USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=15 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+ 146:sc= 0.518 (180deg=0.0983) 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 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.0137 USER MOD Single : A 13 TYR OH : rot 150:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.133 F(o=-0.67,f=-0.13) USER MOD Single : A 38 CYS SG : rot 36:sc= 0.03 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.945 USER MOD Single : A 42 CYS SG : rot 17:sc= 0.868 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.169) 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 1.557 -1.582 1.204 1.00 0.00 N ATOM 2 CA MET A 1 2.130 -1.741 -0.128 1.00 0.00 C ATOM 3 C MET A 1 3.448 -2.506 -0.065 1.00 0.00 C ATOM 4 O MET A 1 4.090 -2.573 0.984 1.00 0.00 O ATOM 5 CB MET A 1 2.350 -0.374 -0.779 1.00 0.00 C ATOM 6 CG MET A 1 1.065 0.296 -1.236 1.00 0.00 C ATOM 7 SD MET A 1 0.320 1.320 0.048 1.00 0.00 S ATOM 8 CE MET A 1 -0.685 2.424 -0.940 1.00 0.00 C ATOM 0 H1 MET A 1 1.062 -0.669 1.262 1.00 0.00 H new ATOM 0 H2 MET A 1 0.884 -2.353 1.387 1.00 0.00 H new ATOM 0 H3 MET A 1 2.316 -1.610 1.914 1.00 0.00 H new ATOM 0 HA MET A 1 1.427 -2.314 -0.733 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.858 0.279 -0.070 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.013 -0.491 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.272 0.912 -2.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.352 -0.468 -1.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.210 3.120 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.047 2.981 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.411 1.844 -1.510 1.00 0.00 H new ATOM 18 N THR A 2 3.847 -3.083 -1.194 1.00 0.00 N ATOM 19 CA THR A 2 5.088 -3.844 -1.267 1.00 0.00 C ATOM 20 C THR A 2 6.253 -2.958 -1.693 1.00 0.00 C ATOM 21 O THR A 2 6.089 -2.052 -2.510 1.00 0.00 O ATOM 22 CB THR A 2 4.967 -5.023 -2.251 1.00 0.00 C ATOM 23 OG1 THR A 2 3.949 -5.927 -1.810 1.00 0.00 O ATOM 24 CG2 THR A 2 6.291 -5.762 -2.374 1.00 0.00 C ATOM 0 H THR A 2 3.328 -3.038 -2.071 1.00 0.00 H new ATOM 0 HA THR A 2 5.279 -4.233 -0.267 1.00 0.00 H new ATOM 0 HB THR A 2 4.699 -4.625 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.877 -6.673 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.182 -6.590 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.057 -5.078 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.584 -6.148 -1.398 1.00 0.00 H new ATOM 32 N ALA A 3 7.429 -3.225 -1.134 1.00 0.00 N ATOM 33 CA ALA A 3 8.622 -2.453 -1.459 1.00 0.00 C ATOM 34 C ALA A 3 9.881 -3.301 -1.312 1.00 0.00 C ATOM 35 O ALA A 3 10.211 -3.753 -0.216 1.00 0.00 O ATOM 36 CB ALA A 3 8.708 -1.218 -0.575 1.00 0.00 C ATOM 0 H ALA A 3 7.581 -3.970 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 3 8.548 -2.137 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.604 -0.651 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.827 -0.595 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.755 -1.522 0.471 1.00 0.00 H new ATOM 42 N TYR A 4 10.579 -3.512 -2.422 1.00 0.00 N ATOM 43 CA TYR A 4 11.801 -4.308 -2.417 1.00 0.00 C ATOM 44 C TYR A 4 13.021 -3.435 -2.690 1.00 0.00 C ATOM 45 O TYR A 4 13.041 -2.658 -3.646 1.00 0.00 O ATOM 46 CB TYR A 4 11.712 -5.422 -3.461 1.00 0.00 C ATOM 47 CG TYR A 4 10.857 -6.591 -3.028 1.00 0.00 C ATOM 48 CD1 TYR A 4 11.378 -7.601 -2.230 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.527 -6.687 -3.419 1.00 0.00 C ATOM 50 CE1 TYR A 4 10.601 -8.672 -1.832 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.741 -7.752 -3.025 1.00 0.00 C ATOM 52 CZ TYR A 4 9.282 -8.742 -2.232 1.00 0.00 C ATOM 53 OH TYR A 4 8.503 -9.807 -1.839 1.00 0.00 O ATOM 0 H TYR A 4 10.320 -3.143 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 4 11.911 -4.754 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 4 11.308 -5.010 -4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.717 -5.781 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.410 -7.548 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.100 -5.915 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.023 -9.449 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.708 -7.809 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 4 7.600 -9.704 -2.204 1.00 0.00 H new ATOM 63 N ARG A 5 14.038 -3.569 -1.845 1.00 0.00 N ATOM 64 CA ARG A 5 15.263 -2.792 -1.994 1.00 0.00 C ATOM 65 C ARG A 5 16.492 -3.672 -1.789 1.00 0.00 C ATOM 66 O ARG A 5 16.858 -3.991 -0.656 1.00 0.00 O ATOM 67 CB ARG A 5 15.281 -1.632 -0.997 1.00 0.00 C ATOM 68 CG ARG A 5 16.257 -0.527 -1.366 1.00 0.00 C ATOM 69 CD ARG A 5 17.666 -0.848 -0.894 1.00 0.00 C ATOM 70 NE ARG A 5 18.595 0.247 -1.158 1.00 0.00 N ATOM 71 CZ ARG A 5 18.655 1.353 -0.423 1.00 0.00 C ATOM 72 NH1 ARG A 5 17.845 1.508 0.614 1.00 0.00 N ATOM 73 NH2 ARG A 5 19.528 2.305 -0.727 1.00 0.00 N ATOM 0 H ARG A 5 14.038 -4.208 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 5 15.289 -2.391 -3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.278 -1.210 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.537 -2.017 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.257 -0.386 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.929 0.413 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.650 -1.060 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.019 -1.751 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 5 19.233 0.159 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.173 0.778 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.893 2.358 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 5 20.153 2.188 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.574 3.154 -0.163 1.00 0.00 H new ATOM 87 N CYS A 6 17.125 -4.061 -2.890 1.00 0.00 N ATOM 88 CA CYS A 6 18.314 -4.905 -2.831 1.00 0.00 C ATOM 89 C CYS A 6 19.190 -4.698 -4.062 1.00 0.00 C ATOM 90 O CYS A 6 19.080 -5.411 -5.060 1.00 0.00 O ATOM 91 CB CYS A 6 17.914 -6.377 -2.717 1.00 0.00 C ATOM 92 SG CYS A 6 19.057 -7.379 -1.738 1.00 0.00 S ATOM 0 H CYS A 6 16.835 -3.806 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 6 18.887 -4.622 -1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.921 -6.439 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.842 -6.801 -3.718 1.00 0.00 H new ATOM 0 HG CYS A 6 18.632 -8.607 -1.698 1.00 0.00 H new ATOM 98 N PRO A 7 20.080 -3.697 -3.993 1.00 0.00 N ATOM 99 CA PRO A 7 20.991 -3.371 -5.094 1.00 0.00 C ATOM 100 C PRO A 7 22.061 -4.439 -5.296 1.00 0.00 C ATOM 101 O PRO A 7 22.742 -4.464 -6.322 1.00 0.00 O ATOM 102 CB PRO A 7 21.629 -2.053 -4.648 1.00 0.00 C ATOM 103 CG PRO A 7 21.536 -2.071 -3.161 1.00 0.00 C ATOM 104 CD PRO A 7 20.265 -2.807 -2.835 1.00 0.00 C ATOM 0 HA PRO A 7 20.470 -3.306 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.665 -1.983 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 7 21.102 -1.196 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.400 -2.570 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.515 -1.058 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 7 20.354 -3.370 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.424 -2.124 -2.715 1.00 0.00 H new ATOM 112 N VAL A 8 22.203 -5.322 -4.313 1.00 0.00 N ATOM 113 CA VAL A 8 23.189 -6.394 -4.384 1.00 0.00 C ATOM 114 C VAL A 8 22.975 -7.256 -5.623 1.00 0.00 C ATOM 115 O VAL A 8 23.899 -7.915 -6.100 1.00 0.00 O ATOM 116 CB VAL A 8 23.134 -7.290 -3.133 1.00 0.00 C ATOM 117 CG1 VAL A 8 24.149 -8.418 -3.239 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.371 -6.466 -1.876 1.00 0.00 C ATOM 0 H VAL A 8 21.648 -5.316 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 8 24.169 -5.920 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 8 22.140 -7.732 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.096 -9.041 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.929 -9.024 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.151 -7.999 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.329 -7.116 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 8 24.352 -5.994 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.602 -5.697 -1.795 1.00 0.00 H new ATOM 128 N CYS A 9 21.751 -7.245 -6.140 1.00 0.00 N ATOM 129 CA CYS A 9 21.415 -8.027 -7.325 1.00 0.00 C ATOM 130 C CYS A 9 21.051 -7.115 -8.492 1.00 0.00 C ATOM 131 O CYS A 9 21.632 -7.212 -9.573 1.00 0.00 O ATOM 132 CB CYS A 9 20.255 -8.977 -7.022 1.00 0.00 C ATOM 133 SG CYS A 9 20.251 -9.623 -5.334 1.00 0.00 S ATOM 0 H CYS A 9 20.976 -6.704 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 9 22.291 -8.613 -7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.315 -8.455 -7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 9 20.293 -9.814 -7.720 1.00 0.00 H new ATOM 0 HG CYS A 9 19.232 -10.414 -5.175 1.00 0.00 H new ATOM 139 N ASP A 10 20.085 -6.232 -8.267 1.00 0.00 N ATOM 140 CA ASP A 10 19.643 -5.303 -9.300 1.00 0.00 C ATOM 141 C ASP A 10 19.095 -4.021 -8.680 1.00 0.00 C ATOM 142 O ASP A 10 18.757 -3.987 -7.497 1.00 0.00 O ATOM 143 CB ASP A 10 18.575 -5.955 -10.179 1.00 0.00 C ATOM 144 CG ASP A 10 17.316 -6.296 -9.405 1.00 0.00 C ATOM 145 OD1 ASP A 10 16.576 -5.361 -9.034 1.00 0.00 O ATOM 146 OD2 ASP A 10 17.072 -7.497 -9.170 1.00 0.00 O ATOM 0 H ASP A 10 19.593 -6.140 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 10 20.505 -5.048 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.323 -5.282 -10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.981 -6.863 -10.625 1.00 0.00 H new ATOM 151 N TYR A 11 19.012 -2.969 -9.487 1.00 0.00 N ATOM 152 CA TYR A 11 18.510 -1.683 -9.017 1.00 0.00 C ATOM 153 C TYR A 11 17.241 -1.864 -8.188 1.00 0.00 C ATOM 154 O TYR A 11 16.533 -2.863 -8.324 1.00 0.00 O ATOM 155 CB TYR A 11 18.230 -0.757 -10.201 1.00 0.00 C ATOM 156 CG TYR A 11 19.482 -0.214 -10.853 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.365 0.591 -10.145 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.781 -0.506 -12.179 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.509 1.090 -10.737 1.00 0.00 C ATOM 160 CE2 TYR A 11 20.923 -0.013 -12.778 1.00 0.00 C ATOM 161 CZ TYR A 11 21.784 0.785 -12.054 1.00 0.00 C ATOM 162 OH TYR A 11 22.923 1.279 -12.647 1.00 0.00 O ATOM 0 H TYR A 11 19.286 -2.981 -10.469 1.00 0.00 H new ATOM 0 HA TYR A 11 19.275 -1.232 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.648 -1.299 -10.946 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.616 0.077 -9.862 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.153 0.831 -9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.109 -1.129 -12.750 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.184 1.715 -10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 11 21.141 -0.251 -13.809 1.00 0.00 H new ATOM 0 HH TYR A 11 22.969 0.970 -13.576 1.00 0.00 H new ATOM 172 N THR A 12 16.960 -0.890 -7.329 1.00 0.00 N ATOM 173 CA THR A 12 15.778 -0.940 -6.477 1.00 0.00 C ATOM 174 C THR A 12 14.726 0.063 -6.937 1.00 0.00 C ATOM 175 O THR A 12 15.023 1.240 -7.140 1.00 0.00 O ATOM 176 CB THR A 12 16.134 -0.655 -5.006 1.00 0.00 C ATOM 177 OG1 THR A 12 16.365 0.746 -4.820 1.00 0.00 O ATOM 178 CG2 THR A 12 17.368 -1.439 -4.586 1.00 0.00 C ATOM 0 H THR A 12 17.535 -0.057 -7.205 1.00 0.00 H new ATOM 0 HA THR A 12 15.373 -1.949 -6.556 1.00 0.00 H new ATOM 0 HB THR A 12 15.295 -0.969 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.014 0.877 -4.097 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.600 -1.221 -3.543 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.177 -2.506 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.212 -1.152 -5.213 1.00 0.00 H new ATOM 186 N TYR A 13 13.495 -0.410 -7.099 1.00 0.00 N ATOM 187 CA TYR A 13 12.399 0.445 -7.537 1.00 0.00 C ATOM 188 C TYR A 13 11.074 -0.018 -6.938 1.00 0.00 C ATOM 189 O TYR A 13 10.525 -1.044 -7.337 1.00 0.00 O ATOM 190 CB TYR A 13 12.307 0.450 -9.064 1.00 0.00 C ATOM 191 CG TYR A 13 12.479 -0.917 -9.685 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.744 -1.430 -9.944 1.00 0.00 C ATOM 193 CD2 TYR A 13 11.376 -1.696 -10.013 1.00 0.00 C ATOM 194 CE1 TYR A 13 13.905 -2.679 -10.513 1.00 0.00 C ATOM 195 CE2 TYR A 13 11.528 -2.946 -10.580 1.00 0.00 C ATOM 196 CZ TYR A 13 12.794 -3.433 -10.829 1.00 0.00 C ATOM 197 OH TYR A 13 12.951 -4.678 -11.394 1.00 0.00 O ATOM 0 H TYR A 13 13.232 -1.381 -6.933 1.00 0.00 H new ATOM 0 HA TYR A 13 12.600 1.458 -7.188 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.339 0.855 -9.360 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.069 1.120 -9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.616 -0.843 -9.697 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.383 -1.317 -9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.895 -3.063 -10.709 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.660 -3.539 -10.827 1.00 0.00 H new ATOM 0 HH TYR A 13 12.203 -5.254 -11.130 1.00 0.00 H new ATOM 207 N ASP A 14 10.567 0.748 -5.978 1.00 0.00 N ATOM 208 CA ASP A 14 9.306 0.419 -5.324 1.00 0.00 C ATOM 209 C ASP A 14 8.131 0.623 -6.275 1.00 0.00 C ATOM 210 O ASP A 14 8.011 1.668 -6.913 1.00 0.00 O ATOM 211 CB ASP A 14 9.118 1.276 -4.071 1.00 0.00 C ATOM 212 CG ASP A 14 7.740 1.114 -3.460 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.131 0.040 -3.646 1.00 0.00 O ATOM 214 OD2 ASP A 14 7.270 2.062 -2.796 1.00 0.00 O ATOM 0 H ASP A 14 11.010 1.601 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 14 9.338 -0.632 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.873 1.006 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.279 2.324 -4.324 1.00 0.00 H new ATOM 219 N GLU A 15 7.268 -0.384 -6.365 1.00 0.00 N ATOM 220 CA GLU A 15 6.103 -0.315 -7.241 1.00 0.00 C ATOM 221 C GLU A 15 5.222 0.878 -6.881 1.00 0.00 C ATOM 222 O GLU A 15 4.530 1.432 -7.733 1.00 0.00 O ATOM 223 CB GLU A 15 5.292 -1.609 -7.150 1.00 0.00 C ATOM 224 CG GLU A 15 4.887 -1.975 -5.731 1.00 0.00 C ATOM 225 CD GLU A 15 3.675 -1.200 -5.252 1.00 0.00 C ATOM 226 OE1 GLU A 15 2.895 -0.731 -6.107 1.00 0.00 O ATOM 227 OE2 GLU A 15 3.507 -1.063 -4.022 1.00 0.00 O ATOM 0 H GLU A 15 7.353 -1.256 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 15 6.456 -0.188 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.395 -1.509 -7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.877 -2.425 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.673 -3.043 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.724 -1.786 -5.058 1.00 0.00 H new ATOM 234 N GLY A 16 5.253 1.267 -5.610 1.00 0.00 N ATOM 235 CA GLY A 16 4.453 2.390 -5.158 1.00 0.00 C ATOM 236 C GLY A 16 5.168 3.716 -5.327 1.00 0.00 C ATOM 237 O GLY A 16 4.707 4.746 -4.834 1.00 0.00 O ATOM 0 H GLY A 16 5.818 0.824 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.516 2.412 -5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.196 2.250 -4.108 1.00 0.00 H new ATOM 241 N LYS A 17 6.298 3.693 -6.025 1.00 0.00 N ATOM 242 CA LYS A 17 7.080 4.901 -6.258 1.00 0.00 C ATOM 243 C LYS A 17 7.014 5.317 -7.724 1.00 0.00 C ATOM 244 O LYS A 17 6.799 6.487 -8.038 1.00 0.00 O ATOM 245 CB LYS A 17 8.536 4.679 -5.845 1.00 0.00 C ATOM 246 CG LYS A 17 9.294 5.967 -5.570 1.00 0.00 C ATOM 247 CD LYS A 17 9.170 6.386 -4.114 1.00 0.00 C ATOM 248 CE LYS A 17 9.166 7.900 -3.969 1.00 0.00 C ATOM 249 NZ LYS A 17 9.151 8.320 -2.541 1.00 0.00 N ATOM 0 H LYS A 17 6.693 2.849 -6.440 1.00 0.00 H new ATOM 0 HA LYS A 17 6.655 5.701 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.560 4.055 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.048 4.127 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.346 5.833 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.911 6.760 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.252 5.977 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.997 5.967 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.047 8.314 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.294 8.311 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.149 9.358 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.298 7.946 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.996 7.949 -2.061 1.00 0.00 H new ATOM 263 N GLY A 18 7.199 4.351 -8.618 1.00 0.00 N ATOM 264 CA GLY A 18 7.156 4.637 -10.040 1.00 0.00 C ATOM 265 C GLY A 18 8.535 4.858 -10.629 1.00 0.00 C ATOM 266 O GLY A 18 9.083 5.957 -10.547 1.00 0.00 O ATOM 0 H GLY A 18 7.378 3.375 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.671 3.810 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.545 5.523 -10.211 1.00 0.00 H new ATOM 270 N ASP A 19 9.097 3.812 -11.223 1.00 0.00 N ATOM 271 CA ASP A 19 10.421 3.896 -11.829 1.00 0.00 C ATOM 272 C ASP A 19 10.338 3.732 -13.343 1.00 0.00 C ATOM 273 O ASP A 19 10.686 2.691 -13.899 1.00 0.00 O ATOM 274 CB ASP A 19 11.344 2.829 -11.238 1.00 0.00 C ATOM 275 CG ASP A 19 12.202 3.367 -10.109 1.00 0.00 C ATOM 276 OD1 ASP A 19 11.677 3.523 -8.987 1.00 0.00 O ATOM 277 OD2 ASP A 19 13.399 3.633 -10.348 1.00 0.00 O ATOM 0 H ASP A 19 8.657 2.895 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 19 10.831 4.882 -11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.744 1.997 -10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.988 2.434 -12.024 1.00 0.00 H new ATOM 282 N PRO A 20 9.864 4.784 -14.027 1.00 0.00 N ATOM 283 CA PRO A 20 9.724 4.781 -15.486 1.00 0.00 C ATOM 284 C PRO A 20 11.072 4.800 -16.199 1.00 0.00 C ATOM 285 O PRO A 20 11.143 4.641 -17.417 1.00 0.00 O ATOM 286 CB PRO A 20 8.950 6.071 -15.771 1.00 0.00 C ATOM 287 CG PRO A 20 9.263 6.962 -14.619 1.00 0.00 C ATOM 288 CD PRO A 20 9.430 6.058 -13.429 1.00 0.00 C ATOM 0 HA PRO A 20 9.226 3.880 -15.845 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.261 6.519 -16.714 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.879 5.882 -15.846 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.172 7.535 -14.804 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.461 7.681 -14.453 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.170 6.447 -12.730 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.498 5.945 -12.876 1.00 0.00 H new ATOM 296 N ARG A 21 12.139 4.995 -15.431 1.00 0.00 N ATOM 297 CA ARG A 21 13.485 5.035 -15.989 1.00 0.00 C ATOM 298 C ARG A 21 13.902 3.660 -16.503 1.00 0.00 C ATOM 299 O ARG A 21 14.759 3.549 -17.379 1.00 0.00 O ATOM 300 CB ARG A 21 14.482 5.523 -14.937 1.00 0.00 C ATOM 301 CG ARG A 21 14.641 7.034 -14.902 1.00 0.00 C ATOM 302 CD ARG A 21 13.449 7.704 -14.236 1.00 0.00 C ATOM 303 NE ARG A 21 13.764 9.056 -13.782 1.00 0.00 N ATOM 304 CZ ARG A 21 14.502 9.317 -12.708 1.00 0.00 C ATOM 305 NH1 ARG A 21 14.998 8.324 -11.983 1.00 0.00 N ATOM 306 NH2 ARG A 21 14.745 10.574 -12.359 1.00 0.00 N ATOM 0 H ARG A 21 12.097 5.128 -14.421 1.00 0.00 H new ATOM 0 HA ARG A 21 13.483 5.731 -16.828 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.159 5.177 -13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.453 5.068 -15.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.553 7.293 -14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.752 7.413 -15.918 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.616 7.742 -14.938 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.123 7.103 -13.387 1.00 0.00 H new ATOM 0 HE ARG A 21 13.398 9.843 -14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.814 7.357 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.564 8.527 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.365 11.340 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.311 10.774 -11.535 1.00 0.00 H new ATOM 320 N GLU A 22 13.290 2.618 -15.951 1.00 0.00 N ATOM 321 CA GLU A 22 13.599 1.250 -16.353 1.00 0.00 C ATOM 322 C GLU A 22 12.484 0.672 -17.219 1.00 0.00 C ATOM 323 O GLU A 22 12.307 -0.543 -17.294 1.00 0.00 O ATOM 324 CB GLU A 22 13.811 0.369 -15.121 1.00 0.00 C ATOM 325 CG GLU A 22 15.015 0.770 -14.285 1.00 0.00 C ATOM 326 CD GLU A 22 16.331 0.404 -14.944 1.00 0.00 C ATOM 327 OE1 GLU A 22 16.582 -0.805 -15.135 1.00 0.00 O ATOM 328 OE2 GLU A 22 17.110 1.324 -15.268 1.00 0.00 O ATOM 0 H GLU A 22 12.578 2.694 -15.225 1.00 0.00 H new ATOM 0 HA GLU A 22 14.518 1.270 -16.940 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.917 0.409 -14.498 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.930 -0.666 -15.441 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.988 1.845 -14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.954 0.285 -13.311 1.00 0.00 H new ATOM 335 N GLY A 23 11.732 1.554 -17.873 1.00 0.00 N ATOM 336 CA GLY A 23 10.643 1.113 -18.725 1.00 0.00 C ATOM 337 C GLY A 23 9.443 0.636 -17.931 1.00 0.00 C ATOM 338 O GLY A 23 8.616 -0.122 -18.438 1.00 0.00 O ATOM 0 H GLY A 23 11.858 2.565 -17.828 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.341 1.933 -19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.993 0.306 -19.369 1.00 0.00 H new ATOM 342 N PHE A 24 9.348 1.079 -16.682 1.00 0.00 N ATOM 343 CA PHE A 24 8.241 0.691 -15.815 1.00 0.00 C ATOM 344 C PHE A 24 7.735 1.885 -15.012 1.00 0.00 C ATOM 345 O PHE A 24 8.126 2.106 -13.865 1.00 0.00 O ATOM 346 CB PHE A 24 8.676 -0.428 -14.867 1.00 0.00 C ATOM 347 CG PHE A 24 9.344 -1.579 -15.564 1.00 0.00 C ATOM 348 CD1 PHE A 24 8.645 -2.355 -16.474 1.00 0.00 C ATOM 349 CD2 PHE A 24 10.672 -1.884 -15.309 1.00 0.00 C ATOM 350 CE1 PHE A 24 9.257 -3.414 -17.117 1.00 0.00 C ATOM 351 CE2 PHE A 24 11.289 -2.941 -15.950 1.00 0.00 C ATOM 352 CZ PHE A 24 10.580 -3.708 -16.854 1.00 0.00 C ATOM 0 H PHE A 24 10.024 1.707 -16.247 1.00 0.00 H new ATOM 0 HA PHE A 24 7.429 0.329 -16.445 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.359 -0.018 -14.123 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.803 -0.797 -14.329 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.610 -2.130 -16.683 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.230 -1.289 -14.602 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.701 -4.011 -17.825 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.325 -3.167 -15.744 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.060 -4.536 -17.354 1.00 0.00 H new ATOM 362 N PRO A 25 6.842 2.676 -15.627 1.00 0.00 N ATOM 363 CA PRO A 25 6.263 3.861 -14.988 1.00 0.00 C ATOM 364 C PRO A 25 5.309 3.501 -13.854 1.00 0.00 C ATOM 365 O PRO A 25 5.124 2.327 -13.536 1.00 0.00 O ATOM 366 CB PRO A 25 5.504 4.543 -16.129 1.00 0.00 C ATOM 367 CG PRO A 25 5.186 3.444 -17.083 1.00 0.00 C ATOM 368 CD PRO A 25 6.330 2.473 -16.992 1.00 0.00 C ATOM 0 HA PRO A 25 7.025 4.490 -14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.597 5.028 -15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.111 5.315 -16.602 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.243 2.962 -16.823 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.079 3.827 -18.098 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.999 1.446 -17.148 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.093 2.680 -17.742 1.00 0.00 H new ATOM 376 N ALA A 26 4.705 4.519 -13.249 1.00 0.00 N ATOM 377 CA ALA A 26 3.769 4.308 -12.152 1.00 0.00 C ATOM 378 C ALA A 26 2.699 3.289 -12.531 1.00 0.00 C ATOM 379 O ALA A 26 2.095 3.377 -13.599 1.00 0.00 O ATOM 380 CB ALA A 26 3.124 5.626 -11.748 1.00 0.00 C ATOM 0 H ALA A 26 4.847 5.497 -13.500 1.00 0.00 H new ATOM 0 HA ALA A 26 4.326 3.912 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.427 5.454 -10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.896 6.326 -11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.586 6.044 -12.599 1.00 0.00 H new ATOM 386 N GLY A 27 2.472 2.321 -11.649 1.00 0.00 N ATOM 387 CA GLY A 27 1.476 1.298 -11.910 1.00 0.00 C ATOM 388 C GLY A 27 2.090 -0.075 -12.098 1.00 0.00 C ATOM 389 O GLY A 27 1.544 -1.077 -11.635 1.00 0.00 O ATOM 0 H GLY A 27 2.960 2.227 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.768 1.265 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.911 1.565 -12.803 1.00 0.00 H new ATOM 393 N THR A 28 3.230 -0.124 -12.781 1.00 0.00 N ATOM 394 CA THR A 28 3.918 -1.384 -13.032 1.00 0.00 C ATOM 395 C THR A 28 4.469 -1.976 -11.740 1.00 0.00 C ATOM 396 O THR A 28 5.430 -1.458 -11.169 1.00 0.00 O ATOM 397 CB THR A 28 5.073 -1.204 -14.035 1.00 0.00 C ATOM 398 OG1 THR A 28 4.566 -0.725 -15.285 1.00 0.00 O ATOM 399 CG2 THR A 28 5.812 -2.516 -14.250 1.00 0.00 C ATOM 0 H THR A 28 3.696 0.695 -13.170 1.00 0.00 H new ATOM 0 HA THR A 28 3.182 -2.067 -13.456 1.00 0.00 H new ATOM 0 HB THR A 28 5.772 -0.475 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.307 -0.612 -15.917 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.623 -2.364 -14.962 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.222 -2.862 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.121 -3.263 -14.641 1.00 0.00 H new ATOM 407 N ARG A 29 3.856 -3.063 -11.284 1.00 0.00 N ATOM 408 CA ARG A 29 4.287 -3.725 -10.058 1.00 0.00 C ATOM 409 C ARG A 29 5.438 -4.688 -10.335 1.00 0.00 C ATOM 410 O ARG A 29 5.562 -5.220 -11.438 1.00 0.00 O ATOM 411 CB ARG A 29 3.118 -4.481 -9.424 1.00 0.00 C ATOM 412 CG ARG A 29 2.633 -3.870 -8.119 1.00 0.00 C ATOM 413 CD ARG A 29 1.124 -3.988 -7.975 1.00 0.00 C ATOM 414 NE ARG A 29 0.498 -2.699 -7.696 1.00 0.00 N ATOM 415 CZ ARG A 29 -0.757 -2.565 -7.282 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.516 -3.637 -7.100 1.00 0.00 N ATOM 417 NH2 ARG A 29 -1.255 -1.357 -7.049 1.00 0.00 N ATOM 0 H ARG A 29 3.060 -3.504 -11.744 1.00 0.00 H new ATOM 0 HA ARG A 29 4.635 -2.959 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.289 -4.511 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.419 -5.513 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.120 -4.368 -7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.922 -2.820 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.704 -4.404 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.890 -4.686 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 29 1.055 -1.855 -7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.136 -4.567 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.479 -3.532 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.674 -0.530 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.219 -1.255 -6.731 1.00 0.00 H new ATOM 431 N TRP A 30 6.276 -4.904 -9.328 1.00 0.00 N ATOM 432 CA TRP A 30 7.418 -5.802 -9.464 1.00 0.00 C ATOM 433 C TRP A 30 6.983 -7.157 -10.010 1.00 0.00 C ATOM 434 O TRP A 30 7.746 -7.832 -10.701 1.00 0.00 O ATOM 435 CB TRP A 30 8.115 -5.981 -8.114 1.00 0.00 C ATOM 436 CG TRP A 30 7.183 -6.391 -7.014 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.451 -5.565 -6.210 1.00 0.00 C ATOM 438 CD2 TRP A 30 6.884 -7.728 -6.598 1.00 0.00 C ATOM 439 NE1 TRP A 30 5.716 -6.308 -5.318 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.963 -7.638 -5.536 1.00 0.00 C ATOM 441 CE3 TRP A 30 7.303 -8.993 -7.020 1.00 0.00 C ATOM 442 CZ2 TRP A 30 5.457 -8.763 -4.892 1.00 0.00 C ATOM 443 CZ3 TRP A 30 6.800 -10.109 -6.379 1.00 0.00 C ATOM 444 CH2 TRP A 30 5.885 -9.989 -5.325 1.00 0.00 C ATOM 0 H TRP A 30 6.187 -4.470 -8.409 1.00 0.00 H new ATOM 0 HA TRP A 30 8.118 -5.355 -10.170 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.899 -6.731 -8.215 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.602 -5.046 -7.838 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.450 -4.486 -6.267 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.088 -5.931 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.007 -9.096 -7.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.752 -8.672 -4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.118 -11.091 -6.696 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.510 -10.881 -4.845 1.00 0.00 H new ATOM 455 N ASP A 31 5.753 -7.549 -9.696 1.00 0.00 N ATOM 456 CA ASP A 31 5.216 -8.825 -10.157 1.00 0.00 C ATOM 457 C ASP A 31 5.176 -8.878 -11.681 1.00 0.00 C ATOM 458 O ASP A 31 5.433 -9.921 -12.281 1.00 0.00 O ATOM 459 CB ASP A 31 3.813 -9.047 -9.589 1.00 0.00 C ATOM 460 CG ASP A 31 3.187 -10.337 -10.080 1.00 0.00 C ATOM 461 OD1 ASP A 31 3.943 -11.264 -10.441 1.00 0.00 O ATOM 462 OD2 ASP A 31 1.942 -10.420 -10.104 1.00 0.00 O ATOM 0 H ASP A 31 5.109 -7.002 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 31 5.873 -9.618 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.863 -9.062 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.175 -8.208 -9.867 1.00 0.00 H new ATOM 467 N GLN A 32 4.850 -7.748 -12.299 1.00 0.00 N ATOM 468 CA GLN A 32 4.774 -7.668 -13.753 1.00 0.00 C ATOM 469 C GLN A 32 6.140 -7.917 -14.384 1.00 0.00 C ATOM 470 O GLN A 32 6.234 -8.365 -15.527 1.00 0.00 O ATOM 471 CB GLN A 32 4.242 -6.299 -14.182 1.00 0.00 C ATOM 472 CG GLN A 32 2.914 -5.933 -13.539 1.00 0.00 C ATOM 473 CD GLN A 32 1.930 -7.086 -13.535 1.00 0.00 C ATOM 474 OE1 GLN A 32 1.893 -7.829 -12.435 1.00 0.00 O flip ATOM 475 NE2 GLN A 32 1.212 -7.308 -14.511 1.00 0.00 N flip ATOM 0 H GLN A 32 4.634 -6.876 -11.816 1.00 0.00 H new ATOM 0 HA GLN A 32 4.088 -8.441 -14.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.980 -5.537 -13.931 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.127 -6.287 -15.266 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.089 -5.606 -12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.477 -5.089 -14.073 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.274 -6.711 -15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.556 -8.089 -14.494 1.00 0.00 H new ATOM 484 N ILE A 33 7.195 -7.623 -13.633 1.00 0.00 N ATOM 485 CA ILE A 33 8.556 -7.815 -14.119 1.00 0.00 C ATOM 486 C ILE A 33 8.751 -9.228 -14.660 1.00 0.00 C ATOM 487 O ILE A 33 8.368 -10.217 -14.036 1.00 0.00 O ATOM 488 CB ILE A 33 9.592 -7.555 -13.010 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.415 -6.148 -12.436 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.003 -7.739 -13.549 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.562 -5.051 -13.467 1.00 0.00 C ATOM 0 H ILE A 33 7.134 -7.251 -12.685 1.00 0.00 H new ATOM 0 HA ILE A 33 8.709 -7.095 -14.923 1.00 0.00 H new ATOM 0 HB ILE A 33 9.433 -8.277 -12.209 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.430 -6.073 -11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.148 -5.992 -11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.724 -7.552 -12.753 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.123 -8.759 -13.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.175 -7.038 -14.366 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.424 -4.081 -12.989 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.557 -5.099 -13.910 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.811 -5.181 -14.246 1.00 0.00 H new ATOM 503 N PRO A 34 9.364 -9.326 -15.849 1.00 0.00 N ATOM 504 CA PRO A 34 9.627 -10.613 -16.500 1.00 0.00 C ATOM 505 C PRO A 34 10.695 -11.423 -15.773 1.00 0.00 C ATOM 506 O PRO A 34 11.779 -10.918 -15.482 1.00 0.00 O ATOM 507 CB PRO A 34 10.117 -10.212 -17.894 1.00 0.00 C ATOM 508 CG PRO A 34 10.678 -8.843 -17.719 1.00 0.00 C ATOM 509 CD PRO A 34 9.848 -8.188 -16.650 1.00 0.00 C ATOM 0 HA PRO A 34 8.744 -11.252 -16.511 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.873 -10.905 -18.263 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.301 -10.216 -18.617 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.727 -8.886 -17.427 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.629 -8.279 -18.651 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.439 -7.496 -16.050 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.023 -7.616 -17.075 1.00 0.00 H new ATOM 517 N ASP A 35 10.381 -12.681 -15.484 1.00 0.00 N ATOM 518 CA ASP A 35 11.315 -13.562 -14.792 1.00 0.00 C ATOM 519 C ASP A 35 12.499 -13.910 -15.688 1.00 0.00 C ATOM 520 O ASP A 35 13.518 -14.417 -15.218 1.00 0.00 O ATOM 521 CB ASP A 35 10.606 -14.840 -14.342 1.00 0.00 C ATOM 522 CG ASP A 35 9.360 -14.555 -13.526 1.00 0.00 C ATOM 523 OD1 ASP A 35 9.490 -14.337 -12.303 1.00 0.00 O ATOM 524 OD2 ASP A 35 8.256 -14.550 -14.109 1.00 0.00 O ATOM 0 H ASP A 35 9.487 -13.114 -15.718 1.00 0.00 H new ATOM 0 HA ASP A 35 11.690 -13.036 -13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.336 -15.430 -15.218 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.294 -15.444 -13.750 1.00 0.00 H new ATOM 529 N ASP A 36 12.357 -13.636 -16.980 1.00 0.00 N ATOM 530 CA ASP A 36 13.415 -13.921 -17.943 1.00 0.00 C ATOM 531 C ASP A 36 14.504 -12.855 -17.884 1.00 0.00 C ATOM 532 O ASP A 36 15.620 -13.067 -18.359 1.00 0.00 O ATOM 533 CB ASP A 36 12.838 -14.002 -19.357 1.00 0.00 C ATOM 534 CG ASP A 36 11.551 -14.801 -19.413 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.592 -16.013 -19.117 1.00 0.00 O ATOM 536 OD2 ASP A 36 10.502 -14.214 -19.753 1.00 0.00 O ATOM 0 H ASP A 36 11.520 -13.217 -17.385 1.00 0.00 H new ATOM 0 HA ASP A 36 13.859 -14.882 -17.685 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.653 -12.994 -19.729 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.573 -14.457 -20.021 1.00 0.00 H new ATOM 541 N TRP A 37 14.172 -11.709 -17.301 1.00 0.00 N ATOM 542 CA TRP A 37 15.122 -10.609 -17.182 1.00 0.00 C ATOM 543 C TRP A 37 16.432 -11.085 -16.566 1.00 0.00 C ATOM 544 O TRP A 37 16.433 -11.786 -15.552 1.00 0.00 O ATOM 545 CB TRP A 37 14.526 -9.482 -16.336 1.00 0.00 C ATOM 546 CG TRP A 37 14.860 -8.114 -16.849 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.706 -7.208 -16.275 1.00 0.00 C ATOM 548 CD2 TRP A 37 14.354 -7.496 -18.037 1.00 0.00 C ATOM 549 NE1 TRP A 37 15.756 -6.065 -17.035 1.00 0.00 N ATOM 550 CE2 TRP A 37 14.936 -6.216 -18.122 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.467 -7.900 -19.038 1.00 0.00 C ATOM 552 CZ2 TRP A 37 14.658 -5.340 -19.167 1.00 0.00 C ATOM 553 CZ3 TRP A 37 13.192 -7.029 -20.075 1.00 0.00 C ATOM 554 CH2 TRP A 37 13.786 -5.762 -20.134 1.00 0.00 C ATOM 0 H TRP A 37 13.252 -11.517 -16.903 1.00 0.00 H new ATOM 0 HA TRP A 37 15.329 -10.232 -18.183 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.442 -9.596 -16.304 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.887 -9.576 -15.312 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.255 -7.367 -15.359 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.314 -5.237 -16.824 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.005 -8.875 -19.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 15.114 -4.362 -19.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.507 -7.331 -20.854 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.551 -5.105 -20.959 1.00 0.00 H new ATOM 565 N CYS A 38 17.545 -10.702 -17.182 1.00 0.00 N ATOM 566 CA CYS A 38 18.863 -11.092 -16.693 1.00 0.00 C ATOM 567 C CYS A 38 19.674 -9.867 -16.281 1.00 0.00 C ATOM 568 O CYS A 38 19.844 -8.932 -17.063 1.00 0.00 O ATOM 569 CB CYS A 38 19.615 -11.880 -17.766 1.00 0.00 C ATOM 570 SG CYS A 38 19.683 -11.057 -19.375 1.00 0.00 S ATOM 0 H CYS A 38 17.561 -10.122 -18.021 1.00 0.00 H new ATOM 0 HA CYS A 38 18.726 -11.726 -15.817 1.00 0.00 H new ATOM 0 HB2 CYS A 38 20.632 -12.064 -17.421 1.00 0.00 H new ATOM 0 HB3 CYS A 38 19.139 -12.853 -17.887 1.00 0.00 H new ATOM 0 HG CYS A 38 19.802 -9.774 -19.202 1.00 0.00 H new ATOM 576 N CYS A 39 20.170 -9.880 -15.049 1.00 0.00 N ATOM 577 CA CYS A 39 20.961 -8.769 -14.532 1.00 0.00 C ATOM 578 C CYS A 39 22.414 -9.185 -14.329 1.00 0.00 C ATOM 579 O CYS A 39 22.743 -10.369 -14.258 1.00 0.00 O ATOM 580 CB CYS A 39 20.372 -8.268 -13.212 1.00 0.00 C ATOM 581 SG CYS A 39 19.434 -6.729 -13.360 1.00 0.00 S ATOM 0 H CYS A 39 20.039 -10.647 -14.390 1.00 0.00 H new ATOM 0 HA CYS A 39 20.932 -7.962 -15.264 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.721 -9.040 -12.801 1.00 0.00 H new ATOM 0 HB3 CYS A 39 21.182 -8.120 -12.498 1.00 0.00 H new ATOM 0 HG CYS A 39 18.276 -6.870 -12.787 1.00 0.00 H new ATOM 587 N PRO A 40 23.307 -8.189 -14.235 1.00 0.00 N ATOM 588 CA PRO A 40 24.741 -8.426 -14.040 1.00 0.00 C ATOM 589 C PRO A 40 25.055 -8.970 -12.651 1.00 0.00 C ATOM 590 O PRO A 40 25.770 -9.962 -12.510 1.00 0.00 O ATOM 591 CB PRO A 40 25.358 -7.037 -14.223 1.00 0.00 C ATOM 592 CG PRO A 40 24.263 -6.088 -13.878 1.00 0.00 C ATOM 593 CD PRO A 40 22.986 -6.753 -14.310 1.00 0.00 C ATOM 0 HA PRO A 40 25.128 -9.174 -14.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 26.222 -6.899 -13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.703 -6.889 -15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.251 -5.878 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.398 -5.134 -14.388 1.00 0.00 H new ATOM 0 HD2 PRO A 40 22.155 -6.492 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.700 -6.457 -15.319 1.00 0.00 H new ATOM 601 N ASP A 41 24.515 -8.316 -11.628 1.00 0.00 N ATOM 602 CA ASP A 41 24.737 -8.736 -10.249 1.00 0.00 C ATOM 603 C ASP A 41 23.830 -9.907 -9.886 1.00 0.00 C ATOM 604 O ASP A 41 24.298 -10.942 -9.407 1.00 0.00 O ATOM 605 CB ASP A 41 24.491 -7.568 -9.293 1.00 0.00 C ATOM 606 CG ASP A 41 25.779 -6.911 -8.837 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.339 -6.104 -9.609 1.00 0.00 O ATOM 608 OD2 ASP A 41 26.227 -7.203 -7.709 1.00 0.00 O ATOM 0 H ASP A 41 23.921 -7.493 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 41 25.773 -9.060 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.863 -6.826 -9.785 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.941 -7.925 -8.422 1.00 0.00 H new ATOM 613 N CYS A 42 22.533 -9.738 -10.114 1.00 0.00 N ATOM 614 CA CYS A 42 21.560 -10.781 -9.809 1.00 0.00 C ATOM 615 C CYS A 42 21.918 -12.083 -10.517 1.00 0.00 C ATOM 616 O CYS A 42 21.508 -13.164 -10.096 1.00 0.00 O ATOM 617 CB CYS A 42 20.156 -10.333 -10.217 1.00 0.00 C ATOM 618 SG CYS A 42 18.862 -11.545 -9.862 1.00 0.00 S ATOM 0 H CYS A 42 22.130 -8.888 -10.509 1.00 0.00 H new ATOM 0 HA CYS A 42 21.579 -10.957 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 42 19.919 -9.403 -9.701 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.152 -10.115 -11.285 1.00 0.00 H new ATOM 0 HG CYS A 42 19.308 -12.419 -9.009 1.00 0.00 H new ATOM 624 N SER A 43 22.685 -11.971 -11.597 1.00 0.00 N ATOM 625 CA SER A 43 23.094 -13.139 -12.369 1.00 0.00 C ATOM 626 C SER A 43 23.686 -14.211 -11.458 1.00 0.00 C ATOM 627 O SER A 43 23.533 -15.407 -11.707 1.00 0.00 O ATOM 628 CB SER A 43 24.115 -12.740 -13.436 1.00 0.00 C ATOM 629 OG SER A 43 25.128 -13.722 -13.565 1.00 0.00 O ATOM 0 H SER A 43 23.036 -11.084 -11.957 1.00 0.00 H new ATOM 0 HA SER A 43 22.210 -13.549 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.611 -12.605 -14.393 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.564 -11.782 -13.174 1.00 0.00 H new ATOM 0 HG SER A 43 25.767 -13.444 -14.254 1.00 0.00 H new ATOM 635 N VAL A 44 24.364 -13.774 -10.402 1.00 0.00 N ATOM 636 CA VAL A 44 24.978 -14.694 -9.453 1.00 0.00 C ATOM 637 C VAL A 44 24.324 -14.586 -8.080 1.00 0.00 C ATOM 638 O VAL A 44 24.930 -14.928 -7.064 1.00 0.00 O ATOM 639 CB VAL A 44 26.489 -14.428 -9.312 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.214 -14.766 -10.605 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.740 -12.982 -8.912 1.00 0.00 C ATOM 0 H VAL A 44 24.502 -12.788 -10.182 1.00 0.00 H new ATOM 0 HA VAL A 44 24.828 -15.700 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 44 26.882 -15.072 -8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.280 -14.572 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.061 -15.819 -10.843 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.821 -14.150 -11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.812 -12.812 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.333 -12.318 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.254 -12.779 -7.958 1.00 0.00 H new ATOM 651 N ARG A 45 23.084 -14.110 -8.058 1.00 0.00 N ATOM 652 CA ARG A 45 22.347 -13.956 -6.810 1.00 0.00 C ATOM 653 C ARG A 45 20.860 -14.228 -7.019 1.00 0.00 C ATOM 654 O ARG A 45 20.205 -13.563 -7.821 1.00 0.00 O ATOM 655 CB ARG A 45 22.544 -12.548 -6.246 1.00 0.00 C ATOM 656 CG ARG A 45 23.933 -12.308 -5.677 1.00 0.00 C ATOM 657 CD ARG A 45 24.074 -12.901 -4.283 1.00 0.00 C ATOM 658 NE ARG A 45 24.468 -14.307 -4.324 1.00 0.00 N ATOM 659 CZ ARG A 45 24.511 -15.089 -3.251 1.00 0.00 C ATOM 660 NH1 ARG A 45 24.185 -14.606 -2.061 1.00 0.00 N ATOM 661 NH2 ARG A 45 24.880 -16.358 -3.369 1.00 0.00 N ATOM 0 H ARG A 45 22.568 -13.824 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 45 22.735 -14.683 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.353 -11.820 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.805 -12.372 -5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.679 -12.748 -6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.132 -11.237 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.815 -12.333 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.128 -12.805 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 45 24.724 -14.710 -5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.900 -13.631 -1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.219 -15.209 -1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.131 -16.733 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.913 -16.958 -2.545 1.00 0.00 H new ATOM 675 N GLU A 46 20.335 -15.210 -6.293 1.00 0.00 N ATOM 676 CA GLU A 46 18.926 -15.571 -6.401 1.00 0.00 C ATOM 677 C GLU A 46 18.034 -14.357 -6.158 1.00 0.00 C ATOM 678 O GLU A 46 18.293 -13.549 -5.266 1.00 0.00 O ATOM 679 CB GLU A 46 18.582 -16.678 -5.402 1.00 0.00 C ATOM 680 CG GLU A 46 19.015 -18.062 -5.856 1.00 0.00 C ATOM 681 CD GLU A 46 20.471 -18.349 -5.544 1.00 0.00 C ATOM 682 OE1 GLU A 46 20.846 -18.290 -4.354 1.00 0.00 O ATOM 683 OE2 GLU A 46 21.235 -18.633 -6.490 1.00 0.00 O ATOM 0 H GLU A 46 20.864 -15.770 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 46 18.747 -15.936 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 46 19.055 -16.453 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.505 -16.681 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.389 -18.812 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.852 -18.156 -6.930 1.00 0.00 H new ATOM 690 N LYS A 47 16.981 -14.234 -6.960 1.00 0.00 N ATOM 691 CA LYS A 47 16.049 -13.120 -6.833 1.00 0.00 C ATOM 692 C LYS A 47 15.371 -13.130 -5.467 1.00 0.00 C ATOM 693 O LYS A 47 14.923 -12.093 -4.978 1.00 0.00 O ATOM 694 CB LYS A 47 14.993 -13.184 -7.939 1.00 0.00 C ATOM 695 CG LYS A 47 14.588 -11.821 -8.474 1.00 0.00 C ATOM 696 CD LYS A 47 14.129 -11.903 -9.920 1.00 0.00 C ATOM 697 CE LYS A 47 13.398 -10.639 -10.345 1.00 0.00 C ATOM 698 NZ LYS A 47 14.192 -9.414 -10.051 1.00 0.00 N ATOM 0 H LYS A 47 16.752 -14.892 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 47 16.614 -12.193 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.376 -13.788 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.108 -13.692 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.786 -11.412 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.431 -11.134 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.991 -12.061 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.473 -12.764 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.183 -10.685 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.439 -10.583 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.752 -8.595 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.217 -9.255 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.162 -9.535 -10.406 1.00 0.00 H new ATOM 712 N VAL A 48 15.300 -14.308 -4.855 1.00 0.00 N ATOM 713 CA VAL A 48 14.679 -14.452 -3.544 1.00 0.00 C ATOM 714 C VAL A 48 15.446 -13.670 -2.484 1.00 0.00 C ATOM 715 O VAL A 48 14.937 -13.424 -1.390 1.00 0.00 O ATOM 716 CB VAL A 48 14.600 -15.931 -3.120 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.994 -16.495 -2.889 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.742 -16.082 -1.873 1.00 0.00 C ATOM 0 H VAL A 48 15.665 -15.176 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 48 13.669 -14.051 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 48 14.133 -16.498 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.919 -17.541 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.573 -16.422 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.490 -15.928 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.697 -17.133 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.178 -15.503 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.735 -15.718 -2.078 1.00 0.00 H new ATOM 728 N ASP A 49 16.672 -13.282 -2.815 1.00 0.00 N ATOM 729 CA ASP A 49 17.511 -12.526 -1.891 1.00 0.00 C ATOM 730 C ASP A 49 16.875 -11.180 -1.559 1.00 0.00 C ATOM 731 O ASP A 49 17.193 -10.566 -0.540 1.00 0.00 O ATOM 732 CB ASP A 49 18.902 -12.314 -2.489 1.00 0.00 C ATOM 733 CG ASP A 49 19.914 -11.861 -1.455 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.551 -11.788 -0.262 1.00 0.00 O ATOM 735 OD2 ASP A 49 21.068 -11.579 -1.839 1.00 0.00 O ATOM 0 H ASP A 49 17.108 -13.478 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 49 17.605 -13.101 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.244 -13.243 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.843 -11.572 -3.285 1.00 0.00 H new ATOM 740 N PHE A 50 15.977 -10.725 -2.426 1.00 0.00 N ATOM 741 CA PHE A 50 15.298 -9.450 -2.226 1.00 0.00 C ATOM 742 C PHE A 50 14.375 -9.510 -1.013 1.00 0.00 C ATOM 743 O PHE A 50 13.581 -10.439 -0.870 1.00 0.00 O ATOM 744 CB PHE A 50 14.496 -9.073 -3.473 1.00 0.00 C ATOM 745 CG PHE A 50 15.260 -8.216 -4.441 1.00 0.00 C ATOM 746 CD1 PHE A 50 16.028 -8.792 -5.440 1.00 0.00 C ATOM 747 CD2 PHE A 50 15.210 -6.834 -4.353 1.00 0.00 C ATOM 748 CE1 PHE A 50 16.733 -8.005 -6.332 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.912 -6.042 -5.242 1.00 0.00 C ATOM 750 CZ PHE A 50 16.674 -6.629 -6.233 1.00 0.00 C ATOM 0 H PHE A 50 15.702 -11.220 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 50 16.056 -8.688 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.178 -9.984 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.592 -8.545 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.077 -9.868 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.615 -6.370 -3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.329 -8.466 -7.105 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.865 -4.966 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.223 -6.013 -6.930 1.00 0.00 H new ATOM 760 N GLU A 51 14.487 -8.512 -0.141 1.00 0.00 N ATOM 761 CA GLU A 51 13.664 -8.452 1.061 1.00 0.00 C ATOM 762 C GLU A 51 12.774 -7.213 1.049 1.00 0.00 C ATOM 763 O GLU A 51 13.011 -6.272 0.291 1.00 0.00 O ATOM 764 CB GLU A 51 14.546 -8.448 2.311 1.00 0.00 C ATOM 765 CG GLU A 51 15.640 -9.502 2.287 1.00 0.00 C ATOM 766 CD GLU A 51 16.377 -9.609 3.608 1.00 0.00 C ATOM 767 OE1 GLU A 51 15.757 -9.337 4.657 1.00 0.00 O ATOM 768 OE2 GLU A 51 17.574 -9.965 3.592 1.00 0.00 O ATOM 0 H GLU A 51 15.139 -7.735 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 51 13.027 -9.336 1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.003 -7.464 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.919 -8.607 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.202 -10.469 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.352 -9.264 1.497 1.00 0.00 H new ATOM 775 N ARG A 52 11.748 -7.220 1.894 1.00 0.00 N ATOM 776 CA ARG A 52 10.821 -6.098 1.981 1.00 0.00 C ATOM 777 C ARG A 52 11.181 -5.184 3.149 1.00 0.00 C ATOM 778 O ARG A 52 11.578 -5.652 4.216 1.00 0.00 O ATOM 779 CB ARG A 52 9.387 -6.605 2.139 1.00 0.00 C ATOM 780 CG ARG A 52 8.354 -5.493 2.225 1.00 0.00 C ATOM 781 CD ARG A 52 6.973 -5.983 1.817 1.00 0.00 C ATOM 782 NE ARG A 52 6.030 -5.951 2.931 1.00 0.00 N ATOM 783 CZ ARG A 52 5.964 -6.894 3.865 1.00 0.00 C ATOM 784 NH1 ARG A 52 6.781 -7.936 3.819 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.078 -6.794 4.848 1.00 0.00 N ATOM 0 H ARG A 52 11.538 -7.991 2.528 1.00 0.00 H new ATOM 0 HA ARG A 52 10.896 -5.524 1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.144 -7.251 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.324 -7.218 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.318 -5.106 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.653 -4.666 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.594 -5.364 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.048 -7.001 1.435 1.00 0.00 H new ATOM 0 HE ARG A 52 5.387 -5.162 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.463 -8.016 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.728 -8.658 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.447 -5.993 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.028 -7.518 5.565 1.00 0.00 H new ATOM 799 N MET A 53 11.039 -3.880 2.939 1.00 0.00 N ATOM 800 CA MET A 53 11.348 -2.901 3.975 1.00 0.00 C ATOM 801 C MET A 53 10.143 -2.670 4.881 1.00 0.00 C ATOM 802 O MET A 53 10.187 -2.965 6.075 1.00 0.00 O ATOM 803 CB MET A 53 11.787 -1.579 3.343 1.00 0.00 C ATOM 804 CG MET A 53 13.289 -1.476 3.130 1.00 0.00 C ATOM 805 SD MET A 53 14.185 -1.144 4.659 1.00 0.00 S ATOM 806 CE MET A 53 15.197 -2.616 4.784 1.00 0.00 C ATOM 0 H MET A 53 10.712 -3.476 2.061 1.00 0.00 H new ATOM 0 HA MET A 53 12.165 -3.295 4.580 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.283 -1.459 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.461 -0.756 3.979 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.655 -2.405 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.497 -0.683 2.412 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.811 -2.560 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 53 14.555 -3.495 4.837 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.842 -2.690 3.908 1.00 0.00 H new ATOM 816 N GLY A 54 9.068 -2.139 4.306 1.00 0.00 N ATOM 817 CA GLY A 54 7.867 -1.877 5.077 1.00 0.00 C ATOM 818 C GLY A 54 7.778 -0.437 5.539 1.00 0.00 C ATOM 819 O GLY A 54 7.940 -0.146 6.724 1.00 0.00 O ATOM 0 H GLY A 54 9.008 -1.886 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.992 -2.116 4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.845 -2.536 5.945 1.00 0.00 H new ATOM 823 N GLY A 55 7.522 0.470 4.601 1.00 0.00 N ATOM 824 CA GLY A 55 7.418 1.878 4.938 1.00 0.00 C ATOM 825 C GLY A 55 5.981 2.357 4.990 1.00 0.00 C ATOM 826 O GLY A 55 5.403 2.495 6.068 1.00 0.00 O ATOM 0 H GLY A 55 7.385 0.255 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.891 2.053 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.967 2.466 4.203 1.00 0.00 H new ATOM 830 N LYS A 56 5.402 2.613 3.822 1.00 0.00 N ATOM 831 CA LYS A 56 4.023 3.081 3.737 1.00 0.00 C ATOM 832 C LYS A 56 3.045 1.917 3.860 1.00 0.00 C ATOM 833 O LYS A 56 1.848 2.070 3.616 1.00 0.00 O ATOM 834 CB LYS A 56 3.793 3.816 2.415 1.00 0.00 C ATOM 835 CG LYS A 56 2.741 4.908 2.501 1.00 0.00 C ATOM 836 CD LYS A 56 3.233 6.094 3.315 1.00 0.00 C ATOM 837 CE LYS A 56 2.215 7.224 3.325 1.00 0.00 C ATOM 838 NZ LYS A 56 2.682 8.384 4.134 1.00 0.00 N ATOM 0 H LYS A 56 5.866 2.504 2.920 1.00 0.00 H new ATOM 0 HA LYS A 56 3.848 3.769 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.734 4.255 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.494 3.094 1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.476 5.239 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.834 4.506 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.435 5.776 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.175 6.455 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.022 7.548 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.270 6.858 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.961 9.133 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.842 8.081 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.570 8.750 3.736 1.00 0.00 H new TER 852 LYS A 56