USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.885 (180deg=0.158) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 45:sc= -0.242 USER MOD Single : A 9 CYS SG : rot 160:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 66:sc= -0.11 USER MOD Single : A 13 TYR OH : rot -102:sc= 0.0516 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 32 GLN : amide:sc= -0.957 X(o=-0.96,f=-1.4) USER MOD Single : A 38 CYS SG : rot 44:sc= 0.0572 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.889 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= -0.422 (180deg=-2.01!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.599 -0.634 1.506 1.00 0.00 N ATOM 2 CA MET A 1 2.060 -0.778 0.130 1.00 0.00 C ATOM 3 C MET A 1 3.277 -1.694 0.057 1.00 0.00 C ATOM 4 O MET A 1 3.981 -1.889 1.048 1.00 0.00 O ATOM 5 CB MET A 1 2.400 0.591 -0.462 1.00 0.00 C ATOM 6 CG MET A 1 1.188 1.486 -0.661 1.00 0.00 C ATOM 7 SD MET A 1 0.790 2.452 0.809 1.00 0.00 S ATOM 8 CE MET A 1 0.798 4.112 0.136 1.00 0.00 C ATOM 0 H1 MET A 1 1.270 0.340 1.662 1.00 0.00 H new ATOM 0 H2 MET A 1 0.816 -1.296 1.681 1.00 0.00 H new ATOM 0 H3 MET A 1 2.382 -0.843 2.158 1.00 0.00 H new ATOM 0 HA MET A 1 1.255 -1.227 -0.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.110 1.095 0.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.898 0.449 -1.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.373 2.162 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.329 0.873 -0.932 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.568 4.826 0.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.782 4.332 -0.277 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.049 4.189 -0.652 1.00 0.00 H new ATOM 18 N THR A 2 3.520 -2.255 -1.124 1.00 0.00 N ATOM 19 CA THR A 2 4.652 -3.152 -1.326 1.00 0.00 C ATOM 20 C THR A 2 5.880 -2.387 -1.804 1.00 0.00 C ATOM 21 O THR A 2 5.768 -1.429 -2.568 1.00 0.00 O ATOM 22 CB THR A 2 4.318 -4.256 -2.346 1.00 0.00 C ATOM 23 OG1 THR A 2 3.233 -5.057 -1.865 1.00 0.00 O ATOM 24 CG2 THR A 2 5.531 -5.137 -2.605 1.00 0.00 C ATOM 0 H THR A 2 2.948 -2.104 -1.955 1.00 0.00 H new ATOM 0 HA THR A 2 4.867 -3.613 -0.362 1.00 0.00 H new ATOM 0 HB THR A 2 4.028 -3.779 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.026 -5.755 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.272 -5.910 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.345 -4.529 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.847 -5.605 -1.672 1.00 0.00 H new ATOM 32 N ALA A 3 7.053 -2.817 -1.350 1.00 0.00 N ATOM 33 CA ALA A 3 8.304 -2.174 -1.735 1.00 0.00 C ATOM 34 C ALA A 3 9.475 -3.145 -1.629 1.00 0.00 C ATOM 35 O ALA A 3 9.815 -3.606 -0.539 1.00 0.00 O ATOM 36 CB ALA A 3 8.553 -0.947 -0.871 1.00 0.00 C ATOM 0 H ALA A 3 7.163 -3.608 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 3 8.219 -1.861 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.490 -0.476 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.734 -0.239 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.613 -1.245 0.176 1.00 0.00 H new ATOM 42 N TYR A 4 10.088 -3.451 -2.767 1.00 0.00 N ATOM 43 CA TYR A 4 11.220 -4.370 -2.802 1.00 0.00 C ATOM 44 C TYR A 4 12.507 -3.634 -3.161 1.00 0.00 C ATOM 45 O TYR A 4 12.608 -3.016 -4.221 1.00 0.00 O ATOM 46 CB TYR A 4 10.962 -5.491 -3.810 1.00 0.00 C ATOM 47 CG TYR A 4 10.004 -6.548 -3.308 1.00 0.00 C ATOM 48 CD1 TYR A 4 10.459 -7.627 -2.560 1.00 0.00 C ATOM 49 CD2 TYR A 4 8.644 -6.468 -3.583 1.00 0.00 C ATOM 50 CE1 TYR A 4 9.588 -8.595 -2.100 1.00 0.00 C ATOM 51 CE2 TYR A 4 7.766 -7.431 -3.126 1.00 0.00 C ATOM 52 CZ TYR A 4 8.242 -8.492 -2.385 1.00 0.00 C ATOM 53 OH TYR A 4 7.370 -9.454 -1.929 1.00 0.00 O ATOM 0 H TYR A 4 9.820 -3.076 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 4 11.335 -4.803 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.564 -5.058 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.910 -5.964 -4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.512 -7.710 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.268 -5.639 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.958 -9.428 -1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.712 -7.354 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 4 6.459 -9.232 -2.215 1.00 0.00 H new ATOM 63 N ARG A 5 13.490 -3.706 -2.269 1.00 0.00 N ATOM 64 CA ARG A 5 14.772 -3.047 -2.490 1.00 0.00 C ATOM 65 C ARG A 5 15.928 -4.020 -2.272 1.00 0.00 C ATOM 66 O ARG A 5 16.122 -4.530 -1.168 1.00 0.00 O ATOM 67 CB ARG A 5 14.919 -1.845 -1.556 1.00 0.00 C ATOM 68 CG ARG A 5 16.325 -1.268 -1.524 1.00 0.00 C ATOM 69 CD ARG A 5 16.303 0.253 -1.548 1.00 0.00 C ATOM 70 NE ARG A 5 16.520 0.825 -0.222 1.00 0.00 N ATOM 71 CZ ARG A 5 16.362 2.114 0.057 1.00 0.00 C ATOM 72 NH1 ARG A 5 15.987 2.960 -0.892 1.00 0.00 N ATOM 73 NH2 ARG A 5 16.578 2.558 1.289 1.00 0.00 N ATOM 0 H ARG A 5 13.423 -4.214 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 5 14.801 -2.701 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.223 -1.066 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.634 -2.143 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.840 -1.612 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.891 -1.638 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.072 0.616 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.344 0.595 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 5 16.809 0.201 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.819 2.622 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.866 3.949 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.865 1.909 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.457 3.548 1.503 1.00 0.00 H new ATOM 87 N CYS A 6 16.690 -4.271 -3.330 1.00 0.00 N ATOM 88 CA CYS A 6 17.826 -5.183 -3.255 1.00 0.00 C ATOM 89 C CYS A 6 18.879 -4.827 -4.299 1.00 0.00 C ATOM 90 O CYS A 6 18.891 -5.358 -5.410 1.00 0.00 O ATOM 91 CB CYS A 6 17.362 -6.627 -3.452 1.00 0.00 C ATOM 92 SG CYS A 6 17.501 -7.656 -1.972 1.00 0.00 S ATOM 0 H CYS A 6 16.542 -3.856 -4.250 1.00 0.00 H new ATOM 0 HA CYS A 6 18.274 -5.085 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.323 -6.622 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.948 -7.079 -4.252 1.00 0.00 H new ATOM 0 HG CYS A 6 17.058 -6.997 -0.942 1.00 0.00 H new ATOM 98 N PRO A 7 19.785 -3.907 -3.937 1.00 0.00 N ATOM 99 CA PRO A 7 20.858 -3.458 -4.829 1.00 0.00 C ATOM 100 C PRO A 7 21.907 -4.540 -5.063 1.00 0.00 C ATOM 101 O PRO A 7 22.671 -4.480 -6.026 1.00 0.00 O ATOM 102 CB PRO A 7 21.471 -2.273 -4.078 1.00 0.00 C ATOM 103 CG PRO A 7 21.161 -2.531 -2.644 1.00 0.00 C ATOM 104 CD PRO A 7 19.831 -3.233 -2.628 1.00 0.00 C ATOM 0 HA PRO A 7 20.484 -3.204 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.546 -2.212 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.042 -1.328 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.933 -3.147 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.117 -1.599 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.763 -3.946 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.007 -2.530 -2.509 1.00 0.00 H new ATOM 112 N VAL A 8 21.939 -5.530 -4.176 1.00 0.00 N ATOM 113 CA VAL A 8 22.893 -6.626 -4.287 1.00 0.00 C ATOM 114 C VAL A 8 22.701 -7.392 -5.591 1.00 0.00 C ATOM 115 O VAL A 8 23.597 -8.106 -6.041 1.00 0.00 O ATOM 116 CB VAL A 8 22.762 -7.606 -3.105 1.00 0.00 C ATOM 117 CG1 VAL A 8 23.805 -8.709 -3.208 1.00 0.00 C ATOM 118 CG2 VAL A 8 22.887 -6.865 -1.783 1.00 0.00 C ATOM 0 H VAL A 8 21.314 -5.595 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 8 23.888 -6.182 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 8 21.775 -8.067 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.697 -9.391 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.664 -9.258 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 8 24.802 -8.269 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 8 22.792 -7.572 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.859 -6.375 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.099 -6.115 -1.710 1.00 0.00 H new ATOM 128 N CYS A 9 21.527 -7.237 -6.194 1.00 0.00 N ATOM 129 CA CYS A 9 21.217 -7.914 -7.448 1.00 0.00 C ATOM 130 C CYS A 9 20.957 -6.905 -8.561 1.00 0.00 C ATOM 131 O CYS A 9 21.622 -6.923 -9.597 1.00 0.00 O ATOM 132 CB CYS A 9 20.000 -8.823 -7.273 1.00 0.00 C ATOM 133 SG CYS A 9 19.780 -9.447 -5.590 1.00 0.00 S ATOM 0 H CYS A 9 20.775 -6.649 -5.835 1.00 0.00 H new ATOM 0 HA CYS A 9 22.078 -8.521 -7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.105 -8.274 -7.565 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.091 -9.669 -7.954 1.00 0.00 H new ATOM 0 HG CYS A 9 18.549 -9.833 -5.428 1.00 0.00 H new ATOM 139 N ASP A 10 19.985 -6.026 -8.341 1.00 0.00 N ATOM 140 CA ASP A 10 19.636 -5.009 -9.326 1.00 0.00 C ATOM 141 C ASP A 10 19.008 -3.793 -8.652 1.00 0.00 C ATOM 142 O ASP A 10 18.545 -3.872 -7.514 1.00 0.00 O ATOM 143 CB ASP A 10 18.674 -5.585 -10.366 1.00 0.00 C ATOM 144 CG ASP A 10 17.312 -5.902 -9.782 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.463 -4.987 -9.727 1.00 0.00 O ATOM 146 OD2 ASP A 10 17.094 -7.064 -9.379 1.00 0.00 O ATOM 0 H ASP A 10 19.425 -5.997 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 10 20.552 -4.693 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.559 -4.873 -11.184 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.104 -6.492 -10.791 1.00 0.00 H new ATOM 151 N TYR A 11 18.998 -2.670 -9.361 1.00 0.00 N ATOM 152 CA TYR A 11 18.430 -1.436 -8.830 1.00 0.00 C ATOM 153 C TYR A 11 17.064 -1.691 -8.201 1.00 0.00 C ATOM 154 O TYR A 11 16.388 -2.668 -8.529 1.00 0.00 O ATOM 155 CB TYR A 11 18.307 -0.389 -9.938 1.00 0.00 C ATOM 156 CG TYR A 11 19.535 0.480 -10.090 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.772 -0.078 -10.387 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.458 1.859 -9.937 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.897 0.712 -10.526 1.00 0.00 C ATOM 160 CE2 TYR A 11 20.577 2.656 -10.076 1.00 0.00 C ATOM 161 CZ TYR A 11 21.794 2.078 -10.370 1.00 0.00 C ATOM 162 OH TYR A 11 22.912 2.868 -10.509 1.00 0.00 O ATOM 0 H TYR A 11 19.377 -2.588 -10.305 1.00 0.00 H new ATOM 0 HA TYR A 11 19.100 -1.060 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.111 -0.894 -10.884 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.446 0.247 -9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.856 -1.148 -10.511 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.507 2.315 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.852 0.262 -10.756 1.00 0.00 H new ATOM 0 HE2 TYR A 11 20.499 3.726 -9.955 1.00 0.00 H new ATOM 0 HH TYR A 11 22.668 3.807 -10.369 1.00 0.00 H new ATOM 172 N THR A 12 16.662 -0.806 -7.295 1.00 0.00 N ATOM 173 CA THR A 12 15.377 -0.933 -6.619 1.00 0.00 C ATOM 174 C THR A 12 14.388 0.115 -7.115 1.00 0.00 C ATOM 175 O THR A 12 14.757 1.264 -7.362 1.00 0.00 O ATOM 176 CB THR A 12 15.529 -0.797 -5.093 1.00 0.00 C ATOM 177 OG1 THR A 12 14.240 -0.698 -4.478 1.00 0.00 O ATOM 178 CG2 THR A 12 16.360 0.427 -4.739 1.00 0.00 C ATOM 0 H THR A 12 17.208 0.007 -7.012 1.00 0.00 H new ATOM 0 HA THR A 12 14.995 -1.927 -6.852 1.00 0.00 H new ATOM 0 HB THR A 12 16.041 -1.685 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.755 -1.541 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.454 0.502 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.351 0.335 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.872 1.322 -5.124 1.00 0.00 H new ATOM 186 N TYR A 13 13.130 -0.286 -7.259 1.00 0.00 N ATOM 187 CA TYR A 13 12.087 0.619 -7.728 1.00 0.00 C ATOM 188 C TYR A 13 10.738 0.262 -7.112 1.00 0.00 C ATOM 189 O TYR A 13 10.110 -0.725 -7.496 1.00 0.00 O ATOM 190 CB TYR A 13 11.992 0.574 -9.254 1.00 0.00 C ATOM 191 CG TYR A 13 12.105 -0.820 -9.827 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.347 -1.388 -10.085 1.00 0.00 C ATOM 193 CD2 TYR A 13 10.970 -1.570 -10.112 1.00 0.00 C ATOM 194 CE1 TYR A 13 13.455 -2.662 -10.609 1.00 0.00 C ATOM 195 CE2 TYR A 13 11.069 -2.845 -10.635 1.00 0.00 C ATOM 196 CZ TYR A 13 12.313 -3.386 -10.882 1.00 0.00 C ATOM 197 OH TYR A 13 12.416 -4.655 -11.404 1.00 0.00 O ATOM 0 H TYR A 13 12.807 -1.232 -7.058 1.00 0.00 H new ATOM 0 HA TYR A 13 12.351 1.630 -7.417 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.042 1.009 -9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.780 1.197 -9.677 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.243 -0.824 -9.872 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.994 -1.149 -9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.428 -3.088 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.177 -3.415 -10.849 1.00 0.00 H new ATOM 0 HH TYR A 13 12.233 -4.629 -12.366 1.00 0.00 H new ATOM 207 N ASP A 14 10.299 1.072 -6.156 1.00 0.00 N ATOM 208 CA ASP A 14 9.023 0.844 -5.487 1.00 0.00 C ATOM 209 C ASP A 14 7.857 1.122 -6.430 1.00 0.00 C ATOM 210 O ASP A 14 7.941 1.993 -7.295 1.00 0.00 O ATOM 211 CB ASP A 14 8.910 1.727 -4.243 1.00 0.00 C ATOM 212 CG ASP A 14 7.502 1.760 -3.682 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.085 0.756 -3.067 1.00 0.00 O ATOM 214 OD2 ASP A 14 6.818 2.790 -3.857 1.00 0.00 O ATOM 0 H ASP A 14 10.807 1.893 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 14 8.981 -0.203 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.594 1.361 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.223 2.741 -4.491 1.00 0.00 H new ATOM 219 N GLU A 15 6.771 0.375 -6.258 1.00 0.00 N ATOM 220 CA GLU A 15 5.589 0.541 -7.096 1.00 0.00 C ATOM 221 C GLU A 15 5.098 1.985 -7.064 1.00 0.00 C ATOM 222 O GLU A 15 4.859 2.594 -8.106 1.00 0.00 O ATOM 223 CB GLU A 15 4.474 -0.399 -6.634 1.00 0.00 C ATOM 224 CG GLU A 15 4.034 -1.391 -7.699 1.00 0.00 C ATOM 225 CD GLU A 15 2.756 -0.968 -8.397 1.00 0.00 C ATOM 226 OE1 GLU A 15 1.666 -1.210 -7.838 1.00 0.00 O ATOM 227 OE2 GLU A 15 2.847 -0.395 -9.503 1.00 0.00 O ATOM 0 H GLU A 15 6.685 -0.351 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 15 5.863 0.292 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.814 -0.948 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.614 0.195 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.828 -1.501 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.887 -2.369 -7.241 1.00 0.00 H new ATOM 234 N GLY A 16 4.949 2.527 -5.859 1.00 0.00 N ATOM 235 CA GLY A 16 4.487 3.895 -5.713 1.00 0.00 C ATOM 236 C GLY A 16 5.518 4.908 -6.168 1.00 0.00 C ATOM 237 O GLY A 16 5.170 5.975 -6.675 1.00 0.00 O ATOM 0 H GLY A 16 5.140 2.043 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.572 4.029 -6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.236 4.081 -4.669 1.00 0.00 H new ATOM 241 N LYS A 17 6.792 4.575 -5.987 1.00 0.00 N ATOM 242 CA LYS A 17 7.878 5.463 -6.382 1.00 0.00 C ATOM 243 C LYS A 17 7.845 5.729 -7.884 1.00 0.00 C ATOM 244 O LYS A 17 8.213 6.810 -8.341 1.00 0.00 O ATOM 245 CB LYS A 17 9.228 4.857 -5.991 1.00 0.00 C ATOM 246 CG LYS A 17 10.415 5.737 -6.342 1.00 0.00 C ATOM 247 CD LYS A 17 10.860 6.573 -5.153 1.00 0.00 C ATOM 248 CE LYS A 17 12.145 7.330 -5.454 1.00 0.00 C ATOM 249 NZ LYS A 17 11.912 8.469 -6.385 1.00 0.00 N ATOM 0 H LYS A 17 7.097 3.696 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 17 7.747 6.411 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.233 4.665 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.342 3.893 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.243 5.114 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.150 6.393 -7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.073 7.280 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.011 5.927 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.573 7.703 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.875 6.648 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.811 8.959 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.527 8.111 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.235 9.133 -5.958 1.00 0.00 H new ATOM 263 N GLY A 18 7.401 4.734 -8.647 1.00 0.00 N ATOM 264 CA GLY A 18 7.326 4.882 -10.089 1.00 0.00 C ATOM 265 C GLY A 18 8.687 5.097 -10.720 1.00 0.00 C ATOM 266 O GLY A 18 9.204 6.214 -10.732 1.00 0.00 O ATOM 0 H GLY A 18 7.092 3.829 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.866 3.993 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.679 5.725 -10.332 1.00 0.00 H new ATOM 270 N ASP A 19 9.270 4.025 -11.246 1.00 0.00 N ATOM 271 CA ASP A 19 10.580 4.102 -11.882 1.00 0.00 C ATOM 272 C ASP A 19 10.494 3.708 -13.353 1.00 0.00 C ATOM 273 O ASP A 19 10.879 2.609 -13.751 1.00 0.00 O ATOM 274 CB ASP A 19 11.577 3.196 -11.156 1.00 0.00 C ATOM 275 CG ASP A 19 11.818 3.631 -9.724 1.00 0.00 C ATOM 276 OD1 ASP A 19 10.914 3.438 -8.885 1.00 0.00 O ATOM 277 OD2 ASP A 19 12.912 4.163 -9.443 1.00 0.00 O ATOM 0 H ASP A 19 8.856 3.093 -11.244 1.00 0.00 H new ATOM 0 HA ASP A 19 10.926 5.134 -11.820 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.205 2.172 -11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.523 3.195 -11.697 1.00 0.00 H new ATOM 282 N PRO A 20 9.975 4.626 -14.182 1.00 0.00 N ATOM 283 CA PRO A 20 9.825 4.398 -15.622 1.00 0.00 C ATOM 284 C PRO A 20 11.167 4.360 -16.346 1.00 0.00 C ATOM 285 O PRO A 20 11.235 4.026 -17.529 1.00 0.00 O ATOM 286 CB PRO A 20 9.000 5.600 -16.088 1.00 0.00 C ATOM 287 CG PRO A 20 9.285 6.666 -15.087 1.00 0.00 C ATOM 288 CD PRO A 20 9.495 5.958 -13.777 1.00 0.00 C ATOM 0 HA PRO A 20 9.360 3.436 -15.836 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.288 5.912 -17.092 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.937 5.362 -16.121 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.169 7.238 -15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.456 7.371 -15.021 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.224 6.475 -13.153 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.571 5.895 -13.202 1.00 0.00 H new ATOM 296 N ARG A 21 12.231 4.704 -15.628 1.00 0.00 N ATOM 297 CA ARG A 21 13.571 4.711 -16.202 1.00 0.00 C ATOM 298 C ARG A 21 14.072 3.287 -16.428 1.00 0.00 C ATOM 299 O ARG A 21 14.860 3.034 -17.339 1.00 0.00 O ATOM 300 CB ARG A 21 14.538 5.464 -15.287 1.00 0.00 C ATOM 301 CG ARG A 21 14.949 4.676 -14.054 1.00 0.00 C ATOM 302 CD ARG A 21 15.299 5.596 -12.896 1.00 0.00 C ATOM 303 NE ARG A 21 16.639 5.337 -12.377 1.00 0.00 N ATOM 304 CZ ARG A 21 17.753 5.676 -13.015 1.00 0.00 C ATOM 305 NH1 ARG A 21 17.688 6.286 -14.191 1.00 0.00 N ATOM 306 NH2 ARG A 21 18.936 5.407 -12.478 1.00 0.00 N ATOM 0 H ARG A 21 12.191 4.982 -14.647 1.00 0.00 H new ATOM 0 HA ARG A 21 13.524 5.219 -17.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.431 5.727 -15.854 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.074 6.399 -14.972 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.138 4.011 -13.759 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.807 4.047 -14.292 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.232 6.633 -13.224 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.569 5.466 -12.097 1.00 0.00 H new ATOM 0 HE ARG A 21 16.724 4.870 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.781 6.496 -14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.545 6.545 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.991 4.939 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.791 5.668 -12.970 1.00 0.00 H new ATOM 320 N GLU A 22 13.610 2.363 -15.592 1.00 0.00 N ATOM 321 CA GLU A 22 14.013 0.966 -15.701 1.00 0.00 C ATOM 322 C GLU A 22 12.994 0.167 -16.509 1.00 0.00 C ATOM 323 O GLU A 22 12.885 -1.050 -16.362 1.00 0.00 O ATOM 324 CB GLU A 22 14.173 0.348 -14.310 1.00 0.00 C ATOM 325 CG GLU A 22 15.545 0.575 -13.698 1.00 0.00 C ATOM 326 CD GLU A 22 15.630 1.873 -12.919 1.00 0.00 C ATOM 327 OE1 GLU A 22 14.603 2.285 -12.340 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.722 2.477 -12.889 1.00 0.00 O ATOM 0 H GLU A 22 12.957 2.556 -14.833 1.00 0.00 H new ATOM 0 HA GLU A 22 14.971 0.931 -16.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.415 0.765 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.986 -0.724 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.786 -0.257 -13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.295 0.581 -14.489 1.00 0.00 H new ATOM 335 N GLY A 23 12.250 0.862 -17.365 1.00 0.00 N ATOM 336 CA GLY A 23 11.250 0.202 -18.184 1.00 0.00 C ATOM 337 C GLY A 23 10.031 -0.215 -17.386 1.00 0.00 C ATOM 338 O GLY A 23 9.256 -1.067 -17.822 1.00 0.00 O ATOM 0 H GLY A 23 12.322 1.870 -17.506 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.943 0.872 -18.987 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.692 -0.677 -18.653 1.00 0.00 H new ATOM 342 N PHE A 24 9.859 0.386 -16.213 1.00 0.00 N ATOM 343 CA PHE A 24 8.726 0.071 -15.351 1.00 0.00 C ATOM 344 C PHE A 24 8.112 1.342 -14.773 1.00 0.00 C ATOM 345 O PHE A 24 8.424 1.761 -13.658 1.00 0.00 O ATOM 346 CB PHE A 24 9.164 -0.859 -14.218 1.00 0.00 C ATOM 347 CG PHE A 24 9.788 -2.138 -14.698 1.00 0.00 C ATOM 348 CD1 PHE A 24 9.096 -2.985 -15.549 1.00 0.00 C ATOM 349 CD2 PHE A 24 11.067 -2.493 -14.300 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.668 -4.162 -15.992 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.644 -3.669 -14.741 1.00 0.00 C ATOM 352 CZ PHE A 24 10.943 -4.504 -15.589 1.00 0.00 C ATOM 0 H PHE A 24 10.490 1.094 -15.838 1.00 0.00 H new ATOM 0 HA PHE A 24 7.971 -0.433 -15.954 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.876 -0.333 -13.582 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.299 -1.096 -13.599 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.099 -2.722 -15.869 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.619 -1.843 -13.637 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.118 -4.814 -16.654 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.641 -3.935 -14.423 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.392 -5.423 -15.936 1.00 0.00 H new ATOM 362 N PRO A 25 7.217 1.973 -15.548 1.00 0.00 N ATOM 363 CA PRO A 25 6.541 3.205 -15.134 1.00 0.00 C ATOM 364 C PRO A 25 5.542 2.968 -14.006 1.00 0.00 C ATOM 365 O PRO A 25 5.320 1.832 -13.591 1.00 0.00 O ATOM 366 CB PRO A 25 5.815 3.655 -16.405 1.00 0.00 C ATOM 367 CG PRO A 25 5.611 2.404 -17.187 1.00 0.00 C ATOM 368 CD PRO A 25 6.797 1.530 -16.888 1.00 0.00 C ATOM 0 HA PRO A 25 7.242 3.942 -14.742 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.865 4.134 -16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.407 4.379 -16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.682 1.912 -16.900 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.543 2.617 -18.254 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.530 0.473 -16.897 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.591 1.664 -17.623 1.00 0.00 H new ATOM 376 N ALA A 26 4.943 4.048 -13.516 1.00 0.00 N ATOM 377 CA ALA A 26 3.967 3.957 -12.437 1.00 0.00 C ATOM 378 C ALA A 26 2.883 2.934 -12.763 1.00 0.00 C ATOM 379 O ALA A 26 2.242 3.007 -13.810 1.00 0.00 O ATOM 380 CB ALA A 26 3.345 5.320 -12.171 1.00 0.00 C ATOM 0 H ALA A 26 5.116 4.996 -13.849 1.00 0.00 H new ATOM 0 HA ALA A 26 4.486 3.625 -11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.618 5.237 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.125 6.026 -11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.846 5.674 -13.073 1.00 0.00 H new ATOM 386 N GLY A 27 2.686 1.980 -11.859 1.00 0.00 N ATOM 387 CA GLY A 27 1.680 0.955 -12.069 1.00 0.00 C ATOM 388 C GLY A 27 2.285 -0.423 -12.251 1.00 0.00 C ATOM 389 O GLY A 27 1.643 -1.434 -11.965 1.00 0.00 O ATOM 0 H GLY A 27 3.205 1.898 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.998 0.940 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.087 1.207 -12.948 1.00 0.00 H new ATOM 393 N THR A 28 3.524 -0.465 -12.729 1.00 0.00 N ATOM 394 CA THR A 28 4.216 -1.729 -12.952 1.00 0.00 C ATOM 395 C THR A 28 4.211 -2.587 -11.692 1.00 0.00 C ATOM 396 O THR A 28 4.650 -2.148 -10.629 1.00 0.00 O ATOM 397 CB THR A 28 5.672 -1.501 -13.399 1.00 0.00 C ATOM 398 OG1 THR A 28 5.709 -0.595 -14.507 1.00 0.00 O ATOM 399 CG2 THR A 28 6.329 -2.816 -13.791 1.00 0.00 C ATOM 0 H THR A 28 4.070 0.362 -12.970 1.00 0.00 H new ATOM 0 HA THR A 28 3.678 -2.249 -13.745 1.00 0.00 H new ATOM 0 HB THR A 28 6.223 -1.072 -12.562 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.532 0.316 -14.191 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.357 -2.630 -14.103 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.326 -3.493 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.776 -3.268 -14.614 1.00 0.00 H new ATOM 407 N ARG A 29 3.712 -3.812 -11.819 1.00 0.00 N ATOM 408 CA ARG A 29 3.650 -4.732 -10.689 1.00 0.00 C ATOM 409 C ARG A 29 5.003 -5.398 -10.455 1.00 0.00 C ATOM 410 O ARG A 29 5.560 -6.029 -11.354 1.00 0.00 O ATOM 411 CB ARG A 29 2.580 -5.799 -10.931 1.00 0.00 C ATOM 412 CG ARG A 29 1.159 -5.282 -10.778 1.00 0.00 C ATOM 413 CD ARG A 29 0.191 -6.406 -10.446 1.00 0.00 C ATOM 414 NE ARG A 29 0.239 -7.481 -11.433 1.00 0.00 N ATOM 415 CZ ARG A 29 -0.383 -7.430 -12.606 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.097 -6.362 -12.936 1.00 0.00 N ATOM 417 NH2 ARG A 29 -0.291 -8.448 -13.452 1.00 0.00 N ATOM 0 H ARG A 29 3.345 -4.191 -12.692 1.00 0.00 H new ATOM 0 HA ARG A 29 3.388 -4.159 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.704 -6.205 -11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.735 -6.622 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.127 -4.529 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.847 -4.792 -11.701 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.427 -6.808 -9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.822 -6.008 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 29 0.780 -8.317 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.170 -5.577 -12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.573 -6.326 -13.837 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.258 -9.271 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.769 -8.408 -14.352 1.00 0.00 H new ATOM 431 N TRP A 30 5.526 -5.252 -9.243 1.00 0.00 N ATOM 432 CA TRP A 30 6.814 -5.838 -8.891 1.00 0.00 C ATOM 433 C TRP A 30 6.835 -7.331 -9.199 1.00 0.00 C ATOM 434 O TRP A 30 7.888 -7.900 -9.489 1.00 0.00 O ATOM 435 CB TRP A 30 7.116 -5.606 -7.410 1.00 0.00 C ATOM 436 CG TRP A 30 5.957 -5.917 -6.512 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.026 -5.036 -6.040 1.00 0.00 C ATOM 438 CD2 TRP A 30 5.606 -7.198 -5.978 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.118 -5.693 -5.244 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.452 -7.020 -5.190 1.00 0.00 C ATOM 441 CE3 TRP A 30 6.154 -8.479 -6.089 1.00 0.00 C ATOM 442 CZ2 TRP A 30 3.839 -8.075 -4.519 1.00 0.00 C ATOM 443 CZ3 TRP A 30 5.545 -9.525 -5.422 1.00 0.00 C ATOM 444 CH2 TRP A 30 4.396 -9.318 -4.646 1.00 0.00 C ATOM 0 H TRP A 30 5.078 -4.733 -8.488 1.00 0.00 H new ATOM 0 HA TRP A 30 7.583 -5.351 -9.491 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.967 -6.222 -7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.410 -4.567 -7.265 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.006 -3.979 -6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.324 -5.262 -4.770 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.038 -8.648 -6.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 2.955 -7.917 -3.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.961 -10.519 -5.500 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.942 -10.156 -4.139 1.00 0.00 H new ATOM 455 N ASP A 31 5.667 -7.960 -9.135 1.00 0.00 N ATOM 456 CA ASP A 31 5.552 -9.388 -9.409 1.00 0.00 C ATOM 457 C ASP A 31 5.479 -9.650 -10.910 1.00 0.00 C ATOM 458 O ASP A 31 5.909 -10.699 -11.388 1.00 0.00 O ATOM 459 CB ASP A 31 4.315 -9.963 -8.718 1.00 0.00 C ATOM 460 CG ASP A 31 3.037 -9.666 -9.477 1.00 0.00 C ATOM 461 OD1 ASP A 31 2.786 -10.335 -10.502 1.00 0.00 O ATOM 462 OD2 ASP A 31 2.287 -8.766 -9.047 1.00 0.00 O ATOM 0 H ASP A 31 4.786 -7.504 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 31 6.441 -9.881 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.430 -11.042 -8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.240 -9.551 -7.712 1.00 0.00 H new ATOM 467 N GLN A 32 4.930 -8.689 -11.647 1.00 0.00 N ATOM 468 CA GLN A 32 4.799 -8.817 -13.093 1.00 0.00 C ATOM 469 C GLN A 32 6.169 -8.827 -13.765 1.00 0.00 C ATOM 470 O GLN A 32 6.300 -9.223 -14.923 1.00 0.00 O ATOM 471 CB GLN A 32 3.952 -7.673 -13.653 1.00 0.00 C ATOM 472 CG GLN A 32 3.776 -7.728 -15.162 1.00 0.00 C ATOM 473 CD GLN A 32 3.489 -9.129 -15.666 1.00 0.00 C ATOM 474 OE1 GLN A 32 4.248 -9.682 -16.463 1.00 0.00 O ATOM 475 NE2 GLN A 32 2.390 -9.712 -15.202 1.00 0.00 N ATOM 0 H GLN A 32 4.569 -7.814 -11.266 1.00 0.00 H new ATOM 0 HA GLN A 32 4.303 -9.764 -13.305 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.970 -7.694 -13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.415 -6.724 -13.384 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.960 -7.067 -15.453 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.678 -7.351 -15.643 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.790 -9.217 -14.543 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.146 -10.655 -15.505 1.00 0.00 H new ATOM 484 N ILE A 33 7.185 -8.388 -13.031 1.00 0.00 N ATOM 485 CA ILE A 33 8.545 -8.347 -13.556 1.00 0.00 C ATOM 486 C ILE A 33 8.942 -9.691 -14.156 1.00 0.00 C ATOM 487 O ILE A 33 8.739 -10.749 -13.561 1.00 0.00 O ATOM 488 CB ILE A 33 9.559 -7.966 -12.462 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.183 -6.623 -11.832 1.00 0.00 C ATOM 490 CG2 ILE A 33 10.965 -7.910 -13.040 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.203 -5.470 -12.811 1.00 0.00 C ATOM 0 H ILE A 33 7.093 -8.056 -12.071 1.00 0.00 H new ATOM 0 HA ILE A 33 8.561 -7.585 -14.335 1.00 0.00 H new ATOM 0 HB ILE A 33 9.536 -8.730 -11.685 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.187 -6.702 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.873 -6.408 -11.016 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.671 -7.639 -12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.231 -8.886 -13.446 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.002 -7.164 -13.834 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.927 -4.550 -12.296 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.204 -5.365 -13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.493 -5.663 -13.615 1.00 0.00 H new ATOM 503 N PRO A 34 9.525 -9.650 -15.364 1.00 0.00 N ATOM 504 CA PRO A 34 9.967 -10.856 -16.071 1.00 0.00 C ATOM 505 C PRO A 34 11.171 -11.511 -15.403 1.00 0.00 C ATOM 506 O PRO A 34 12.210 -10.878 -15.216 1.00 0.00 O ATOM 507 CB PRO A 34 10.344 -10.335 -17.460 1.00 0.00 C ATOM 508 CG PRO A 34 10.688 -8.901 -17.246 1.00 0.00 C ATOM 509 CD PRO A 34 9.799 -8.423 -16.131 1.00 0.00 C ATOM 0 HA PRO A 34 9.196 -11.626 -16.085 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.188 -10.887 -17.874 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.517 -10.443 -18.161 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.740 -8.787 -16.983 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.522 -8.320 -18.153 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.293 -7.668 -15.519 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.882 -7.974 -16.512 1.00 0.00 H new ATOM 517 N ASP A 35 11.024 -12.783 -15.047 1.00 0.00 N ATOM 518 CA ASP A 35 12.101 -13.525 -14.401 1.00 0.00 C ATOM 519 C ASP A 35 13.246 -13.779 -15.376 1.00 0.00 C ATOM 520 O ASP A 35 14.334 -14.196 -14.976 1.00 0.00 O ATOM 521 CB ASP A 35 11.577 -14.853 -13.852 1.00 0.00 C ATOM 522 CG ASP A 35 11.186 -15.819 -14.953 1.00 0.00 C ATOM 523 OD1 ASP A 35 10.707 -15.354 -16.008 1.00 0.00 O ATOM 524 OD2 ASP A 35 11.358 -17.041 -14.759 1.00 0.00 O ATOM 0 H ASP A 35 10.170 -13.321 -15.195 1.00 0.00 H new ATOM 0 HA ASP A 35 12.479 -12.923 -13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.342 -15.311 -13.225 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.713 -14.664 -13.214 1.00 0.00 H new ATOM 529 N ASP A 36 12.994 -13.528 -16.656 1.00 0.00 N ATOM 530 CA ASP A 36 14.004 -13.730 -17.688 1.00 0.00 C ATOM 531 C ASP A 36 15.001 -12.576 -17.706 1.00 0.00 C ATOM 532 O ASP A 36 16.071 -12.677 -18.306 1.00 0.00 O ATOM 533 CB ASP A 36 13.341 -13.868 -19.059 1.00 0.00 C ATOM 534 CG ASP A 36 12.107 -14.748 -19.020 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.032 -14.247 -18.630 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.217 -15.939 -19.380 1.00 0.00 O ATOM 0 H ASP A 36 12.099 -13.184 -17.004 1.00 0.00 H new ATOM 0 HA ASP A 36 14.544 -14.649 -17.459 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.067 -12.880 -19.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.058 -14.285 -19.766 1.00 0.00 H new ATOM 541 N TRP A 37 14.643 -11.481 -17.046 1.00 0.00 N ATOM 542 CA TRP A 37 15.506 -10.307 -16.987 1.00 0.00 C ATOM 543 C TRP A 37 16.913 -10.688 -16.539 1.00 0.00 C ATOM 544 O TRP A 37 17.088 -11.390 -15.542 1.00 0.00 O ATOM 545 CB TRP A 37 14.920 -9.264 -16.034 1.00 0.00 C ATOM 546 CG TRP A 37 15.200 -7.852 -16.453 1.00 0.00 C ATOM 547 CD1 TRP A 37 16.128 -7.007 -15.916 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.545 -7.122 -17.496 1.00 0.00 C ATOM 549 NE1 TRP A 37 16.089 -5.795 -16.562 1.00 0.00 N ATOM 550 CE2 TRP A 37 15.128 -5.840 -17.536 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.525 -7.426 -18.401 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.722 -4.866 -18.444 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.123 -6.459 -19.302 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.721 -5.192 -19.319 1.00 0.00 C ATOM 0 H TRP A 37 13.761 -11.381 -16.544 1.00 0.00 H new ATOM 0 HA TRP A 37 15.566 -9.881 -17.988 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.842 -9.409 -15.967 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.326 -9.426 -15.035 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.795 -7.255 -15.103 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.681 -4.991 -16.350 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.059 -8.400 -18.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 15.180 -3.888 -18.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.335 -6.683 -20.005 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.386 -4.458 -20.037 1.00 0.00 H new ATOM 565 N CYS A 38 17.912 -10.222 -17.281 1.00 0.00 N ATOM 566 CA CYS A 38 19.304 -10.515 -16.959 1.00 0.00 C ATOM 567 C CYS A 38 20.005 -9.280 -16.402 1.00 0.00 C ATOM 568 O CYS A 38 19.943 -8.200 -16.992 1.00 0.00 O ATOM 569 CB CYS A 38 20.041 -11.018 -18.202 1.00 0.00 C ATOM 570 SG CYS A 38 19.601 -12.702 -18.689 1.00 0.00 S ATOM 0 H CYS A 38 17.784 -9.640 -18.109 1.00 0.00 H new ATOM 0 HA CYS A 38 19.319 -11.294 -16.196 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.832 -10.344 -19.033 1.00 0.00 H new ATOM 0 HB3 CYS A 38 21.114 -10.973 -18.018 1.00 0.00 H new ATOM 0 HG CYS A 38 18.311 -12.851 -18.619 1.00 0.00 H new ATOM 576 N CYS A 39 20.669 -9.447 -15.264 1.00 0.00 N ATOM 577 CA CYS A 39 21.381 -8.345 -14.626 1.00 0.00 C ATOM 578 C CYS A 39 22.822 -8.735 -14.315 1.00 0.00 C ATOM 579 O CYS A 39 23.174 -9.914 -14.265 1.00 0.00 O ATOM 580 CB CYS A 39 20.665 -7.924 -13.342 1.00 0.00 C ATOM 581 SG CYS A 39 19.691 -6.409 -13.501 1.00 0.00 S ATOM 0 H CYS A 39 20.729 -10.334 -14.764 1.00 0.00 H new ATOM 0 HA CYS A 39 21.394 -7.504 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 20.008 -8.733 -13.023 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.406 -7.786 -12.555 1.00 0.00 H new ATOM 0 HG CYS A 39 18.494 -6.612 -13.036 1.00 0.00 H new ATOM 587 N PRO A 40 23.676 -7.724 -14.102 1.00 0.00 N ATOM 588 CA PRO A 40 25.094 -7.936 -13.793 1.00 0.00 C ATOM 589 C PRO A 40 25.301 -8.533 -12.406 1.00 0.00 C ATOM 590 O PRO A 40 26.029 -9.513 -12.243 1.00 0.00 O ATOM 591 CB PRO A 40 25.687 -6.527 -13.864 1.00 0.00 C ATOM 592 CG PRO A 40 24.542 -5.619 -13.577 1.00 0.00 C ATOM 593 CD PRO A 40 23.325 -6.294 -14.146 1.00 0.00 C ATOM 0 HA PRO A 40 25.560 -8.644 -14.479 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.487 -6.397 -13.135 1.00 0.00 H new ATOM 0 HB3 PRO A 40 26.115 -6.327 -14.846 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.432 -5.456 -12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.695 -4.641 -14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.434 -6.081 -13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 40 23.120 -5.962 -15.164 1.00 0.00 H new ATOM 601 N ASP A 41 24.658 -7.937 -11.408 1.00 0.00 N ATOM 602 CA ASP A 41 24.771 -8.411 -10.034 1.00 0.00 C ATOM 603 C ASP A 41 23.843 -9.597 -9.790 1.00 0.00 C ATOM 604 O ASP A 41 24.269 -10.640 -9.292 1.00 0.00 O ATOM 605 CB ASP A 41 24.445 -7.283 -9.054 1.00 0.00 C ATOM 606 CG ASP A 41 25.685 -6.716 -8.390 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.609 -7.501 -8.090 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.731 -5.488 -8.172 1.00 0.00 O ATOM 0 H ASP A 41 24.053 -7.124 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 41 25.798 -8.737 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.923 -6.486 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.765 -7.656 -8.288 1.00 0.00 H new ATOM 613 N CYS A 42 22.573 -9.430 -10.142 1.00 0.00 N ATOM 614 CA CYS A 42 21.584 -10.487 -9.960 1.00 0.00 C ATOM 615 C CYS A 42 22.013 -11.763 -10.676 1.00 0.00 C ATOM 616 O CYS A 42 21.570 -12.859 -10.332 1.00 0.00 O ATOM 617 CB CYS A 42 20.219 -10.031 -10.478 1.00 0.00 C ATOM 618 SG CYS A 42 18.848 -11.105 -9.992 1.00 0.00 S ATOM 0 H CYS A 42 22.204 -8.573 -10.555 1.00 0.00 H new ATOM 0 HA CYS A 42 21.508 -10.699 -8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 42 20.023 -9.022 -10.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.255 -9.976 -11.566 1.00 0.00 H new ATOM 0 HG CYS A 42 17.736 -10.636 -10.476 1.00 0.00 H new ATOM 624 N SER A 43 22.876 -11.613 -11.675 1.00 0.00 N ATOM 625 CA SER A 43 23.361 -12.753 -12.444 1.00 0.00 C ATOM 626 C SER A 43 23.870 -13.855 -11.520 1.00 0.00 C ATOM 627 O SER A 43 23.652 -15.041 -11.769 1.00 0.00 O ATOM 628 CB SER A 43 24.476 -12.316 -13.396 1.00 0.00 C ATOM 629 OG SER A 43 25.485 -13.306 -13.489 1.00 0.00 O ATOM 0 H SER A 43 23.254 -10.713 -11.971 1.00 0.00 H new ATOM 0 HA SER A 43 22.528 -13.147 -13.027 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.059 -12.123 -14.385 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.912 -11.380 -13.046 1.00 0.00 H new ATOM 0 HG SER A 43 26.185 -13.003 -14.105 1.00 0.00 H new ATOM 635 N VAL A 44 24.551 -13.454 -10.450 1.00 0.00 N ATOM 636 CA VAL A 44 25.090 -14.406 -9.487 1.00 0.00 C ATOM 637 C VAL A 44 24.256 -14.429 -8.211 1.00 0.00 C ATOM 638 O VAL A 44 24.767 -14.718 -7.128 1.00 0.00 O ATOM 639 CB VAL A 44 26.551 -14.074 -9.127 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.456 -14.267 -10.334 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.657 -12.653 -8.592 1.00 0.00 C ATOM 0 H VAL A 44 24.742 -12.477 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 44 25.054 -15.388 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 44 26.879 -14.758 -8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.484 -14.028 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.401 -15.303 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 44 27.133 -13.609 -11.140 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.695 -12.435 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.311 -11.952 -9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.041 -12.554 -7.699 1.00 0.00 H new ATOM 651 N ARG A 45 22.970 -14.123 -8.345 1.00 0.00 N ATOM 652 CA ARG A 45 22.065 -14.108 -7.203 1.00 0.00 C ATOM 653 C ARG A 45 20.681 -14.615 -7.599 1.00 0.00 C ATOM 654 O ARG A 45 20.369 -14.732 -8.783 1.00 0.00 O ATOM 655 CB ARG A 45 21.957 -12.694 -6.629 1.00 0.00 C ATOM 656 CG ARG A 45 23.303 -12.037 -6.370 1.00 0.00 C ATOM 657 CD ARG A 45 24.020 -12.681 -5.194 1.00 0.00 C ATOM 658 NE ARG A 45 25.461 -12.446 -5.236 1.00 0.00 N ATOM 659 CZ ARG A 45 26.345 -13.179 -4.567 1.00 0.00 C ATOM 660 NH1 ARG A 45 25.936 -14.186 -3.808 1.00 0.00 N ATOM 661 NH2 ARG A 45 27.640 -12.904 -4.656 1.00 0.00 N ATOM 0 H ARG A 45 22.531 -13.882 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 45 22.472 -14.772 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.386 -12.073 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.395 -12.732 -5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.924 -12.113 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.159 -10.975 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.615 -12.286 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.827 -13.754 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 45 25.808 -11.677 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 45 24.941 -14.400 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.616 -14.747 -3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 45 27.958 -12.129 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 45 28.317 -13.467 -4.142 1.00 0.00 H new ATOM 675 N GLU A 46 19.857 -14.913 -6.599 1.00 0.00 N ATOM 676 CA GLU A 46 18.508 -15.408 -6.844 1.00 0.00 C ATOM 677 C GLU A 46 17.491 -14.272 -6.781 1.00 0.00 C ATOM 678 O GLU A 46 17.649 -13.325 -6.010 1.00 0.00 O ATOM 679 CB GLU A 46 18.144 -16.490 -5.824 1.00 0.00 C ATOM 680 CG GLU A 46 19.111 -17.661 -5.808 1.00 0.00 C ATOM 681 CD GLU A 46 19.098 -18.412 -4.491 1.00 0.00 C ATOM 682 OE1 GLU A 46 18.258 -19.322 -4.334 1.00 0.00 O ATOM 683 OE2 GLU A 46 19.928 -18.087 -3.615 1.00 0.00 O ATOM 0 H GLU A 46 20.100 -14.820 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 46 18.484 -15.839 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.110 -16.044 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.142 -16.860 -6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.857 -18.348 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.120 -17.297 -6.004 1.00 0.00 H new ATOM 690 N LYS A 47 16.448 -14.373 -7.597 1.00 0.00 N ATOM 691 CA LYS A 47 15.404 -13.356 -7.636 1.00 0.00 C ATOM 692 C LYS A 47 14.646 -13.304 -6.313 1.00 0.00 C ATOM 693 O LYS A 47 14.070 -12.277 -5.956 1.00 0.00 O ATOM 694 CB LYS A 47 14.432 -13.637 -8.783 1.00 0.00 C ATOM 695 CG LYS A 47 14.842 -12.998 -10.099 1.00 0.00 C ATOM 696 CD LYS A 47 14.621 -11.495 -10.082 1.00 0.00 C ATOM 697 CE LYS A 47 13.157 -11.144 -10.297 1.00 0.00 C ATOM 698 NZ LYS A 47 12.416 -11.041 -9.009 1.00 0.00 N ATOM 0 H LYS A 47 16.303 -15.150 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 47 15.879 -12.389 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.350 -14.715 -8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.442 -13.275 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.893 -13.210 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.270 -13.442 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.958 -11.088 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.226 -11.028 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.085 -10.198 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.690 -11.903 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.673 -11.768 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.075 -11.183 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.981 -10.099 -8.933 1.00 0.00 H new ATOM 712 N VAL A 48 14.651 -14.420 -5.590 1.00 0.00 N ATOM 713 CA VAL A 48 13.965 -14.501 -4.306 1.00 0.00 C ATOM 714 C VAL A 48 14.691 -13.683 -3.243 1.00 0.00 C ATOM 715 O VAL A 48 14.175 -13.477 -2.144 1.00 0.00 O ATOM 716 CB VAL A 48 13.847 -15.959 -3.824 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.218 -16.523 -3.485 1.00 0.00 C ATOM 718 CG2 VAL A 48 12.914 -16.049 -2.626 1.00 0.00 C ATOM 0 H VAL A 48 15.122 -15.280 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 48 12.965 -14.093 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 48 13.425 -16.557 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.114 -17.554 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.852 -16.494 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.672 -15.926 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.842 -17.086 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 48 13.306 -15.438 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.925 -15.688 -2.907 1.00 0.00 H new ATOM 728 N ASP A 49 15.890 -13.219 -3.577 1.00 0.00 N ATOM 729 CA ASP A 49 16.687 -12.422 -2.652 1.00 0.00 C ATOM 730 C ASP A 49 15.975 -11.118 -2.307 1.00 0.00 C ATOM 731 O ASP A 49 16.238 -10.512 -1.268 1.00 0.00 O ATOM 732 CB ASP A 49 18.061 -12.124 -3.255 1.00 0.00 C ATOM 733 CG ASP A 49 19.025 -11.544 -2.239 1.00 0.00 C ATOM 734 OD1 ASP A 49 18.654 -11.459 -1.050 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.151 -11.177 -2.634 1.00 0.00 O ATOM 0 H ASP A 49 16.332 -13.381 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 49 16.819 -12.997 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.481 -13.042 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.947 -11.425 -4.084 1.00 0.00 H new ATOM 740 N PHE A 50 15.074 -10.691 -3.185 1.00 0.00 N ATOM 741 CA PHE A 50 14.326 -9.457 -2.974 1.00 0.00 C ATOM 742 C PHE A 50 13.550 -9.509 -1.661 1.00 0.00 C ATOM 743 O PHE A 50 12.833 -10.471 -1.390 1.00 0.00 O ATOM 744 CB PHE A 50 13.364 -9.213 -4.139 1.00 0.00 C ATOM 745 CG PHE A 50 13.948 -8.364 -5.231 1.00 0.00 C ATOM 746 CD1 PHE A 50 14.109 -6.999 -5.055 1.00 0.00 C ATOM 747 CD2 PHE A 50 14.336 -8.931 -6.435 1.00 0.00 C ATOM 748 CE1 PHE A 50 14.646 -6.215 -6.059 1.00 0.00 C ATOM 749 CE2 PHE A 50 14.874 -8.152 -7.442 1.00 0.00 C ATOM 750 CZ PHE A 50 15.028 -6.792 -7.254 1.00 0.00 C ATOM 0 H PHE A 50 14.844 -11.181 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 50 15.039 -8.634 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.063 -10.173 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.462 -8.733 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.811 -6.542 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.217 -9.993 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.767 -5.152 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.174 -8.606 -8.375 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.446 -6.181 -8.040 1.00 0.00 H new ATOM 760 N GLU A 51 13.701 -8.466 -0.850 1.00 0.00 N ATOM 761 CA GLU A 51 13.016 -8.394 0.435 1.00 0.00 C ATOM 762 C GLU A 51 12.104 -7.173 0.497 1.00 0.00 C ATOM 763 O GLU A 51 12.379 -6.147 -0.126 1.00 0.00 O ATOM 764 CB GLU A 51 14.033 -8.344 1.578 1.00 0.00 C ATOM 765 CG GLU A 51 15.117 -9.403 1.475 1.00 0.00 C ATOM 766 CD GLU A 51 15.762 -9.711 2.812 1.00 0.00 C ATOM 767 OE1 GLU A 51 15.497 -8.971 3.783 1.00 0.00 O ATOM 768 OE2 GLU A 51 16.530 -10.692 2.888 1.00 0.00 O ATOM 0 H GLU A 51 14.291 -7.661 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 51 12.403 -9.289 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.500 -7.359 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.508 -8.464 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.689 -10.317 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.882 -9.067 0.776 1.00 0.00 H new ATOM 775 N ARG A 52 11.017 -7.291 1.253 1.00 0.00 N ATOM 776 CA ARG A 52 10.063 -6.198 1.396 1.00 0.00 C ATOM 777 C ARG A 52 10.507 -5.227 2.486 1.00 0.00 C ATOM 778 O ARG A 52 11.018 -5.639 3.527 1.00 0.00 O ATOM 779 CB ARG A 52 8.672 -6.746 1.722 1.00 0.00 C ATOM 780 CG ARG A 52 8.582 -7.402 3.090 1.00 0.00 C ATOM 781 CD ARG A 52 7.193 -7.965 3.348 1.00 0.00 C ATOM 782 NE ARG A 52 7.013 -8.364 4.741 1.00 0.00 N ATOM 783 CZ ARG A 52 5.884 -8.873 5.220 1.00 0.00 C ATOM 784 NH1 ARG A 52 4.839 -9.044 4.422 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.798 -9.212 6.500 1.00 0.00 N ATOM 0 H ARG A 52 10.775 -8.133 1.776 1.00 0.00 H new ATOM 0 HA ARG A 52 10.021 -5.660 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.949 -5.932 1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.389 -7.473 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.319 -8.202 3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.829 -6.673 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.445 -7.217 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.025 -8.825 2.700 1.00 0.00 H new ATOM 0 HE ARG A 52 7.798 -8.245 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.901 -8.784 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.973 -9.435 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.600 -9.082 7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.930 -9.603 6.867 1.00 0.00 H new ATOM 799 N MET A 53 10.310 -3.936 2.237 1.00 0.00 N ATOM 800 CA MET A 53 10.690 -2.907 3.198 1.00 0.00 C ATOM 801 C MET A 53 9.616 -2.740 4.269 1.00 0.00 C ATOM 802 O MET A 53 8.577 -3.396 4.227 1.00 0.00 O ATOM 803 CB MET A 53 10.927 -1.575 2.484 1.00 0.00 C ATOM 804 CG MET A 53 12.268 -1.497 1.772 1.00 0.00 C ATOM 805 SD MET A 53 13.615 -1.037 2.878 1.00 0.00 S ATOM 806 CE MET A 53 14.627 -2.513 2.812 1.00 0.00 C ATOM 0 H MET A 53 9.890 -3.578 1.379 1.00 0.00 H new ATOM 0 HA MET A 53 11.615 -3.221 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.130 -1.414 1.758 1.00 0.00 H new ATOM 0 HB3 MET A 53 10.864 -0.766 3.212 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.490 -2.462 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.203 -0.770 0.962 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.503 -2.383 3.448 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.048 -3.367 3.163 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.947 -2.689 1.785 1.00 0.00 H new ATOM 816 N GLY A 54 9.876 -1.856 5.228 1.00 0.00 N ATOM 817 CA GLY A 54 8.923 -1.619 6.296 1.00 0.00 C ATOM 818 C GLY A 54 9.424 -0.607 7.307 1.00 0.00 C ATOM 819 O GLY A 54 9.826 -0.969 8.412 1.00 0.00 O ATOM 0 H GLY A 54 10.729 -1.300 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.984 -1.267 5.869 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.710 -2.560 6.804 1.00 0.00 H new ATOM 823 N GLY A 55 9.402 0.667 6.927 1.00 0.00 N ATOM 824 CA GLY A 55 9.862 1.715 7.819 1.00 0.00 C ATOM 825 C GLY A 55 8.969 1.876 9.034 1.00 0.00 C ATOM 826 O GLY A 55 9.175 1.223 10.057 1.00 0.00 O ATOM 0 H GLY A 55 9.074 0.992 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.877 1.490 8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.904 2.659 7.275 1.00 0.00 H new ATOM 830 N LYS A 56 7.973 2.749 8.923 1.00 0.00 N ATOM 831 CA LYS A 56 7.045 2.995 10.020 1.00 0.00 C ATOM 832 C LYS A 56 5.600 2.926 9.536 1.00 0.00 C ATOM 833 O LYS A 56 5.302 3.265 8.391 1.00 0.00 O ATOM 834 CB LYS A 56 7.318 4.363 10.649 1.00 0.00 C ATOM 835 CG LYS A 56 6.982 4.431 12.129 1.00 0.00 C ATOM 836 CD LYS A 56 7.667 5.607 12.804 1.00 0.00 C ATOM 837 CE LYS A 56 7.353 5.657 14.291 1.00 0.00 C ATOM 838 NZ LYS A 56 7.686 6.981 14.884 1.00 0.00 N ATOM 0 H LYS A 56 7.788 3.298 8.084 1.00 0.00 H new ATOM 0 HA LYS A 56 7.196 2.220 10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.370 4.613 10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.739 5.119 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.903 4.517 12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.286 3.504 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.745 5.532 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.347 6.536 12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.295 5.445 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.913 4.877 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.457 6.974 15.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.701 7.172 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.133 7.723 14.409 1.00 0.00 H new TER 852 LYS A 56