877 4.840 1.00 0.00 C ATOM 0 H PHE A 61 2.826 2.025 0.884 1.00 0.00 H new ATOM 0 HA PHE A 61 4.135 3.510 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.997 1.466 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.177 2.209 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.721 0.805 2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.759 0.875 3.647 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.155 -0.812 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.197 -0.743 5.409 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.892 -1.587 5.615 1.00 0.00 H new ATOM 971 N SER A 62 5.041 4.260 -0.234 1.00 0.00 N ATOM 972 CA SER A 62 5.706 5.272 -1.046 1.00 0.00 C ATOM 973 C SER A 62 5.299 6.676 -0.605 1.00 0.00 C ATOM 974 O SER A 62 6.149 7.531 -0.361 1.00 0.00 O ATOM 975 CB SER A 62 5.368 5.072 -2.524 1.00 0.00 C ATOM 976 OG SER A 62 6.215 4.102 -3.114 1.00 0.00 O ATOM 0 H SER A 62 4.620 3.500 -0.768 1.00 0.00 H new ATOM 0 HA SER A 62 6.782 5.164 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.328 4.760 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.469 6.019 -3.055 1.00 0.00 H new ATOM 0 HG SER A 62 5.868 3.205 -2.923 1.00 0.00 H new ATOM 982 N GLU A 63 3.992 6.902 -0.505 1.00 0.00 N ATOM 983 CA GLU A 63 3.473 8.201 -0.093 1.00 0.00 C ATOM 984 C GLU A 63 3.762 8.460 1.383 1.00 0.00 C ATOM 985 O GLU A 63 4.262 9.523 1.750 1.00 0.00 O ATOM 986 CB GLU A 63 1.967 8.277 -0.351 1.00 0.00 C ATOM 987 CG GLU A 63 1.612 8.816 -1.728 1.00 0.00 C ATOM 988 CD GLU A 63 1.533 7.724 -2.778 1.00 0.00 C ATOM 989 OE1 GLU A 63 2.453 6.881 -2.827 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.553 7.714 -3.552 1.00 0.00 O ATOM 0 H GLU A 63 3.275 6.204 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 63 3.975 8.968 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.537 7.282 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.508 8.911 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.655 9.335 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.357 9.552 -2.030 1.00 0.00 H new ATOM 997 N ARG A 64 3.440 7.482 2.222 1.00 0.00 N ATOM 998 CA ARG A 64 3.661 7.604 3.659 1.00 0.00 C ATOM 999 C ARG A 64 5.050 8.167 3.948 1.00 0.00 C ATOM 1000 O ARG A 64 5.218 9.010 4.829 1.00 0.00 O ATOM 1001 CB ARG A 64 3.499 6.244 4.339 1.00 0.00 C ATOM 1002 CG ARG A 64 3.450 6.323 5.857 1.00 0.00 C ATOM 1003 CD ARG A 64 2.208 7.057 6.336 1.00 0.00 C ATOM 1004 NE ARG A 64 1.839 6.676 7.697 1.00 0.00 N ATOM 1005 CZ ARG A 64 1.056 7.410 8.479 1.00 0.00 C ATOM 1006 NH1 ARG A 64 0.563 8.558 8.038 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.765 6.996 9.705 1.00 0.00 N ATOM 0 H ARG A 64 3.025 6.596 1.933 1.00 0.00 H new ATOM 0 HA ARG A 64 2.917 8.293 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.584 5.774 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.327 5.599 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.463 5.317 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.340 6.833 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.384 8.132 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.378 6.844 5.662 1.00 0.00 H new ATOM 0 HE ARG A 64 2.203 5.798 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.785 8.880 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.038 9.120 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.143 6.113 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.163 7.561 10.305 1.00 0.00 H new ATOM 1021 N ARG A 65 6.042 7.693 3.200 1.00 0.00 N ATOM 1022 CA ARG A 65 7.416 8.148 3.378 1.00 0.00 C ATOM 1023 C ARG A 65 7.508 9.665 3.249 1.00 0.00 C ATOM 1024 O ARG A 65 8.090 10.338 4.099 1.00 0.00 O ATOM 1025 CB ARG A 65 8.333 7.480 2.350 1.00 0.00 C ATOM 1026 CG ARG A 65 8.865 6.128 2.797 1.00 0.00 C ATOM 1027 CD ARG A 65 10.196 5.808 2.136 1.00 0.00 C ATOM 1028 NE ARG A 65 11.276 6.652 2.642 1.00 0.00 N ATOM 1029 CZ ARG A 65 12.390 6.907 1.965 1.00 0.00 C ATOM 1030 NH1 ARG A 65 12.570 6.385 0.759 1.00 0.00 N ATOM 1031 NH2 ARG A 65 13.325 7.683 2.493 1.00 0.00 N ATOM 0 H ARG A 65 5.920 6.995 2.466 1.00 0.00 H new ATOM 0 HA ARG A 65 7.739 7.867 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.787 7.355 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.174 8.141 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.985 6.123 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.140 5.352 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.444 4.761 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.107 5.941 1.058 1.00 0.00 H new ATOM 0 HE ARG A 65 11.169 7.069 3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.852 5.787 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.426 6.582 0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.190 8.085 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.180 7.878 1.972 1.00 0.00 H new ATOM 1045 N LYS A 66 6.932 10.198 2.177 1.00 0.00 N ATOM 1046 CA LYS A 66 6.947 11.635 1.934 1.00 0.00 C ATOM 1047 C LYS A 66 6.566 12.404 3.195 1.00 0.00 C ATOM 1048 O LYS A 66 7.247 13.355 3.584 1.00 0.00 O ATOM 1049 CB LYS A 66 5.987 11.992 0.798 1.00 0.00 C ATOM 1050 CG LYS A 66 6.605 11.864 -0.584 1.00 0.00 C ATOM 1051 CD LYS A 66 6.404 10.471 -1.158 1.00 0.00 C ATOM 1052 CE LYS A 66 7.394 10.181 -2.275 1.00 0.00 C ATOM 1053 NZ LYS A 66 8.716 9.748 -1.744 1.00 0.00 N ATOM 0 H LYS A 66 6.448 9.655 1.462 1.00 0.00 H new ATOM 0 HA LYS A 66 7.960 11.918 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.112 11.345 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.637 13.015 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.160 12.601 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.671 12.086 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.519 9.730 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.387 10.376 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.991 9.404 -2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.523 11.074 -2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.363 9.560 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.112 10.499 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.597 8.882 -1.181 1.00 0.00 H new ATOM 1067 N LEU A 67 5.478 11.986 3.831 1.00 0.00 N ATOM 1068 CA LEU A 67 5.007 12.636 5.051 1.00 0.00 C ATOM 1069 C LEU A 67 6.150 12.817 6.046 1.00 0.00 C ATOM 1070 O LEU A 67 6.476 13.939 6.432 1.00 0.00 O ATOM 1071 CB LEU A 67 3.885 11.814 5.687 1.00 0.00 C ATOM 1072 CG LEU A 67 2.724 11.434 4.769 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.743 10.526 5.493 1.00 0.00 C ATOM 1074 CD2 LEU A 67 2.020 12.684 4.257 1.00 0.00 C ATOM 0 H LEU A 67 4.905 11.200 3.523 1.00 0.00 H new ATOM 0 HA LEU A 67 4.622 13.621 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.317 10.898 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.485 12.376 6.531 1.00 0.00 H new ATOM 0 HG LEU A 67 3.125 10.889 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.924 10.267 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.254 9.617 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.347 11.042 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.196 12.396 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.632 13.255 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.727 13.297 3.699 1.00 0.00 H new ATOM 1086 N ARG A 68 6.753 11.705 6.454 1.00 0.00 N ATOM 1087 CA ARG A 68 7.859 11.742 7.403 1.00 0.00 C ATOM 1088 C ARG A 68 8.880 12.807 7.009 1.00 0.00 C ATOM 1089 O ARG A 68 9.335 13.585 7.846 1.00 0.00 O ATOM 1090 CB ARG A 68 8.538 10.373 7.481 1.00 0.00 C ATOM 1091 CG ARG A 68 9.187 10.092 8.827 1.00 0.00 C ATOM 1092 CD ARG A 68 9.950 8.777 8.812 1.00 0.00 C ATOM 1093 NE ARG A 68 10.542 8.473 10.112 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.891 7.856 11.091 1.00 0.00 C ATOM 1095 NH1 ARG A 68 8.631 7.480 10.918 1.00 0.00 N ATOM 1096 NH2 ARG A 68 10.498 7.616 12.245 1.00 0.00 N ATOM 0 H ARG A 68 6.495 10.769 6.143 1.00 0.00 H new ATOM 0 HA ARG A 68 7.455 11.996 8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.800 9.598 7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.296 10.308 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.866 10.905 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.421 10.061 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.276 7.970 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.735 8.822 8.058 1.00 0.00 H new ATOM 0 HE ARG A 68 11.510 8.750 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.161 7.665 10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.132 7.006 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.466 7.905 12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.997 7.142 12.996 1.00 0.00 H new ATOM 1110 N ASP A 69 9.233 12.833 5.728 1.00 0.00 N ATOM 1111 CA ASP A 69 10.199 13.802 5.222 1.00 0.00 C ATOM 1112 C ASP A 69 9.669 15.226 5.369 1.00 0.00 C ATOM 1113 O ASP A 69 10.396 16.128 5.782 1.00 0.00 O ATOM 1114 CB ASP A 69 10.521 13.513 3.755 1.00 0.00 C ATOM 1115 CG ASP A 69 11.785 14.210 3.292 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.833 14.035 3.949 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.727 14.931 2.274 1.00 0.00 O ATOM 0 H ASP A 69 8.865 12.195 5.022 1.00 0.00 H new ATOM 0 HA ASP A 69 11.111 13.711 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.630 12.438 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.685 13.832 3.133 1.00 0.00 H new ATOM 1122 N SER A 70 8.400 15.416 5.027 1.00 0.00 N ATOM 1123 CA SER A 70 7.774 16.731 5.116 1.00 0.00 C ATOM 1124 C SER A 70 7.823 17.260 6.546 1.00 0.00 C ATOM 1125 O SER A 70 7.922 16.491 7.500 1.00 0.00 O ATOM 1126 CB SER A 70 6.322 16.662 4.635 1.00 0.00 C ATOM 1127 OG SER A 70 6.248 16.737 3.222 1.00 0.00 O ATOM 0 H SER A 70 7.785 14.678 4.686 1.00 0.00 H new ATOM 0 HA SER A 70 8.330 17.415 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.866 15.733 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.750 17.479 5.076 1.00 0.00 H new ATOM 0 HG SER A 70 5.311 16.689 2.941 1.00 0.00 H new ATOM 1133 N MET A 71 7.754 18.580 6.684 1.00 0.00 N ATOM 1134 CA MET A 71 7.789 19.214 7.997 1.00 0.00 C ATOM 1135 C MET A 71 6.914 20.462 8.022 1.00 0.00 C ATOM 1136 O MET A 71 6.658 21.072 6.984 1.00 0.00 O ATOM 1137 CB MET A 71 9.227 19.578 8.372 1.00 0.00 C ATOM 1138 CG MET A 71 9.363 20.149 9.774 1.00 0.00 C ATOM 1139 SD MET A 71 10.993 20.858 10.080 1.00 0.00 S ATOM 1140 CE MET A 71 10.552 22.519 10.585 1.00 0.00 C ATOM 0 H MET A 71 7.674 19.231 5.903 1.00 0.00 H new ATOM 0 HA MET A 71 7.399 18.504 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.852 18.689 8.288 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.608 20.304 7.654 1.00 0.00 H new ATOM 0 HG2 MET A 71 8.603 20.916 9.925 1.00 0.00 H new ATOM 0 HG3 MET A 71 9.171 19.362 10.503 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.444 23.044 10.927 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.118 23.053 9.740 1.00 0.00 H new ATOM 0 HE3 MET A 71 9.825 22.472 11.396 1.00 0.00 H new ATOM 1150 N GLU A 72 6.457 20.836 9.214 1.00 0.00 N ATOM 1151 CA GLU A 72 5.609 22.011 9.371 1.00 0.00 C ATOM 1152 C GLU A 72 6.431 23.294 9.270 1.00 0.00 C ATOM 1153 O GLU A 72 7.557 23.360 9.761 1.00 0.00 O ATOM 1154 CB GLU A 72 4.880 21.964 10.716 1.00 0.00 C ATOM 1155 CG GLU A 72 3.614 22.803 10.751 1.00 0.00 C ATOM 1156 CD GLU A 72 2.455 22.139 10.033 1.00 0.00 C ATOM 1157 OE1 GLU A 72 1.923 21.140 10.561 1.00 0.00 O ATOM 1158 OE2 GLU A 72 2.080 22.618 8.942 1.00 0.00 O ATOM 0 H GLU A 72 6.660 20.342 10.083 1.00 0.00 H new ATOM 0 HA GLU A 72 4.874 22.007 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.627 20.929 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.556 22.309 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.335 22.990 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.812 23.773 10.294 1.00 0.00 H new ATOM 1165 N GLN A 73 5.858 24.307 8.628 1.00 0.00 N ATOM 1166 CA GLN A 73 6.538 25.586 8.462 1.00 0.00 C ATOM 1167 C GLN A 73 7.153 26.052 9.776 1.00 0.00 C ATOM 1168 O GLN A 73 8.296 26.505 9.813 1.00 0.00 O ATOM 1169 CB GLN A 73 5.563 26.641 7.937 1.00 0.00 C ATOM 1170 CG GLN A 73 4.388 26.898 8.867 1.00 0.00 C ATOM 1171 CD GLN A 73 4.691 27.949 9.917 1.00 0.00 C ATOM 1172 OE1 GLN A 73 5.767 28.549 9.917 1.00 0.00 O ATOM 1173 NE2 GLN A 73 3.744 28.178 10.817 1.00 0.00 N ATOM 0 H GLN A 73 4.926 24.267 8.215 1.00 0.00 H new ATOM 0 HA GLN A 73 7.340 25.450 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.102 27.575 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.184 26.323 6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.527 27.216 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.110 25.967 9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.868 27.657 10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.892 28.875 11.547 1.00 0.00 H new ATOM 1182 N ALA A 74 6.384 25.939 10.855 1.00 0.00 N ATOM 1183 CA ALA A 74 6.855 26.347 12.174 1.00 0.00 C ATOM 1184 C ALA A 74 8.040 25.500 12.621 1.00 0.00 C ATOM 1185 O ALA A 74 7.904 24.301 12.866 1.00 0.00 O ATOM 1186 CB ALA A 74 5.725 26.254 13.189 1.00 0.00 C ATOM 0 H ALA A 74 5.434 25.569 10.842 1.00 0.00 H new ATOM 0 HA ALA A 74 7.187 27.383 12.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.090 26.561 14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.908 26.908 12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.367 25.226 13.241 1.00 0.00 H new ATOM 1192 N VAL A 75 9.207 26.130 12.724 1.00 0.00 N ATOM 1193 CA VAL A 75 10.418 25.434 13.143 1.00 0.00 C ATOM 1194 C VAL A 75 10.396 25.143 14.638 1.00 0.00 C ATOM 1195 O VAL A 75 9.902 25.946 15.430 1.00 0.00 O ATOM 1196 CB VAL A 75 11.679 26.252 12.808 1.00 0.00 C ATOM 1197 CG1 VAL A 75 11.643 27.601 13.511 1.00 0.00 C ATOM 1198 CG2 VAL A 75 12.932 25.477 13.187 1.00 0.00 C ATOM 0 H VAL A 75 9.339 27.121 12.523 1.00 0.00 H new ATOM 0 HA VAL A 75 10.448 24.493 12.594 1.00 0.00 H new ATOM 0 HB VAL A 75 11.701 26.430 11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.542 28.165 13.262 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.764 28.157 13.186 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.597 27.448 14.589 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.814 26.070 12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.920 25.267 14.256 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.961 24.539 12.633 1.00 0.00 H new ATOM 1208 N LEU A 76 10.935 23.990 15.019 1.00 0.00 N ATOM 1209 CA LEU A 76 10.977 23.591 16.422 1.00 0.00 C ATOM 1210 C LEU A 76 12.409 23.611 16.949 1.00 0.00 C ATOM 1211 O LEU A 76 13.345 23.222 16.248 1.00 0.00 O ATOM 1212 CB LEU A 76 10.377 22.196 16.595 1.00 0.00 C ATOM 1213 CG LEU A 76 10.235 21.699 18.034 1.00 0.00 C ATOM 1214 CD1 LEU A 76 9.050 20.757 18.159 1.00 0.00 C ATOM 1215 CD2 LEU A 76 11.516 21.016 18.491 1.00 0.00 C ATOM 0 H LEU A 76 11.349 23.315 14.376 1.00 0.00 H new ATOM 0 HA LEU A 76 10.387 24.306 16.996 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.391 22.186 16.130 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.996 21.486 16.046 1.00 0.00 H new ATOM 0 HG LEU A 76 10.057 22.559 18.680 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.965 20.414 19.190 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.137 21.281 17.875 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.196 19.900 17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.397 20.669 19.517 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.726 20.166 17.842 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.343 21.724 18.441 1.00 0.00 H new ATOM 1227 N ASP A 77 12.572 24.063 18.187 1.00 0.00 N ATOM 1228 CA ASP A 77 13.888 24.129 18.810 1.00 0.00 C ATOM 1229 C ASP A 77 14.029 23.070 19.899 1.00 0.00 C ATOM 1230 O ASP A 77 13.188 22.968 20.792 1.00 0.00 O ATOM 1231 CB ASP A 77 14.127 25.520 19.401 1.00 0.00 C ATOM 1232 CG ASP A 77 15.596 25.896 19.420 1.00 0.00 C ATOM 1233 OD1 ASP A 77 16.389 25.163 20.048 1.00 0.00 O ATOM 1234 OD2 ASP A 77 15.953 26.924 18.807 1.00 0.00 O ATOM 0 H ASP A 77 11.808 24.389 18.779 1.00 0.00 H new ATOM 0 HA ASP A 77 14.636 23.935 18.041 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.573 26.258 18.821 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.733 25.553 20.417 1.00 0.00 H new ATOM 1239 N SER A 78 15.098 22.283 19.818 1.00 0.00 N ATOM 1240 CA SER A 78 15.345 21.228 20.794 1.00 0.00 C ATOM 1241 C SER A 78 16.708 21.408 21.454 1.00 0.00 C ATOM 1242 O SER A 78 17.705 21.670 20.782 1.00 0.00 O ATOM 1243 CB SER A 78 15.267 19.855 20.122 1.00 0.00 C ATOM 1244 OG SER A 78 13.921 19.470 19.903 1.00 0.00 O ATOM 0 H SER A 78 15.806 22.356 19.087 1.00 0.00 H new ATOM 0 HA SER A 78 14.577 21.291 21.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.800 19.881 19.172 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.764 19.112 20.746 1.00 0.00 H new ATOM 0 HG SER A 78 13.898 18.591 19.471 1.00 0.00 H new ATOM 1250 N MET A 79 16.743 21.264 22.774 1.00 0.00 N ATOM 1251 CA MET A 79 17.984 21.408 23.525 1.00 0.00 C ATOM 1252 C MET A 79 18.830 20.142 23.430 1.00 0.00 C ATOM 1253 O MET A 79 18.307 19.052 23.200 1.00 0.00 O ATOM 1254 CB MET A 79 17.683 21.726 24.992 1.00 0.00 C ATOM 1255 CG MET A 79 17.118 20.544 25.766 1.00 0.00 C ATOM 1256 SD MET A 79 15.326 20.416 25.625 1.00 0.00 S ATOM 1257 CE MET A 79 14.804 21.684 26.778 1.00 0.00 C ATOM 0 H MET A 79 15.926 21.048 23.346 1.00 0.00 H new ATOM 0 HA MET A 79 18.548 22.233 23.089 1.00 0.00 H new ATOM 0 HB2 MET A 79 18.599 22.064 25.478 1.00 0.00 H new ATOM 0 HB3 MET A 79 16.974 22.553 25.038 1.00 0.00 H new ATOM 0 HG2 MET A 79 17.574 19.624 25.401 1.00 0.00 H new ATOM 0 HG3 MET A 79 17.390 20.639 26.817 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.140 21.247 27.524 1.00 0.00 H new ATOM 0 HE2 MET A 79 15.678 22.107 27.274 1.00 0.00 H new ATOM 0 HE3 MET A 79 14.276 22.471 26.239 1.00 0.00 H new ATOM 1267 N GLY A 80 20.139 20.295 23.608 1.00 0.00 N ATOM 1268 CA GLY A 80 21.034 19.155 23.537 1.00 0.00 C ATOM 1269 C GLY A 80 22.190 19.383 22.583 1.00 0.00 C ATOM 1270 O GLY A 80 23.092 20.170 22.869 1.00 0.00 O ATOM 0 H GLY A 80 20.595 21.187 23.800 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.425 18.942 24.532 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.473 18.276 23.220 1.00 0.00 H new ATOM 1274 N SER A 81 22.162 18.694 21.447 1.00 0.00 N ATOM 1275 CA SER A 81 23.218 18.821 20.450 1.00 0.00 C ATOM 1276 C SER A 81 24.565 18.395 21.027 1.00 0.00 C ATOM 1277 O SER A 81 25.582 19.053 20.813 1.00 0.00 O ATOM 1278 CB SER A 81 23.300 20.264 19.946 1.00 0.00 C ATOM 1279 OG SER A 81 24.229 20.379 18.882 1.00 0.00 O ATOM 0 H SER A 81 21.419 18.042 21.194 1.00 0.00 H new ATOM 0 HA SER A 81 22.976 18.164 19.615 1.00 0.00 H new ATOM 0 HB2 SER A 81 22.316 20.592 19.611 1.00 0.00 H new ATOM 0 HB3 SER A 81 23.595 20.922 20.763 1.00 0.00 H new ATOM 0 HG SER A 81 25.114 20.090 19.188 1.00 0.00 H new ATOM 1285 N GLY A 82 24.563 17.286 21.761 1.00 0.00 N ATOM 1286 CA GLY A 82 25.788 16.788 22.358 1.00 0.00 C ATOM 1287 C GLY A 82 25.955 15.293 22.179 1.00 0.00 C ATOM 1288 O GLY A 82 25.852 14.530 23.139 1.00 0.00 O ATOM 0 H GLY A 82 23.734 16.724 21.953 1.00 0.00 H new ATOM 0 HA2 GLY A 82 26.640 17.301 21.913 1.00 0.00 H new ATOM 0 HA3 GLY A 82 25.793 17.026 23.422 1.00 0.00 H new ATOM 1292 N LYS A 83 26.212 14.871 20.947 1.00 0.00 N ATOM 1293 CA LYS A 83 26.393 13.456 20.643 1.00 0.00 C ATOM 1294 C LYS A 83 27.848 13.158 20.293 1.00 0.00 C ATOM 1295 O LYS A 83 28.665 14.068 20.166 1.00 0.00 O ATOM 1296 CB LYS A 83 25.483 13.042 19.484 1.00 0.00 C ATOM 1297 CG LYS A 83 25.745 13.810 18.200 1.00 0.00 C ATOM 1298 CD LYS A 83 24.735 13.453 17.122 1.00 0.00 C ATOM 1299 CE LYS A 83 23.375 14.071 17.406 1.00 0.00 C ATOM 1300 NZ LYS A 83 22.529 13.189 18.255 1.00 0.00 N ATOM 0 H LYS A 83 26.300 15.489 20.141 1.00 0.00 H new ATOM 0 HA LYS A 83 26.125 12.881 21.530 1.00 0.00 H new ATOM 0 HB2 LYS A 83 25.614 11.977 19.293 1.00 0.00 H new ATOM 0 HB3 LYS A 83 24.444 13.188 19.779 1.00 0.00 H new ATOM 0 HG2 LYS A 83 25.702 14.881 18.400 1.00 0.00 H new ATOM 0 HG3 LYS A 83 26.752 13.592 17.843 1.00 0.00 H new ATOM 0 HD2 LYS A 83 25.098 13.798 16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 83 24.637 12.369 17.058 1.00 0.00 H new ATOM 0 HE2 LYS A 83 23.510 15.032 17.903 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.862 14.268 16.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.643 12.973 17.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.039 12.305 18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.313 13.672 19.150 1.00 0.00 H new ATOM 1314 N SER A 84 28.162 11.875 20.137 1.00 0.00 N ATOM 1315 CA SER A 84 29.519 11.456 19.804 1.00 0.00 C ATOM 1316 C SER A 84 29.504 10.375 18.728 1.00 0.00 C ATOM 1317 O SER A 84 28.929 9.304 18.915 1.00 0.00 O ATOM 1318 CB SER A 84 30.236 10.938 21.052 1.00 0.00 C ATOM 1319 OG SER A 84 31.639 10.904 20.857 1.00 0.00 O ATOM 0 H SER A 84 27.496 11.109 20.236 1.00 0.00 H new ATOM 0 HA SER A 84 30.056 12.322 19.418 1.00 0.00 H new ATOM 0 HB2 SER A 84 29.999 11.577 21.903 1.00 0.00 H new ATOM 0 HB3 SER A 84 29.875 9.938 21.294 1.00 0.00 H new ATOM 0 HG SER A 84 32.074 10.571 21.669 1.00 0.00 H new ATOM 1325 N GLY A 85 30.142 10.666 17.597 1.00 0.00 N ATOM 1326 CA GLY A 85 30.190 9.711 16.506 1.00 0.00 C ATOM 1327 C GLY A 85 31.575 9.126 16.308 1.00 0.00 C ATOM 1328 O GLY A 85 32.363 9.012 17.248 1.00 0.00 O ATOM 0 H GLY A 85 30.626 11.546 17.418 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.483 8.905 16.702 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.870 10.199 15.585 1.00 0.00 H new ATOM 1332 N PRO A 86 31.888 8.745 15.061 1.00 0.00 N ATOM 1333 CA PRO A 86 33.187 8.162 14.715 1.00 0.00 C ATOM 1334 C PRO A 86 34.319 9.180 14.791 1.00 0.00 C ATOM 1335 O PRO A 86 34.661 9.818 13.795 1.00 0.00 O ATOM 1336 CB PRO A 86 32.991 7.688 13.273 1.00 0.00 C ATOM 1337 CG PRO A 86 31.907 8.556 12.733 1.00 0.00 C ATOM 1338 CD PRO A 86 30.998 8.852 13.894 1.00 0.00 C ATOM 0 HA PRO A 86 33.473 7.368 15.404 1.00 0.00 H new ATOM 0 HB2 PRO A 86 33.908 7.793 12.694 1.00 0.00 H new ATOM 0 HB3 PRO A 86 32.710 6.635 13.237 1.00 0.00 H new ATOM 0 HG2 PRO A 86 32.316 9.475 12.313 1.00 0.00 H new ATOM 0 HG3 PRO A 86 31.366 8.052 11.932 1.00 0.00 H new ATOM 0 HD2 PRO A 86 30.557 9.845 13.815 1.00 0.00 H new ATOM 0 HD3 PRO A 86 30.174 8.141 13.951 1.00 0.00 H new ATOM 1346 N SER A 87 34.897 9.328 15.979 1.00 0.00 N ATOM 1347 CA SER A 87 35.988 10.273 16.186 1.00 0.00 C ATOM 1348 C SER A 87 37.221 9.863 15.385 1.00 0.00 C ATOM 1349 O SER A 87 37.828 8.825 15.649 1.00 0.00 O ATOM 1350 CB SER A 87 36.339 10.363 17.672 1.00 0.00 C ATOM 1351 OG SER A 87 36.624 9.083 18.208 1.00 0.00 O ATOM 0 H SER A 87 34.628 8.806 16.813 1.00 0.00 H new ATOM 0 HA SER A 87 35.658 11.252 15.838 1.00 0.00 H new ATOM 0 HB2 SER A 87 37.201 11.017 17.806 1.00 0.00 H new ATOM 0 HB3 SER A 87 35.510 10.813 18.218 1.00 0.00 H new ATOM 0 HG SER A 87 37.091 8.543 17.536 1.00 0.00 H new ATOM 1357 N SER A 88 37.585 10.685 14.406 1.00 0.00 N ATOM 1358 CA SER A 88 38.741 10.407 13.565 1.00 0.00 C ATOM 1359 C SER A 88 40.040 10.609 14.340 1.00 0.00 C ATOM 1360 O SER A 88 40.918 9.747 14.340 1.00 0.00 O ATOM 1361 CB SER A 88 38.727 11.309 12.329 1.00 0.00 C ATOM 1362 OG SER A 88 39.945 11.209 11.611 1.00 0.00 O ATOM 0 H SER A 88 37.095 11.550 14.176 1.00 0.00 H new ATOM 0 HA SER A 88 38.686 9.365 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 88 37.896 11.031 11.681 1.00 0.00 H new ATOM 0 HB3 SER A 88 38.563 12.343 12.632 1.00 0.00 H new ATOM 0 HG SER A 88 39.910 11.793 10.825 1.00 0.00 H new ATOM 1368 N GLY A 89 40.153 11.756 15.004 1.00 0.00 N ATOM 1369 CA GLY A 89 41.346 12.053 15.776 1.00 0.00 C ATOM 1370 C GLY A 89 42.360 12.857 14.989 1.00 0.00 C ATOM 1371 O GLY A 89 42.733 12.480 13.876 1.00 0.00 O ATOM 0 H GLY A 89 39.440 12.485 15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 89 41.066 12.605 16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 89 41.803 11.120 16.106 1.00 0.00 H new TER 1375 GLY A 89