USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 336 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 TYR N :NH3+ -166:sc= 1.96 (180deg=1.53) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -167:sc=-0.00931 (180deg=-0.17) USER MOD Single : A 3 GLN : amide:sc= -0.985 K(o=-0.98,f=-2.4) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0125 (180deg=-0.189) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00833 X(o=-0.0083,f=-0.019) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.0128 (180deg=0) USER MOD Single : A 22 SER OG : rot 150:sc= 0 USER MOD Single : A 23 SER OG : rot 162:sc= 0.957 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -0.0117 (180deg=-0.229) USER MOD Single : A 28 MET CE :methyl -174:sc= -1.59 (180deg=-1.81) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 1.29 (180deg=1.04) USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= 0.23 (180deg=-0.162) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 27.848 -43.733 11.524 1.00 0.00 N ATOM 2 CA TYR A 1 28.303 -43.387 10.164 1.00 0.00 C ATOM 3 C TYR A 1 29.641 -42.644 10.229 1.00 0.00 C ATOM 4 O TYR A 1 29.795 -41.539 9.711 1.00 0.00 O ATOM 5 CB TYR A 1 27.222 -42.556 9.456 1.00 0.00 C ATOM 6 CG TYR A 1 26.974 -41.197 10.094 1.00 0.00 C ATOM 7 CD1 TYR A 1 26.337 -41.103 11.284 1.00 0.00 C ATOM 8 CD2 TYR A 1 27.405 -40.074 9.476 1.00 0.00 C ATOM 9 CE1 TYR A 1 26.162 -39.897 11.865 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.226 -38.868 10.056 1.00 0.00 C ATOM 11 CZ TYR A 1 26.609 -38.780 11.254 1.00 0.00 C ATOM 12 OH TYR A 1 26.436 -37.559 11.850 1.00 0.00 O ATOM 0 H1 TYR A 1 27.079 -44.431 11.466 1.00 0.00 H new ATOM 0 H2 TYR A 1 28.641 -44.136 12.063 1.00 0.00 H new ATOM 0 H3 TYR A 1 27.503 -42.877 12.003 1.00 0.00 H new ATOM 0 HA TYR A 1 28.462 -44.297 9.585 1.00 0.00 H new ATOM 0 HB2 TYR A 1 27.512 -42.411 8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 1 26.289 -43.120 9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 1 25.968 -41.994 11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 1 27.894 -40.142 8.515 1.00 0.00 H new ATOM 0 HE1 TYR A 1 25.663 -39.826 12.820 1.00 0.00 H new ATOM 0 HE2 TYR A 1 27.576 -37.974 9.562 1.00 0.00 H new ATOM 0 HH TYR A 1 26.816 -36.859 11.279 1.00 0.00 H new ATOM 24 N LYS A 2 30.626 -43.237 10.885 1.00 0.00 N ATOM 25 CA LYS A 2 31.874 -42.501 11.110 1.00 0.00 C ATOM 26 C LYS A 2 33.058 -43.445 11.325 1.00 0.00 C ATOM 27 O LYS A 2 34.061 -43.369 10.616 1.00 0.00 O ATOM 28 CB LYS A 2 31.681 -41.573 12.318 1.00 0.00 C ATOM 29 CG LYS A 2 32.720 -40.451 12.368 1.00 0.00 C ATOM 30 CD LYS A 2 32.481 -39.435 11.246 1.00 0.00 C ATOM 31 CE LYS A 2 33.480 -38.278 11.293 1.00 0.00 C ATOM 32 NZ LYS A 2 33.297 -37.473 12.513 1.00 0.00 N ATOM 0 H LYS A 2 30.598 -44.185 11.260 1.00 0.00 H new ATOM 0 HA LYS A 2 32.106 -41.911 10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.682 -41.137 12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.740 -42.159 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 2 32.673 -39.949 13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 2 33.721 -40.872 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 2 32.554 -39.937 10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 2 31.468 -39.041 11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 2 34.497 -38.669 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 2 33.353 -37.647 10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 33.823 -36.581 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 32.286 -37.267 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 33.652 -38.002 13.335 1.00 0.00 H new ATOM 46 N GLN A 3 32.976 -44.311 12.328 1.00 0.00 N ATOM 47 CA GLN A 3 34.159 -45.085 12.716 1.00 0.00 C ATOM 48 C GLN A 3 34.481 -46.201 11.714 1.00 0.00 C ATOM 49 O GLN A 3 35.563 -46.211 11.129 1.00 0.00 O ATOM 50 CB GLN A 3 33.950 -45.601 14.143 1.00 0.00 C ATOM 51 CG GLN A 3 35.236 -46.200 14.719 1.00 0.00 C ATOM 52 CD GLN A 3 35.073 -46.594 16.181 1.00 0.00 C ATOM 53 OE1 GLN A 3 34.061 -46.319 16.823 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.076 -47.247 16.733 1.00 0.00 N ATOM 0 H GLN A 3 32.135 -44.495 12.875 1.00 0.00 H new ATOM 0 HA GLN A 3 35.039 -44.442 12.700 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.611 -44.784 14.780 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.163 -46.355 14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.521 -47.076 14.136 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.047 -45.477 14.626 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.907 -47.465 16.183 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.021 -47.534 17.710 1.00 0.00 H new ATOM 63 N CYS A 4 33.578 -47.152 11.499 1.00 0.00 N ATOM 64 CA CYS A 4 33.885 -48.226 10.543 1.00 0.00 C ATOM 65 C CYS A 4 33.711 -47.779 9.093 1.00 0.00 C ATOM 66 O CYS A 4 34.449 -48.204 8.206 1.00 0.00 O ATOM 67 CB CYS A 4 33.007 -49.453 10.792 1.00 0.00 C ATOM 68 SG CYS A 4 33.834 -50.904 10.118 1.00 0.00 S ATOM 0 H CYS A 4 32.664 -47.209 11.948 1.00 0.00 H new ATOM 0 HA CYS A 4 34.932 -48.484 10.702 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.831 -49.581 11.860 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.032 -49.322 10.322 1.00 0.00 H new ATOM 73 N HIS A 5 32.715 -46.943 8.838 1.00 0.00 N ATOM 74 CA HIS A 5 32.416 -46.557 7.456 1.00 0.00 C ATOM 75 C HIS A 5 33.545 -45.738 6.821 1.00 0.00 C ATOM 76 O HIS A 5 33.841 -45.890 5.636 1.00 0.00 O ATOM 77 CB HIS A 5 31.100 -45.774 7.484 1.00 0.00 C ATOM 78 CG HIS A 5 30.547 -45.532 6.099 1.00 0.00 C ATOM 79 ND1 HIS A 5 30.440 -44.289 5.501 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.003 -46.525 5.273 1.00 0.00 C ATOM 81 CE1 HIS A 5 29.818 -44.644 4.334 1.00 0.00 C ATOM 82 NE2 HIS A 5 29.523 -45.963 4.101 1.00 0.00 N ATOM 0 H HIS A 5 32.111 -46.525 9.546 1.00 0.00 H new ATOM 0 HA HIS A 5 32.323 -47.447 6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.366 -46.322 8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.260 -44.817 7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 5 29.964 -47.577 5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 5 29.562 -43.891 3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 5 29.078 -46.404 3.296 1.00 0.00 H new ATOM 91 N LYS A 6 34.184 -44.868 7.592 1.00 0.00 N ATOM 92 CA LYS A 6 35.285 -44.076 7.031 1.00 0.00 C ATOM 93 C LYS A 6 36.588 -44.882 6.942 1.00 0.00 C ATOM 94 O LYS A 6 37.411 -44.642 6.059 1.00 0.00 O ATOM 95 CB LYS A 6 35.463 -42.817 7.883 1.00 0.00 C ATOM 96 CG LYS A 6 36.416 -41.820 7.219 1.00 0.00 C ATOM 97 CD LYS A 6 36.513 -40.513 8.011 1.00 0.00 C ATOM 98 CE LYS A 6 37.164 -40.692 9.385 1.00 0.00 C ATOM 99 NZ LYS A 6 38.567 -41.117 9.237 1.00 0.00 N ATOM 0 H LYS A 6 33.974 -44.691 8.574 1.00 0.00 H new ATOM 0 HA LYS A 6 35.035 -43.795 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.494 -42.344 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 6 35.849 -43.092 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.406 -42.267 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.072 -41.607 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.087 -39.788 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 6 35.513 -40.098 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 37.118 -39.756 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 6 36.612 -41.433 9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.056 -41.023 10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.598 -42.110 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.038 -40.519 8.528 1.00 0.00 H new ATOM 113 N LYS A 7 36.796 -45.844 7.836 1.00 0.00 N ATOM 114 CA LYS A 7 37.994 -46.685 7.732 1.00 0.00 C ATOM 115 C LYS A 7 37.793 -47.764 6.665 1.00 0.00 C ATOM 116 O LYS A 7 38.539 -47.830 5.688 1.00 0.00 O ATOM 117 CB LYS A 7 38.315 -47.320 9.089 1.00 0.00 C ATOM 118 CG LYS A 7 38.617 -46.263 10.152 1.00 0.00 C ATOM 119 CD LYS A 7 39.048 -46.922 11.460 1.00 0.00 C ATOM 120 CE LYS A 7 39.313 -45.868 12.536 1.00 0.00 C ATOM 121 NZ LYS A 7 39.726 -46.521 13.789 1.00 0.00 N ATOM 0 H LYS A 7 36.177 -46.060 8.617 1.00 0.00 H new ATOM 0 HA LYS A 7 38.837 -46.061 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.473 -47.931 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.171 -47.987 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.404 -45.598 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 7 37.733 -45.648 10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.272 -47.608 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 7 39.948 -47.514 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.090 -45.181 12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 7 38.414 -45.274 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 39.904 -45.798 14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 38.971 -47.159 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 40.595 -47.068 13.625 1.00 0.00 H new ATOM 135 N GLY A 8 36.787 -48.613 6.837 1.00 0.00 N ATOM 136 CA GLY A 8 36.503 -49.621 5.811 1.00 0.00 C ATOM 137 C GLY A 8 36.081 -50.945 6.439 1.00 0.00 C ATOM 138 O GLY A 8 36.913 -51.810 6.712 1.00 0.00 O ATOM 0 H GLY A 8 36.169 -48.630 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.713 -49.260 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.388 -49.774 5.194 1.00 0.00 H new ATOM 142 N GLY A 9 34.785 -51.134 6.651 1.00 0.00 N ATOM 143 CA GLY A 9 34.331 -52.426 7.176 1.00 0.00 C ATOM 144 C GLY A 9 32.811 -52.570 7.152 1.00 0.00 C ATOM 145 O GLY A 9 32.076 -51.705 6.676 1.00 0.00 O ATOM 0 H GLY A 9 34.053 -50.445 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.777 -53.229 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.687 -52.543 8.200 1.00 0.00 H new ATOM 149 N HIS A 10 32.339 -53.697 7.671 1.00 0.00 N ATOM 150 CA HIS A 10 30.895 -53.960 7.685 1.00 0.00 C ATOM 151 C HIS A 10 30.513 -54.571 9.036 1.00 0.00 C ATOM 152 O HIS A 10 31.308 -55.255 9.680 1.00 0.00 O ATOM 153 CB HIS A 10 30.574 -54.922 6.533 1.00 0.00 C ATOM 154 CG HIS A 10 29.091 -55.195 6.385 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.446 -56.305 6.902 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.187 -54.393 5.670 1.00 0.00 C ATOM 157 CE1 HIS A 10 27.174 -56.074 6.449 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.919 -54.952 5.704 1.00 0.00 N ATOM 0 H HIS A 10 32.915 -54.432 8.081 1.00 0.00 H new ATOM 0 HA HIS A 10 30.325 -53.041 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.956 -54.504 5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.097 -55.864 6.698 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.443 -53.473 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.380 -56.769 6.677 1.00 0.00 H new ATOM 0 HE2 HIS A 10 26.046 -54.623 5.292 1.00 0.00 H new ATOM 167 N CYS A 11 29.285 -54.325 9.474 1.00 0.00 N ATOM 168 CA CYS A 11 28.871 -54.811 10.796 1.00 0.00 C ATOM 169 C CYS A 11 28.437 -56.277 10.767 1.00 0.00 C ATOM 170 O CYS A 11 27.695 -56.723 9.891 1.00 0.00 O ATOM 171 CB CYS A 11 27.709 -53.956 11.300 1.00 0.00 C ATOM 172 SG CYS A 11 28.288 -52.298 11.686 1.00 0.00 S ATOM 0 H CYS A 11 28.573 -53.809 8.957 1.00 0.00 H new ATOM 0 HA CYS A 11 29.731 -54.734 11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.926 -53.910 10.543 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.269 -54.412 12.187 1.00 0.00 H new ATOM 177 N PHE A 12 28.881 -57.020 11.773 1.00 0.00 N ATOM 178 CA PHE A 12 28.434 -58.408 11.933 1.00 0.00 C ATOM 179 C PHE A 12 28.185 -58.667 13.424 1.00 0.00 C ATOM 180 O PHE A 12 28.900 -58.132 14.271 1.00 0.00 O ATOM 181 CB PHE A 12 29.530 -59.377 11.473 1.00 0.00 C ATOM 182 CG PHE A 12 29.822 -59.315 9.987 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.163 -60.128 9.132 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.789 -58.493 9.523 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.477 -60.125 7.819 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.100 -58.488 8.210 1.00 0.00 C ATOM 187 CZ PHE A 12 30.447 -59.308 7.357 1.00 0.00 C ATOM 0 H PHE A 12 29.539 -56.697 12.482 1.00 0.00 H new ATOM 0 HA PHE A 12 27.532 -58.561 11.340 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.446 -59.161 12.022 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.235 -60.394 11.733 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.385 -60.780 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.314 -57.839 10.204 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.951 -60.777 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.871 -57.828 7.841 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.701 -59.310 6.307 1.00 0.00 H new ATOM 197 N PRO A 13 27.223 -59.513 13.794 1.00 0.00 N ATOM 198 CA PRO A 13 27.036 -59.903 15.195 1.00 0.00 C ATOM 199 C PRO A 13 28.313 -60.475 15.815 1.00 0.00 C ATOM 200 O PRO A 13 29.136 -61.090 15.136 1.00 0.00 O ATOM 201 CB PRO A 13 25.939 -60.965 15.083 1.00 0.00 C ATOM 202 CG PRO A 13 25.202 -60.644 13.782 1.00 0.00 C ATOM 203 CD PRO A 13 26.288 -60.116 12.848 1.00 0.00 C ATOM 0 HA PRO A 13 26.780 -59.067 15.846 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.364 -61.969 15.058 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.264 -60.926 15.938 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.720 -61.531 13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.420 -59.901 13.941 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.751 -60.913 12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.898 -59.388 12.137 1.00 0.00 H new ATOM 211 N LYS A 14 28.498 -60.262 17.110 1.00 0.00 N ATOM 212 CA LYS A 14 29.759 -60.671 17.743 1.00 0.00 C ATOM 213 C LYS A 14 29.895 -62.192 17.852 1.00 0.00 C ATOM 214 O LYS A 14 30.957 -62.747 17.571 1.00 0.00 O ATOM 215 CB LYS A 14 29.850 -60.008 19.120 1.00 0.00 C ATOM 216 CG LYS A 14 31.154 -60.355 19.844 1.00 0.00 C ATOM 217 CD LYS A 14 31.281 -59.608 21.173 1.00 0.00 C ATOM 218 CE LYS A 14 30.216 -60.049 22.177 1.00 0.00 C ATOM 219 NZ LYS A 14 30.468 -59.401 23.475 1.00 0.00 N ATOM 0 H LYS A 14 27.820 -59.823 17.733 1.00 0.00 H new ATOM 0 HA LYS A 14 30.586 -60.342 17.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 29.776 -58.926 19.006 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.003 -60.323 19.730 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.195 -61.429 20.025 1.00 0.00 H new ATOM 0 HG3 LYS A 14 32.002 -60.107 19.205 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.271 -59.781 21.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 31.193 -58.536 20.997 1.00 0.00 H new ATOM 0 HE2 LYS A 14 29.224 -59.783 21.812 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.234 -61.133 22.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 29.744 -59.700 24.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.408 -59.676 23.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 30.430 -58.368 23.361 1.00 0.00 H new ATOM 233 N GLU A 15 28.840 -62.874 18.279 1.00 0.00 N ATOM 234 CA GLU A 15 28.948 -64.322 18.505 1.00 0.00 C ATOM 235 C GLU A 15 29.281 -65.115 17.234 1.00 0.00 C ATOM 236 O GLU A 15 29.972 -66.131 17.293 1.00 0.00 O ATOM 237 CB GLU A 15 27.660 -64.839 19.156 1.00 0.00 C ATOM 238 CG GLU A 15 26.439 -64.776 18.232 1.00 0.00 C ATOM 239 CD GLU A 15 25.214 -65.381 18.896 1.00 0.00 C ATOM 240 OE1 GLU A 15 25.000 -66.604 18.752 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.456 -64.638 19.555 1.00 0.00 O ATOM 0 H GLU A 15 27.924 -62.470 18.473 1.00 0.00 H new ATOM 0 HA GLU A 15 29.790 -64.481 19.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.812 -65.870 19.474 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.457 -64.255 20.054 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.236 -63.739 17.964 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.653 -65.308 17.305 1.00 0.00 H new ATOM 248 N LYS A 16 28.796 -64.672 16.080 1.00 0.00 N ATOM 249 CA LYS A 16 29.079 -65.412 14.846 1.00 0.00 C ATOM 250 C LYS A 16 30.469 -65.043 14.327 1.00 0.00 C ATOM 251 O LYS A 16 30.963 -63.931 14.519 1.00 0.00 O ATOM 252 CB LYS A 16 28.008 -65.124 13.788 1.00 0.00 C ATOM 253 CG LYS A 16 26.580 -65.365 14.292 1.00 0.00 C ATOM 254 CD LYS A 16 26.393 -66.765 14.881 1.00 0.00 C ATOM 255 CE LYS A 16 24.942 -66.977 15.311 1.00 0.00 C ATOM 256 NZ LYS A 16 24.806 -68.281 15.980 1.00 0.00 N ATOM 0 H LYS A 16 28.224 -63.835 15.967 1.00 0.00 H new ATOM 0 HA LYS A 16 29.059 -66.480 15.061 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.100 -64.089 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.190 -65.753 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.335 -64.620 15.049 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.879 -65.224 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.673 -67.517 14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.055 -66.897 15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.632 -66.178 15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.285 -66.933 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.901 -68.716 15.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.588 -68.902 15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.833 -68.147 17.011 1.00 0.00 H new ATOM 270 N ILE A 17 31.127 -66.000 13.691 1.00 0.00 N ATOM 271 CA ILE A 17 32.544 -65.807 13.366 1.00 0.00 C ATOM 272 C ILE A 17 32.714 -65.083 12.029 1.00 0.00 C ATOM 273 O ILE A 17 32.109 -65.429 11.013 1.00 0.00 O ATOM 274 CB ILE A 17 33.247 -67.174 13.356 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.085 -67.854 14.723 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.735 -67.007 13.031 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.714 -69.247 14.762 1.00 0.00 C ATOM 0 H ILE A 17 30.727 -66.890 13.395 1.00 0.00 H new ATOM 0 HA ILE A 17 33.003 -65.175 14.126 1.00 0.00 H new ATOM 0 HB ILE A 17 32.789 -67.797 12.588 1.00 0.00 H new ATOM 0 HG12 ILE A 17 33.542 -67.231 15.492 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.025 -67.931 14.964 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.219 -67.984 13.028 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.843 -66.545 12.050 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.203 -66.373 13.784 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.571 -69.683 15.751 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.240 -69.882 14.013 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.780 -69.171 14.550 1.00 0.00 H new ATOM 289 N CYS A 18 33.592 -64.090 12.032 1.00 0.00 N ATOM 290 CA CYS A 18 33.992 -63.458 10.771 1.00 0.00 C ATOM 291 C CYS A 18 34.993 -64.359 10.048 1.00 0.00 C ATOM 292 O CYS A 18 35.939 -64.877 10.641 1.00 0.00 O ATOM 293 CB CYS A 18 34.638 -62.106 11.079 1.00 0.00 C ATOM 294 SG CYS A 18 33.364 -60.874 11.401 1.00 0.00 S ATOM 0 H CYS A 18 34.035 -63.708 12.868 1.00 0.00 H new ATOM 0 HA CYS A 18 33.120 -63.310 10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.295 -62.196 11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.257 -61.790 10.240 1.00 0.00 H new ATOM 299 N LEU A 19 34.780 -64.557 8.754 1.00 0.00 N ATOM 300 CA LEU A 19 35.647 -65.472 8.003 1.00 0.00 C ATOM 301 C LEU A 19 36.049 -64.766 6.701 1.00 0.00 C ATOM 302 O LEU A 19 35.191 -64.493 5.862 1.00 0.00 O ATOM 303 CB LEU A 19 34.838 -66.752 7.749 1.00 0.00 C ATOM 304 CG LEU A 19 35.664 -67.992 7.382 1.00 0.00 C ATOM 305 CD1 LEU A 19 36.485 -67.804 6.106 1.00 0.00 C ATOM 306 CD2 LEU A 19 36.573 -68.387 8.546 1.00 0.00 C ATOM 0 H LEU A 19 34.039 -64.114 8.210 1.00 0.00 H new ATOM 0 HA LEU A 19 36.559 -65.738 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.255 -66.976 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.128 -66.559 6.945 1.00 0.00 H new ATOM 0 HG LEU A 19 34.955 -68.796 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.048 -68.714 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.817 -67.592 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.177 -66.972 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.153 -69.268 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.250 -67.564 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.965 -68.611 9.423 1.00 0.00 H new ATOM 318 N PRO A 20 37.322 -64.427 6.490 1.00 0.00 N ATOM 319 CA PRO A 20 38.426 -64.879 7.345 1.00 0.00 C ATOM 320 C PRO A 20 38.574 -64.032 8.614 1.00 0.00 C ATOM 321 O PRO A 20 38.113 -62.891 8.672 1.00 0.00 O ATOM 322 CB PRO A 20 39.625 -64.694 6.411 1.00 0.00 C ATOM 323 CG PRO A 20 39.224 -63.557 5.471 1.00 0.00 C ATOM 324 CD PRO A 20 37.729 -63.773 5.248 1.00 0.00 C ATOM 0 HA PRO A 20 38.294 -65.893 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 20 40.526 -64.444 6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 20 39.838 -65.608 5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 20 39.425 -62.582 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 20 39.778 -63.600 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 20 37.201 -62.832 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 20 37.534 -64.397 4.376 1.00 0.00 H new ATOM 332 N PRO A 21 39.223 -64.561 9.651 1.00 0.00 N ATOM 333 CA PRO A 21 39.290 -63.877 10.943 1.00 0.00 C ATOM 334 C PRO A 21 40.562 -63.033 11.055 1.00 0.00 C ATOM 335 O PRO A 21 41.302 -63.098 12.036 1.00 0.00 O ATOM 336 CB PRO A 21 39.346 -65.077 11.886 1.00 0.00 C ATOM 337 CG PRO A 21 40.154 -66.119 11.112 1.00 0.00 C ATOM 338 CD PRO A 21 39.689 -65.948 9.667 1.00 0.00 C ATOM 0 HA PRO A 21 38.474 -63.180 11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.826 -64.820 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.348 -65.443 12.125 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.226 -65.946 11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 21 39.959 -67.127 11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.499 -66.113 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 21 38.893 -66.647 9.410 1.00 0.00 H new ATOM 346 N SER A 22 40.828 -62.242 10.029 1.00 0.00 N ATOM 347 CA SER A 22 42.082 -61.482 9.996 1.00 0.00 C ATOM 348 C SER A 22 42.061 -60.292 10.956 1.00 0.00 C ATOM 349 O SER A 22 43.060 -60.000 11.615 1.00 0.00 O ATOM 350 CB SER A 22 42.342 -61.008 8.563 1.00 0.00 C ATOM 351 OG SER A 22 41.284 -60.172 8.110 1.00 0.00 O ATOM 0 H SER A 22 40.216 -62.106 9.224 1.00 0.00 H new ATOM 0 HA SER A 22 42.888 -62.138 10.325 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.286 -60.464 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 22 42.440 -61.869 7.902 1.00 0.00 H new ATOM 0 HG SER A 22 41.634 -59.521 7.466 1.00 0.00 H new ATOM 357 N SER A 23 40.944 -59.577 11.025 1.00 0.00 N ATOM 358 CA SER A 23 40.917 -58.352 11.827 1.00 0.00 C ATOM 359 C SER A 23 39.512 -58.128 12.386 1.00 0.00 C ATOM 360 O SER A 23 38.537 -58.000 11.644 1.00 0.00 O ATOM 361 CB SER A 23 41.348 -57.177 10.947 1.00 0.00 C ATOM 362 OG SER A 23 42.657 -57.407 10.440 1.00 0.00 O ATOM 0 H SER A 23 40.070 -59.810 10.554 1.00 0.00 H new ATOM 0 HA SER A 23 41.605 -58.439 12.668 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.646 -57.052 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.329 -56.253 11.524 1.00 0.00 H new ATOM 0 HG SER A 23 42.815 -56.826 9.666 1.00 0.00 H new ATOM 368 N ASP A 24 39.408 -58.086 13.708 1.00 0.00 N ATOM 369 CA ASP A 24 38.089 -57.949 14.339 1.00 0.00 C ATOM 370 C ASP A 24 38.010 -56.609 15.074 1.00 0.00 C ATOM 371 O ASP A 24 38.573 -56.425 16.153 1.00 0.00 O ATOM 372 CB ASP A 24 37.906 -59.142 15.287 1.00 0.00 C ATOM 373 CG ASP A 24 36.470 -59.320 15.757 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.966 -58.463 16.514 1.00 0.00 O ATOM 375 OD2 ASP A 24 35.839 -60.332 15.377 1.00 0.00 O ATOM 0 H ASP A 24 40.194 -58.143 14.355 1.00 0.00 H new ATOM 0 HA ASP A 24 37.286 -57.954 13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.232 -60.052 14.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.552 -59.010 16.155 1.00 0.00 H new ATOM 380 N PHE A 25 37.295 -55.663 14.481 1.00 0.00 N ATOM 381 CA PHE A 25 37.111 -54.361 15.133 1.00 0.00 C ATOM 382 C PHE A 25 36.029 -54.454 16.212 1.00 0.00 C ATOM 383 O PHE A 25 35.221 -55.382 16.249 1.00 0.00 O ATOM 384 CB PHE A 25 36.660 -53.327 14.100 1.00 0.00 C ATOM 385 CG PHE A 25 37.752 -52.876 13.148 1.00 0.00 C ATOM 386 CD1 PHE A 25 38.693 -51.996 13.558 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.738 -53.292 11.862 1.00 0.00 C ATOM 388 CE1 PHE A 25 39.632 -51.556 12.693 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.675 -52.847 10.997 1.00 0.00 C ATOM 390 CZ PHE A 25 39.624 -51.983 11.414 1.00 0.00 C ATOM 0 H PHE A 25 36.841 -55.761 13.573 1.00 0.00 H new ATOM 0 HA PHE A 25 38.060 -54.067 15.582 1.00 0.00 H new ATOM 0 HB2 PHE A 25 35.838 -53.746 13.519 1.00 0.00 H new ATOM 0 HB3 PHE A 25 36.268 -52.455 14.624 1.00 0.00 H new ATOM 0 HD1 PHE A 25 38.694 -51.644 14.579 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.977 -53.981 11.526 1.00 0.00 H new ATOM 0 HE1 PHE A 25 40.390 -50.862 13.026 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.665 -53.183 9.971 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.377 -51.634 10.723 1.00 0.00 H new ATOM 400 N GLY A 26 36.007 -53.470 17.101 1.00 0.00 N ATOM 401 CA GLY A 26 35.068 -53.529 18.224 1.00 0.00 C ATOM 402 C GLY A 26 33.795 -52.743 17.937 1.00 0.00 C ATOM 403 O GLY A 26 33.122 -52.948 16.927 1.00 0.00 O ATOM 0 H GLY A 26 36.606 -52.645 17.075 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.815 -54.569 18.432 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.546 -53.132 19.119 1.00 0.00 H new ATOM 407 N LYS A 27 33.448 -51.841 18.844 1.00 0.00 N ATOM 408 CA LYS A 27 32.218 -51.065 18.662 1.00 0.00 C ATOM 409 C LYS A 27 32.501 -49.899 17.719 1.00 0.00 C ATOM 410 O LYS A 27 33.001 -48.849 18.124 1.00 0.00 O ATOM 411 CB LYS A 27 31.736 -50.525 20.012 1.00 0.00 C ATOM 412 CG LYS A 27 31.311 -51.636 20.976 1.00 0.00 C ATOM 413 CD LYS A 27 31.001 -51.046 22.354 1.00 0.00 C ATOM 414 CE LYS A 27 30.596 -52.116 23.371 1.00 0.00 C ATOM 415 NZ LYS A 27 31.693 -53.077 23.579 1.00 0.00 N ATOM 0 H LYS A 27 33.978 -51.628 19.689 1.00 0.00 H new ATOM 0 HA LYS A 27 31.444 -51.705 18.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.533 -49.938 20.469 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.896 -49.850 19.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.433 -52.150 20.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.104 -52.379 21.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.877 -50.512 22.723 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.198 -50.315 22.261 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.334 -51.644 24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.707 -52.641 23.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.484 -53.668 24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.789 -53.682 22.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.582 -52.560 23.737 1.00 0.00 H new ATOM 429 N MET A 28 32.185 -50.087 16.447 1.00 0.00 N ATOM 430 CA MET A 28 32.470 -49.039 15.465 1.00 0.00 C ATOM 431 C MET A 28 31.140 -48.404 15.038 1.00 0.00 C ATOM 432 O MET A 28 30.431 -47.826 15.862 1.00 0.00 O ATOM 433 CB MET A 28 33.250 -49.661 14.303 1.00 0.00 C ATOM 434 CG MET A 28 34.561 -50.326 14.721 1.00 0.00 C ATOM 435 SD MET A 28 35.409 -50.886 13.235 1.00 0.00 S ATOM 436 CE MET A 28 36.272 -49.377 12.779 1.00 0.00 C ATOM 0 H MET A 28 31.744 -50.927 16.073 1.00 0.00 H new ATOM 0 HA MET A 28 33.091 -48.243 15.877 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.620 -50.401 13.811 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.466 -48.886 13.567 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.185 -49.622 15.272 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.365 -51.167 15.386 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.764 -49.516 11.817 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.557 -48.557 12.706 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.018 -49.141 13.538 1.00 0.00 H new ATOM 446 N ASP A 29 30.760 -48.531 13.771 1.00 0.00 N ATOM 447 CA ASP A 29 29.400 -48.134 13.375 1.00 0.00 C ATOM 448 C ASP A 29 28.470 -49.346 13.489 1.00 0.00 C ATOM 449 O ASP A 29 27.781 -49.720 12.540 1.00 0.00 O ATOM 450 CB ASP A 29 29.400 -47.620 11.931 1.00 0.00 C ATOM 451 CG ASP A 29 30.106 -46.283 11.775 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.780 -45.336 12.523 1.00 0.00 O ATOM 453 OD2 ASP A 29 30.970 -46.161 10.880 1.00 0.00 O ATOM 0 H ASP A 29 31.346 -48.892 13.018 1.00 0.00 H new ATOM 0 HA ASP A 29 29.051 -47.337 14.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.883 -48.357 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 28.371 -47.523 11.586 1.00 0.00 H new ATOM 458 N CYS A 30 28.455 -49.978 14.655 1.00 0.00 N ATOM 459 CA CYS A 30 27.693 -51.222 14.798 1.00 0.00 C ATOM 460 C CYS A 30 26.894 -51.222 16.102 1.00 0.00 C ATOM 461 O CYS A 30 27.039 -50.347 16.956 1.00 0.00 O ATOM 462 CB CYS A 30 28.688 -52.384 14.770 1.00 0.00 C ATOM 463 SG CYS A 30 29.584 -52.396 13.206 1.00 0.00 S ATOM 0 H CYS A 30 28.944 -49.667 15.495 1.00 0.00 H new ATOM 0 HA CYS A 30 26.976 -51.321 13.983 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.390 -52.292 15.599 1.00 0.00 H new ATOM 0 HB3 CYS A 30 28.160 -53.328 14.903 1.00 0.00 H new ATOM 468 N ARG A 31 26.039 -52.224 16.260 1.00 0.00 N ATOM 469 CA ARG A 31 25.238 -52.327 17.485 1.00 0.00 C ATOM 470 C ARG A 31 26.143 -52.561 18.702 1.00 0.00 C ATOM 471 O ARG A 31 27.327 -52.875 18.576 1.00 0.00 O ATOM 472 CB ARG A 31 24.247 -53.478 17.272 1.00 0.00 C ATOM 473 CG ARG A 31 23.157 -53.526 18.342 1.00 0.00 C ATOM 474 CD ARG A 31 22.176 -54.666 18.067 1.00 0.00 C ATOM 475 NE ARG A 31 21.113 -54.667 19.079 1.00 0.00 N ATOM 476 CZ ARG A 31 20.019 -53.931 18.916 1.00 0.00 C ATOM 477 NH1 ARG A 31 19.859 -53.168 17.850 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.077 -53.962 19.837 1.00 0.00 N ATOM 0 H ARG A 31 25.880 -52.964 15.576 1.00 0.00 H new ATOM 0 HA ARG A 31 24.695 -51.403 17.685 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.783 -53.375 16.291 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.790 -54.423 17.270 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.611 -53.660 19.324 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.621 -52.577 18.365 1.00 0.00 H new ATOM 0 HD2 ARG A 31 21.743 -54.553 17.073 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.702 -55.621 18.079 1.00 0.00 H new ATOM 0 HE ARG A 31 21.215 -55.239 19.917 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.583 -53.136 17.132 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.011 -52.611 17.744 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.192 -54.547 20.665 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.233 -53.401 19.722 1.00 0.00 H new ATOM 492 N TRP A 32 25.588 -52.391 19.895 1.00 0.00 N ATOM 493 CA TRP A 32 26.402 -52.483 21.112 1.00 0.00 C ATOM 494 C TRP A 32 27.167 -53.807 21.217 1.00 0.00 C ATOM 495 O TRP A 32 28.381 -53.823 21.418 1.00 0.00 O ATOM 496 CB TRP A 32 25.460 -52.274 22.302 1.00 0.00 C ATOM 497 CG TRP A 32 26.192 -52.200 23.626 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.060 -53.089 24.694 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.058 -51.225 24.051 1.00 0.00 C ATOM 500 NE1 TRP A 32 26.847 -52.680 25.780 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.442 -51.510 25.330 1.00 0.00 C ATOM 502 CE3 TRP A 32 27.501 -50.130 23.407 1.00 0.00 C ATOM 503 CZ2 TRP A 32 28.281 -50.689 25.994 1.00 0.00 C ATOM 504 CZ3 TRP A 32 28.349 -49.306 24.074 1.00 0.00 C ATOM 505 CH2 TRP A 32 28.731 -49.582 25.352 1.00 0.00 C ATOM 0 H TRP A 32 24.600 -52.193 20.051 1.00 0.00 H new ATOM 0 HA TRP A 32 27.176 -51.716 21.094 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.894 -51.355 22.154 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.739 -53.091 22.336 1.00 0.00 H new ATOM 0 HD1 TRP A 32 25.437 -53.971 24.685 1.00 0.00 H new ATOM 0 HE1 TRP A 32 26.956 -53.135 26.686 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.193 -49.914 22.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 28.586 -50.906 27.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 28.726 -48.420 23.585 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.403 -48.908 25.863 1.00 0.00 H new ATOM 516 N ARG A 33 26.468 -54.923 21.077 1.00 0.00 N ATOM 517 CA ARG A 33 27.148 -56.223 21.155 1.00 0.00 C ATOM 518 C ARG A 33 27.514 -56.777 19.772 1.00 0.00 C ATOM 519 O ARG A 33 27.690 -57.984 19.611 1.00 0.00 O ATOM 520 CB ARG A 33 26.242 -57.214 21.892 1.00 0.00 C ATOM 521 CG ARG A 33 26.047 -56.808 23.355 1.00 0.00 C ATOM 522 CD ARG A 33 25.151 -57.809 24.080 1.00 0.00 C ATOM 523 NE ARG A 33 25.022 -57.424 25.489 1.00 0.00 N ATOM 524 CZ ARG A 33 24.308 -58.164 26.326 1.00 0.00 C ATOM 525 NH1 ARG A 33 23.698 -59.262 25.918 1.00 0.00 N ATOM 526 NH2 ARG A 33 24.207 -57.799 27.588 1.00 0.00 N ATOM 0 H ARG A 33 25.462 -54.966 20.914 1.00 0.00 H new ATOM 0 HA ARG A 33 28.083 -56.082 21.697 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.274 -57.264 21.394 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.677 -58.212 21.844 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.015 -56.751 23.854 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.604 -55.813 23.405 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.168 -57.840 23.610 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.572 -58.811 24.004 1.00 0.00 H new ATOM 0 HE ARG A 33 25.485 -56.581 25.828 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.772 -59.554 24.944 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.153 -59.818 26.577 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.676 -56.954 27.913 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.660 -58.362 28.239 1.00 0.00 H new ATOM 540 N TRP A 34 27.660 -55.917 18.771 1.00 0.00 N ATOM 541 CA TRP A 34 28.122 -56.389 17.459 1.00 0.00 C ATOM 542 C TRP A 34 29.527 -55.842 17.205 1.00 0.00 C ATOM 543 O TRP A 34 30.162 -55.240 18.072 1.00 0.00 O ATOM 544 CB TRP A 34 27.152 -55.937 16.360 1.00 0.00 C ATOM 545 CG TRP A 34 25.810 -56.646 16.380 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.308 -57.552 17.324 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.827 -56.517 15.432 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.020 -57.972 16.973 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.767 -57.300 15.788 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.813 -55.778 14.306 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.661 -57.349 15.021 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.699 -55.828 13.534 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.637 -56.604 13.887 1.00 0.00 C ATOM 0 H TRP A 34 27.473 -54.916 18.831 1.00 0.00 H new ATOM 0 HA TRP A 34 28.153 -57.478 17.447 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.984 -54.864 16.458 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.621 -56.099 15.389 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.842 -57.881 18.203 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.411 -58.620 17.472 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.659 -55.167 14.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.818 -57.963 15.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.653 -55.244 12.627 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.762 -56.627 13.254 1.00 0.00 H new ATOM 564 N LYS A 35 30.039 -56.085 16.008 1.00 0.00 N ATOM 565 CA LYS A 35 31.435 -55.739 15.726 1.00 0.00 C ATOM 566 C LYS A 35 31.607 -55.400 14.246 1.00 0.00 C ATOM 567 O LYS A 35 30.740 -55.684 13.419 1.00 0.00 O ATOM 568 CB LYS A 35 32.311 -56.942 16.094 1.00 0.00 C ATOM 569 CG LYS A 35 31.879 -58.224 15.374 1.00 0.00 C ATOM 570 CD LYS A 35 32.868 -59.346 15.666 1.00 0.00 C ATOM 571 CE LYS A 35 32.472 -60.641 14.960 1.00 0.00 C ATOM 572 NZ LYS A 35 33.446 -61.689 15.303 1.00 0.00 N ATOM 0 H LYS A 35 29.531 -56.508 15.232 1.00 0.00 H new ATOM 0 HA LYS A 35 31.728 -54.867 16.311 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.349 -56.721 15.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.269 -57.102 17.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 30.880 -58.515 15.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.825 -58.047 14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 33.865 -59.046 15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.918 -59.517 16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 35 31.470 -60.944 15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.446 -60.489 13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 33.413 -62.442 14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.401 -61.279 15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.213 -62.088 16.235 1.00 0.00 H new ATOM 586 N CYS A 36 32.745 -54.815 13.892 1.00 0.00 N ATOM 587 CA CYS A 36 33.015 -54.566 12.472 1.00 0.00 C ATOM 588 C CYS A 36 34.162 -55.469 12.012 1.00 0.00 C ATOM 589 O CYS A 36 35.128 -55.700 12.738 1.00 0.00 O ATOM 590 CB CYS A 36 33.343 -53.084 12.274 1.00 0.00 C ATOM 591 SG CYS A 36 32.834 -52.559 10.629 1.00 0.00 S ATOM 0 H CYS A 36 33.475 -54.512 14.537 1.00 0.00 H new ATOM 0 HA CYS A 36 32.139 -54.800 11.867 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.834 -52.486 13.030 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.413 -52.919 12.403 1.00 0.00 H new ATOM 596 N CYS A 37 34.062 -56.007 10.806 1.00 0.00 N ATOM 597 CA CYS A 37 35.119 -56.906 10.323 1.00 0.00 C ATOM 598 C CYS A 37 35.736 -56.366 9.034 1.00 0.00 C ATOM 599 O CYS A 37 35.108 -55.645 8.259 1.00 0.00 O ATOM 600 CB CYS A 37 34.535 -58.301 10.102 1.00 0.00 C ATOM 601 SG CYS A 37 34.225 -59.089 11.692 1.00 0.00 S ATOM 0 H CYS A 37 33.291 -55.850 10.157 1.00 0.00 H new ATOM 0 HA CYS A 37 35.910 -56.966 11.071 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.608 -58.232 9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 37 35.225 -58.906 9.514 1.00 0.00 H new ATOM 606 N LYS A 38 36.996 -56.721 8.816 1.00 0.00 N ATOM 607 CA LYS A 38 37.710 -56.214 7.640 1.00 0.00 C ATOM 608 C LYS A 38 38.726 -57.265 7.188 1.00 0.00 C ATOM 609 O LYS A 38 39.519 -57.772 7.982 1.00 0.00 O ATOM 610 CB LYS A 38 38.430 -54.923 8.040 1.00 0.00 C ATOM 611 CG LYS A 38 39.151 -54.257 6.864 1.00 0.00 C ATOM 612 CD LYS A 38 40.156 -53.198 7.330 1.00 0.00 C ATOM 613 CE LYS A 38 41.388 -53.839 7.977 1.00 0.00 C ATOM 614 NZ LYS A 38 42.374 -52.814 8.361 1.00 0.00 N ATOM 0 H LYS A 38 37.538 -57.342 9.418 1.00 0.00 H new ATOM 0 HA LYS A 38 37.020 -56.012 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.707 -54.224 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.153 -55.144 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.670 -55.017 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.417 -53.794 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.465 -52.590 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 38 39.676 -52.528 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.087 -54.408 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.843 -54.545 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.335 -53.190 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.247 -51.970 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.237 -52.557 9.359 1.00 0.00 H new ATOM 628 N LYS A 39 38.740 -57.572 5.898 1.00 0.00 N ATOM 629 CA LYS A 39 39.775 -58.476 5.385 1.00 0.00 C ATOM 630 C LYS A 39 41.092 -57.721 5.170 1.00 0.00 C ATOM 631 O LYS A 39 41.162 -56.496 5.270 1.00 0.00 O ATOM 632 CB LYS A 39 39.291 -59.124 4.081 1.00 0.00 C ATOM 633 CG LYS A 39 39.075 -58.116 2.945 1.00 0.00 C ATOM 634 CD LYS A 39 38.874 -58.855 1.622 1.00 0.00 C ATOM 635 CE LYS A 39 38.710 -57.888 0.448 1.00 0.00 C ATOM 636 NZ LYS A 39 38.649 -58.635 -0.822 1.00 0.00 N ATOM 0 H LYS A 39 38.076 -57.227 5.205 1.00 0.00 H new ATOM 0 HA LYS A 39 39.960 -59.261 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 39 40.019 -59.870 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 39 38.357 -59.652 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 39 38.206 -57.494 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 39 39.934 -57.449 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 39 39.727 -59.508 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 37.993 -59.493 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.802 -57.300 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 39 39.544 -57.186 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.538 -57.968 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 39.527 -59.178 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.839 -59.287 -0.803 1.00 0.00 H new ATOM 650 N GLY A 40 42.150 -58.453 4.848 1.00 0.00 N ATOM 651 CA GLY A 40 43.410 -57.794 4.496 1.00 0.00 C ATOM 652 C GLY A 40 44.540 -58.150 5.454 1.00 0.00 C ATOM 653 O GLY A 40 44.450 -59.061 6.277 1.00 0.00 O ATOM 0 H GLY A 40 42.169 -59.472 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 40 43.694 -58.077 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 40 43.264 -56.714 4.496 1.00 0.00 H new ATOM 657 N SER A 41 45.632 -57.413 5.320 1.00 0.00 N ATOM 658 CA SER A 41 46.822 -57.701 6.128 1.00 0.00 C ATOM 659 C SER A 41 46.817 -56.904 7.437 1.00 0.00 C ATOM 660 O SER A 41 47.781 -56.214 7.773 1.00 0.00 O ATOM 661 CB SER A 41 48.053 -57.363 5.278 1.00 0.00 C ATOM 662 OG SER A 41 48.062 -55.981 4.944 1.00 0.00 O ATOM 0 H SER A 41 45.726 -56.627 4.677 1.00 0.00 H new ATOM 0 HA SER A 41 46.835 -58.754 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 41 48.961 -57.617 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 41 48.050 -57.963 4.368 1.00 0.00 H new ATOM 0 HG SER A 41 48.854 -55.780 4.403 1.00 0.00 H new ATOM 668 N GLY A 42 45.734 -57.008 8.197 1.00 0.00 N ATOM 669 CA GLY A 42 45.650 -56.266 9.459 1.00 0.00 C ATOM 670 C GLY A 42 44.674 -55.102 9.338 1.00 0.00 C ATOM 671 O GLY A 42 43.458 -55.313 9.535 1.00 0.00 O ATOM 672 OXT GLY A 42 45.115 -53.967 9.053 1.00 0.00 O ATOM 0 H GLY A 42 44.920 -57.581 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 42 45.329 -56.934 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 46.637 -55.892 9.733 1.00 0.00 H new TER 676 GLY A 42