USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD Set 1.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0.421 K(o=0.42,f=-2.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc=-0.00167 (180deg=-0.314) USER MOD Single : A 32 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -0.236 (180deg=-1.07) USER MOD Single : A 38 THR OG1 : rot -101:sc= 0.934 USER MOD Single : A 41 THR OG1 : rot -7:sc= 0.778 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0595 (180deg=-0.442) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -4.34! C(o=-4.3!,f=-6.2!) USER MOD Single : A 56 ASN : amide:sc= -0.0411 K(o=-0.041,f=-1.8!) USER MOD Single : A 60 ASN : amide:sc= -0.878 K(o=-0.88,f=-0.013) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -22:sc= 0.695 USER MOD Single : A 69 SER OG : rot 73:sc= 0.00109 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.0296 (180deg=-0.411) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 49.505 -7.270 21.660 1.00 1.00 N ATOM 2 CA MET A 11 49.478 -6.744 20.266 1.00 1.00 C ATOM 3 C MET A 11 49.714 -7.889 19.287 1.00 1.00 C ATOM 4 O MET A 11 50.096 -7.663 18.140 1.00 1.00 O ATOM 5 CB MET A 11 50.568 -5.670 20.095 1.00 1.00 C ATOM 6 CG MET A 11 51.904 -6.171 20.673 1.00 1.00 C ATOM 7 SD MET A 11 51.881 -5.998 22.477 1.00 1.00 S ATOM 8 CE MET A 11 53.105 -7.275 22.859 1.00 1.00 C ATOM 0 HA MET A 11 48.505 -6.295 20.065 1.00 1.00 H new ATOM 0 HB2 MET A 11 50.688 -5.428 19.039 1.00 1.00 H new ATOM 0 HB3 MET A 11 50.267 -4.752 20.600 1.00 1.00 H new ATOM 0 HG2 MET A 11 52.064 -7.214 20.399 1.00 1.00 H new ATOM 0 HG3 MET A 11 52.732 -5.600 20.252 1.00 1.00 H new ATOM 0 HE1 MET A 11 53.244 -7.335 23.938 1.00 1.00 H new ATOM 0 HE2 MET A 11 52.756 -8.237 22.484 1.00 1.00 H new ATOM 0 HE3 MET A 11 54.054 -7.023 22.385 1.00 1.00 H new ATOM 18 N THR A 12 49.483 -9.116 19.743 1.00 1.00 N ATOM 19 CA THR A 12 49.671 -10.289 18.896 1.00 1.00 C ATOM 20 C THR A 12 48.589 -10.344 17.826 1.00 1.00 C ATOM 21 O THR A 12 47.420 -10.075 18.097 1.00 1.00 O ATOM 22 CB THR A 12 49.612 -11.560 19.748 1.00 1.00 C ATOM 23 OG1 THR A 12 48.373 -11.606 20.441 1.00 1.00 O ATOM 24 CG2 THR A 12 50.763 -11.554 20.753 1.00 1.00 C ATOM 0 H THR A 12 49.167 -9.324 20.690 1.00 1.00 H new ATOM 0 HA THR A 12 50.646 -10.220 18.414 1.00 1.00 H new ATOM 0 HB THR A 12 49.700 -12.435 19.105 1.00 1.00 H new ATOM 0 HG1 THR A 12 48.333 -12.420 20.986 1.00 1.00 H new ATOM 0 HG21 THR A 12 50.721 -12.459 21.360 1.00 1.00 H new ATOM 0 HG22 THR A 12 51.712 -11.519 20.219 1.00 1.00 H new ATOM 0 HG23 THR A 12 50.678 -10.680 21.399 1.00 1.00 H new ATOM 32 N HIS A 13 48.979 -10.697 16.606 1.00 1.00 N ATOM 33 CA HIS A 13 48.038 -10.782 15.497 1.00 1.00 C ATOM 34 C HIS A 13 47.135 -11.999 15.651 1.00 1.00 C ATOM 35 O HIS A 13 46.082 -12.092 15.018 1.00 1.00 O ATOM 36 CB HIS A 13 48.803 -10.870 14.175 1.00 1.00 C ATOM 37 CG HIS A 13 49.680 -12.092 14.181 1.00 1.00 C ATOM 38 ND1 HIS A 13 50.911 -12.115 14.818 1.00 1.00 N ATOM 39 CD2 HIS A 13 49.518 -13.341 13.634 1.00 1.00 C ATOM 40 CE1 HIS A 13 51.436 -13.341 14.642 1.00 1.00 C ATOM 41 NE2 HIS A 13 50.627 -14.128 13.927 1.00 1.00 N ATOM 0 H HIS A 13 49.941 -10.929 16.361 1.00 1.00 H new ATOM 0 HA HIS A 13 47.417 -9.886 15.499 1.00 1.00 H new ATOM 0 HB2 HIS A 13 48.103 -10.916 13.340 1.00 1.00 H new ATOM 0 HB3 HIS A 13 49.409 -9.975 14.034 1.00 1.00 H new ATOM 0 HD2 HIS A 13 48.660 -13.663 13.063 1.00 1.00 H new ATOM 0 HE1 HIS A 13 52.394 -13.651 15.031 1.00 1.00 H new ATOM 0 HE2 HIS A 13 50.788 -15.098 13.655 1.00 1.00 H new ATOM 50 N SER A 14 47.533 -12.944 16.497 1.00 1.00 N ATOM 51 CA SER A 14 46.765 -14.160 16.726 1.00 1.00 C ATOM 52 C SER A 14 45.358 -13.854 17.223 1.00 1.00 C ATOM 53 O SER A 14 44.406 -14.537 16.844 1.00 1.00 O ATOM 54 CB SER A 14 47.484 -15.053 17.736 1.00 1.00 C ATOM 55 OG SER A 14 48.753 -15.424 17.214 1.00 1.00 O ATOM 0 H SER A 14 48.394 -12.888 17.041 1.00 1.00 H new ATOM 0 HA SER A 14 46.680 -14.679 15.771 1.00 1.00 H new ATOM 0 HB2 SER A 14 47.607 -14.526 18.682 1.00 1.00 H new ATOM 0 HB3 SER A 14 46.888 -15.942 17.942 1.00 1.00 H new ATOM 0 HG SER A 14 49.218 -15.996 17.860 1.00 1.00 H new ATOM 61 N ASP A 15 45.203 -12.841 18.068 1.00 1.00 N ATOM 62 CA ASP A 15 43.892 -12.479 18.596 1.00 1.00 C ATOM 63 C ASP A 15 43.012 -11.879 17.504 1.00 1.00 C ATOM 64 O ASP A 15 41.833 -12.216 17.400 1.00 1.00 O ATOM 65 CB ASP A 15 44.042 -11.490 19.757 1.00 1.00 C ATOM 66 CG ASP A 15 42.670 -11.078 20.293 1.00 1.00 C ATOM 67 OD1 ASP A 15 41.691 -11.697 19.906 1.00 1.00 O ATOM 68 OD2 ASP A 15 42.620 -10.149 21.082 1.00 1.00 O ATOM 0 H ASP A 15 45.969 -12.256 18.402 1.00 1.00 H new ATOM 0 HA ASP A 15 43.411 -13.386 18.963 1.00 1.00 H new ATOM 0 HB2 ASP A 15 44.629 -11.944 20.555 1.00 1.00 H new ATOM 0 HB3 ASP A 15 44.588 -10.608 19.422 1.00 1.00 H new ATOM 73 N LYS A 16 43.571 -10.993 16.684 1.00 1.00 N ATOM 74 CA LYS A 16 42.849 -10.339 15.584 1.00 1.00 C ATOM 75 C LYS A 16 43.682 -10.406 14.293 1.00 1.00 C ATOM 76 O LYS A 16 44.200 -9.391 13.828 1.00 1.00 O ATOM 77 CB LYS A 16 42.532 -8.870 15.940 1.00 1.00 C ATOM 78 CG LYS A 16 43.760 -8.194 16.574 1.00 1.00 C ATOM 79 CD LYS A 16 43.553 -6.667 16.652 1.00 1.00 C ATOM 80 CE LYS A 16 42.434 -6.319 17.650 1.00 1.00 C ATOM 81 NZ LYS A 16 42.494 -4.862 17.968 1.00 1.00 N ATOM 0 H LYS A 16 44.546 -10.703 16.761 1.00 1.00 H new ATOM 0 HA LYS A 16 41.908 -10.865 15.425 1.00 1.00 H new ATOM 0 HB2 LYS A 16 42.234 -8.328 15.043 1.00 1.00 H new ATOM 0 HB3 LYS A 16 41.690 -8.830 16.631 1.00 1.00 H new ATOM 0 HG2 LYS A 16 43.929 -8.596 17.573 1.00 1.00 H new ATOM 0 HG3 LYS A 16 44.650 -8.417 15.986 1.00 1.00 H new ATOM 0 HD2 LYS A 16 44.482 -6.184 16.957 1.00 1.00 H new ATOM 0 HD3 LYS A 16 43.301 -6.278 15.665 1.00 1.00 H new ATOM 0 HE2 LYS A 16 41.462 -6.571 17.227 1.00 1.00 H new ATOM 0 HE3 LYS A 16 42.547 -6.907 18.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 41.739 -4.622 18.642 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 43.418 -4.636 18.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 42.366 -4.311 17.095 1.00 1.00 H new ATOM 95 N PRO A 17 43.821 -11.563 13.708 1.00 1.00 N ATOM 96 CA PRO A 17 44.612 -11.731 12.454 1.00 1.00 C ATOM 97 C PRO A 17 43.829 -11.290 11.217 1.00 1.00 C ATOM 98 O PRO A 17 44.403 -11.092 10.146 1.00 1.00 O ATOM 99 CB PRO A 17 44.940 -13.238 12.440 1.00 1.00 C ATOM 100 CG PRO A 17 43.797 -13.893 13.168 1.00 1.00 C ATOM 101 CD PRO A 17 43.245 -12.845 14.164 1.00 1.00 C ATOM 0 HA PRO A 17 45.507 -11.109 12.430 1.00 1.00 H new ATOM 0 HB2 PRO A 17 45.025 -13.614 11.420 1.00 1.00 H new ATOM 0 HB3 PRO A 17 45.890 -13.440 12.935 1.00 1.00 H new ATOM 0 HG2 PRO A 17 43.022 -14.208 12.469 1.00 1.00 H new ATOM 0 HG3 PRO A 17 44.134 -14.786 13.694 1.00 1.00 H new ATOM 0 HD2 PRO A 17 42.155 -12.818 14.149 1.00 1.00 H new ATOM 0 HD3 PRO A 17 43.544 -13.073 15.187 1.00 1.00 H new ATOM 109 N TYR A 18 42.518 -11.133 11.367 1.00 1.00 N ATOM 110 CA TYR A 18 41.662 -10.717 10.243 1.00 1.00 C ATOM 111 C TYR A 18 41.156 -9.300 10.448 1.00 1.00 C ATOM 112 O TYR A 18 40.363 -9.029 11.351 1.00 1.00 O ATOM 113 CB TYR A 18 40.470 -11.670 10.120 1.00 1.00 C ATOM 114 CG TYR A 18 40.980 -13.076 9.866 1.00 1.00 C ATOM 115 CD1 TYR A 18 41.529 -13.403 8.620 1.00 1.00 C ATOM 116 CD2 TYR A 18 40.914 -14.049 10.874 1.00 1.00 C ATOM 117 CE1 TYR A 18 42.009 -14.696 8.381 1.00 1.00 C ATOM 118 CE2 TYR A 18 41.395 -15.341 10.636 1.00 1.00 C ATOM 119 CZ TYR A 18 41.943 -15.666 9.390 1.00 1.00 C ATOM 120 OH TYR A 18 42.417 -16.940 9.155 1.00 1.00 O ATOM 0 H TYR A 18 42.021 -11.284 12.245 1.00 1.00 H new ATOM 0 HA TYR A 18 42.255 -10.749 9.329 1.00 1.00 H new ATOM 0 HB2 TYR A 18 39.874 -11.646 11.032 1.00 1.00 H new ATOM 0 HB3 TYR A 18 39.819 -11.354 9.305 1.00 1.00 H new ATOM 0 HD1 TYR A 18 41.582 -12.656 7.842 1.00 1.00 H new ATOM 0 HD2 TYR A 18 40.491 -13.800 11.836 1.00 1.00 H new ATOM 0 HE1 TYR A 18 42.430 -14.946 7.419 1.00 1.00 H new ATOM 0 HE2 TYR A 18 41.343 -16.088 11.414 1.00 1.00 H new ATOM 0 HH TYR A 18 42.297 -17.487 9.959 1.00 1.00 H new ATOM 130 N LYS A 19 41.606 -8.381 9.599 1.00 1.00 N ATOM 131 CA LYS A 19 41.188 -6.983 9.689 1.00 1.00 C ATOM 132 C LYS A 19 40.980 -6.418 8.295 1.00 1.00 C ATOM 133 O LYS A 19 41.692 -6.754 7.349 1.00 1.00 O ATOM 134 CB LYS A 19 42.243 -6.167 10.446 1.00 1.00 C ATOM 135 CG LYS A 19 43.613 -6.326 9.776 1.00 1.00 C ATOM 136 CD LYS A 19 44.665 -5.465 10.501 1.00 1.00 C ATOM 137 CE LYS A 19 44.989 -6.039 11.891 1.00 1.00 C ATOM 138 NZ LYS A 19 46.276 -5.461 12.366 1.00 1.00 N ATOM 0 H LYS A 19 42.260 -8.577 8.841 1.00 1.00 H new ATOM 0 HA LYS A 19 40.247 -6.924 10.236 1.00 1.00 H new ATOM 0 HB2 LYS A 19 41.957 -5.115 10.462 1.00 1.00 H new ATOM 0 HB3 LYS A 19 42.296 -6.499 11.483 1.00 1.00 H new ATOM 0 HG2 LYS A 19 43.915 -7.373 9.794 1.00 1.00 H new ATOM 0 HG3 LYS A 19 43.550 -6.030 8.729 1.00 1.00 H new ATOM 0 HD2 LYS A 19 45.575 -5.417 9.903 1.00 1.00 H new ATOM 0 HD3 LYS A 19 44.296 -4.444 10.603 1.00 1.00 H new ATOM 0 HE2 LYS A 19 44.189 -5.802 12.592 1.00 1.00 H new ATOM 0 HE3 LYS A 19 45.059 -7.126 11.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 46.503 -5.844 13.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 47.035 -5.708 11.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 46.191 -4.426 12.425 1.00 1.00 H new ATOM 152 N CYS A 20 39.984 -5.549 8.155 1.00 1.00 N ATOM 153 CA CYS A 20 39.673 -4.964 6.863 1.00 1.00 C ATOM 154 C CYS A 20 40.729 -3.939 6.460 1.00 1.00 C ATOM 155 O CYS A 20 40.848 -2.873 7.063 1.00 1.00 O ATOM 156 CB CYS A 20 38.293 -4.311 6.939 1.00 1.00 C ATOM 157 SG CYS A 20 37.680 -3.973 5.272 1.00 1.00 S ATOM 0 H CYS A 20 39.383 -5.238 8.918 1.00 1.00 H new ATOM 0 HA CYS A 20 39.669 -5.746 6.104 1.00 1.00 H new ATOM 0 HB2 CYS A 20 37.599 -4.967 7.465 1.00 1.00 H new ATOM 0 HB3 CYS A 20 38.350 -3.384 7.510 1.00 1.00 H new ATOM 162 N ASP A 21 41.493 -4.268 5.424 1.00 1.00 N ATOM 163 CA ASP A 21 42.536 -3.369 4.938 1.00 1.00 C ATOM 164 C ASP A 21 41.911 -2.084 4.398 1.00 1.00 C ATOM 165 O ASP A 21 42.570 -1.053 4.255 1.00 1.00 O ATOM 166 CB ASP A 21 43.346 -4.060 3.833 1.00 1.00 C ATOM 167 CG ASP A 21 44.586 -3.239 3.480 1.00 1.00 C ATOM 168 OD1 ASP A 21 44.713 -2.138 3.989 1.00 1.00 O ATOM 169 OD2 ASP A 21 45.395 -3.729 2.709 1.00 1.00 O ATOM 0 H ASP A 21 41.412 -5.144 4.907 1.00 1.00 H new ATOM 0 HA ASP A 21 43.201 -3.118 5.765 1.00 1.00 H new ATOM 0 HB2 ASP A 21 43.644 -5.056 4.162 1.00 1.00 H new ATOM 0 HB3 ASP A 21 42.725 -4.190 2.947 1.00 1.00 H new ATOM 174 N ARG A 22 40.619 -2.134 4.094 1.00 1.00 N ATOM 175 CA ARG A 22 39.909 -0.974 3.564 1.00 1.00 C ATOM 176 C ARG A 22 39.828 0.129 4.619 1.00 1.00 C ATOM 177 O ARG A 22 39.902 1.317 4.303 1.00 1.00 O ATOM 178 CB ARG A 22 38.491 -1.376 3.134 1.00 1.00 C ATOM 179 CG ARG A 22 38.530 -2.647 2.268 1.00 1.00 C ATOM 180 CD ARG A 22 39.342 -2.408 0.987 1.00 1.00 C ATOM 181 NE ARG A 22 38.957 -1.143 0.376 1.00 1.00 N ATOM 182 CZ ARG A 22 39.642 -0.629 -0.636 1.00 1.00 C ATOM 183 NH1 ARG A 22 40.684 -1.255 -1.109 1.00 1.00 N ATOM 184 NH2 ARG A 22 39.274 0.505 -1.159 1.00 1.00 N ATOM 0 H ARG A 22 40.040 -2.967 4.205 1.00 1.00 H new ATOM 0 HA ARG A 22 40.457 -0.600 2.699 1.00 1.00 H new ATOM 0 HB2 ARG A 22 37.873 -1.548 4.015 1.00 1.00 H new ATOM 0 HB3 ARG A 22 38.030 -0.562 2.575 1.00 1.00 H new ATOM 0 HG2 ARG A 22 38.971 -3.466 2.836 1.00 1.00 H new ATOM 0 HG3 ARG A 22 37.515 -2.948 2.010 1.00 1.00 H new ATOM 0 HD2 ARG A 22 40.407 -2.399 1.219 1.00 1.00 H new ATOM 0 HD3 ARG A 22 39.176 -3.225 0.285 1.00 1.00 H new ATOM 0 HE ARG A 22 38.144 -0.642 0.734 1.00 1.00 H new ATOM 0 HH11 ARG A 22 40.974 -2.143 -0.700 1.00 1.00 H new ATOM 0 HH12 ARG A 22 41.208 -0.856 -1.888 1.00 1.00 H new ATOM 0 HH21 ARG A 22 38.460 0.996 -0.790 1.00 1.00 H new ATOM 0 HH22 ARG A 22 39.800 0.902 -1.938 1.00 1.00 H new ATOM 198 N CYS A 23 39.681 -0.268 5.879 1.00 1.00 N ATOM 199 CA CYS A 23 39.588 0.683 6.993 1.00 1.00 C ATOM 200 C CYS A 23 40.455 0.208 8.155 1.00 1.00 C ATOM 201 O CYS A 23 41.264 -0.710 8.019 1.00 1.00 O ATOM 202 CB CYS A 23 38.122 0.818 7.436 1.00 1.00 C ATOM 203 SG CYS A 23 37.370 -0.823 7.548 1.00 1.00 S ATOM 0 H CYS A 23 39.623 -1.247 6.160 1.00 1.00 H new ATOM 0 HA CYS A 23 39.948 1.659 6.667 1.00 1.00 H new ATOM 0 HB2 CYS A 23 38.068 1.321 8.402 1.00 1.00 H new ATOM 0 HB3 CYS A 23 37.572 1.434 6.725 1.00 1.00 H new ATOM 208 N GLN A 24 40.301 0.840 9.315 1.00 1.00 N ATOM 209 CA GLN A 24 41.086 0.486 10.503 1.00 1.00 C ATOM 210 C GLN A 24 40.397 -0.601 11.331 1.00 1.00 C ATOM 211 O GLN A 24 40.948 -1.058 12.332 1.00 1.00 O ATOM 212 CB GLN A 24 41.297 1.736 11.369 1.00 1.00 C ATOM 213 CG GLN A 24 42.185 2.736 10.622 1.00 1.00 C ATOM 214 CD GLN A 24 42.398 3.982 11.473 1.00 1.00 C ATOM 215 OE1 GLN A 24 41.955 4.033 12.621 1.00 1.00 O ATOM 216 NE2 GLN A 24 43.053 4.995 10.977 1.00 1.00 N ATOM 0 H GLN A 24 39.639 1.602 9.462 1.00 1.00 H new ATOM 0 HA GLN A 24 42.047 0.095 10.168 1.00 1.00 H new ATOM 0 HB2 GLN A 24 40.336 2.193 11.605 1.00 1.00 H new ATOM 0 HB3 GLN A 24 41.760 1.460 12.316 1.00 1.00 H new ATOM 0 HG2 GLN A 24 43.146 2.277 10.388 1.00 1.00 H new ATOM 0 HG3 GLN A 24 41.722 3.008 9.674 1.00 1.00 H new ATOM 0 HE21 GLN A 24 43.419 4.950 10.026 1.00 1.00 H new ATOM 0 HE22 GLN A 24 43.200 5.833 11.540 1.00 1.00 H new ATOM 225 N ALA A 25 39.202 -1.017 10.921 1.00 1.00 N ATOM 226 CA ALA A 25 38.444 -2.043 11.633 1.00 1.00 C ATOM 227 C ALA A 25 39.260 -3.322 11.811 1.00 1.00 C ATOM 228 O ALA A 25 40.201 -3.600 11.068 1.00 1.00 O ATOM 229 CB ALA A 25 37.155 -2.356 10.869 1.00 1.00 C ATOM 0 H ALA A 25 38.733 -0.655 10.090 1.00 1.00 H new ATOM 0 HA ALA A 25 38.204 -1.657 12.623 1.00 1.00 H new ATOM 0 HB1 ALA A 25 36.592 -3.122 11.403 1.00 1.00 H new ATOM 0 HB2 ALA A 25 36.551 -1.452 10.788 1.00 1.00 H new ATOM 0 HB3 ALA A 25 37.402 -2.717 9.871 1.00 1.00 H new ATOM 235 N SER A 26 38.901 -4.115 12.815 1.00 1.00 N ATOM 236 CA SER A 26 39.594 -5.382 13.110 1.00 1.00 C ATOM 237 C SER A 26 38.588 -6.501 13.377 1.00 1.00 C ATOM 238 O SER A 26 37.456 -6.251 13.791 1.00 1.00 O ATOM 239 CB SER A 26 40.493 -5.203 14.333 1.00 1.00 C ATOM 240 OG SER A 26 39.684 -4.977 15.481 1.00 1.00 O ATOM 0 H SER A 26 38.128 -3.908 13.448 1.00 1.00 H new ATOM 0 HA SER A 26 40.198 -5.655 12.244 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.111 -6.089 14.478 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.171 -4.363 14.181 1.00 1.00 H new ATOM 0 HG SER A 26 40.257 -4.863 16.268 1.00 1.00 H new ATOM 246 N PHE A 27 38.998 -7.742 13.139 1.00 1.00 N ATOM 247 CA PHE A 27 38.118 -8.902 13.352 1.00 1.00 C ATOM 248 C PHE A 27 38.917 -10.153 13.724 1.00 1.00 C ATOM 249 O PHE A 27 40.052 -10.343 13.287 1.00 1.00 O ATOM 250 CB PHE A 27 37.300 -9.168 12.083 1.00 1.00 C ATOM 251 CG PHE A 27 36.321 -8.028 11.843 1.00 1.00 C ATOM 252 CD1 PHE A 27 36.714 -6.905 11.098 1.00 1.00 C ATOM 253 CD2 PHE A 27 35.013 -8.108 12.342 1.00 1.00 C ATOM 254 CE1 PHE A 27 35.802 -5.869 10.858 1.00 1.00 C ATOM 255 CE2 PHE A 27 34.105 -7.069 12.104 1.00 1.00 C ATOM 256 CZ PHE A 27 34.499 -5.950 11.361 1.00 1.00 C ATOM 0 H PHE A 27 39.930 -7.978 12.799 1.00 1.00 H new ATOM 0 HA PHE A 27 37.450 -8.671 14.182 1.00 1.00 H new ATOM 0 HB2 PHE A 27 37.966 -9.272 11.227 1.00 1.00 H new ATOM 0 HB3 PHE A 27 36.758 -10.109 12.181 1.00 1.00 H new ATOM 0 HD1 PHE A 27 37.720 -6.840 10.710 1.00 1.00 H new ATOM 0 HD2 PHE A 27 34.705 -8.973 12.911 1.00 1.00 H new ATOM 0 HE1 PHE A 27 36.105 -5.006 10.284 1.00 1.00 H new ATOM 0 HE2 PHE A 27 33.100 -7.131 12.494 1.00 1.00 H new ATOM 0 HZ PHE A 27 33.798 -5.150 11.176 1.00 1.00 H new ATOM 266 N ARG A 28 38.309 -11.009 14.540 1.00 1.00 N ATOM 267 CA ARG A 28 38.946 -12.253 14.984 1.00 1.00 C ATOM 268 C ARG A 28 38.521 -13.430 14.115 1.00 1.00 C ATOM 269 O ARG A 28 38.972 -14.556 14.321 1.00 1.00 O ATOM 270 CB ARG A 28 38.570 -12.539 16.444 1.00 1.00 C ATOM 271 CG ARG A 28 39.029 -11.377 17.376 1.00 1.00 C ATOM 272 CD ARG A 28 37.891 -10.363 17.585 1.00 1.00 C ATOM 273 NE ARG A 28 38.361 -9.241 18.391 1.00 1.00 N ATOM 274 CZ ARG A 28 37.527 -8.304 18.828 1.00 1.00 C ATOM 275 NH1 ARG A 28 36.258 -8.370 18.539 1.00 1.00 N ATOM 276 NH2 ARG A 28 37.979 -7.315 19.550 1.00 1.00 N ATOM 0 H ARG A 28 37.370 -10.866 14.911 1.00 1.00 H new ATOM 0 HA ARG A 28 40.025 -12.128 14.896 1.00 1.00 H new ATOM 0 HB2 ARG A 28 37.491 -12.672 16.526 1.00 1.00 H new ATOM 0 HB3 ARG A 28 39.031 -13.472 16.766 1.00 1.00 H new ATOM 0 HG2 ARG A 28 39.345 -11.780 18.338 1.00 1.00 H new ATOM 0 HG3 ARG A 28 39.894 -10.876 16.941 1.00 1.00 H new ATOM 0 HD2 ARG A 28 37.532 -10.003 16.621 1.00 1.00 H new ATOM 0 HD3 ARG A 28 37.048 -10.847 18.078 1.00 1.00 H new ATOM 0 HE ARG A 28 39.352 -9.175 18.624 1.00 1.00 H new ATOM 0 HH11 ARG A 28 35.903 -9.143 17.976 1.00 1.00 H new ATOM 0 HH12 ARG A 28 35.620 -7.649 18.876 1.00 1.00 H new ATOM 0 HH21 ARG A 28 38.972 -7.262 19.778 1.00 1.00 H new ATOM 0 HH22 ARG A 28 37.339 -6.595 19.886 1.00 1.00 H new ATOM 290 N TYR A 29 37.654 -13.174 13.139 1.00 1.00 N ATOM 291 CA TYR A 29 37.163 -14.233 12.241 1.00 1.00 C ATOM 292 C TYR A 29 37.183 -13.772 10.785 1.00 1.00 C ATOM 293 O TYR A 29 36.764 -12.659 10.466 1.00 1.00 O ATOM 294 CB TYR A 29 35.733 -14.600 12.635 1.00 1.00 C ATOM 295 CG TYR A 29 35.696 -14.943 14.110 1.00 1.00 C ATOM 296 CD1 TYR A 29 35.910 -16.261 14.538 1.00 1.00 C ATOM 297 CD2 TYR A 29 35.446 -13.939 15.052 1.00 1.00 C ATOM 298 CE1 TYR A 29 35.873 -16.568 15.904 1.00 1.00 C ATOM 299 CE2 TYR A 29 35.409 -14.244 16.414 1.00 1.00 C ATOM 300 CZ TYR A 29 35.623 -15.558 16.842 1.00 1.00 C ATOM 301 OH TYR A 29 35.588 -15.860 18.188 1.00 1.00 O ATOM 0 H TYR A 29 37.274 -12.248 12.944 1.00 1.00 H new ATOM 0 HA TYR A 29 37.817 -15.100 12.336 1.00 1.00 H new ATOM 0 HB2 TYR A 29 35.060 -13.768 12.426 1.00 1.00 H new ATOM 0 HB3 TYR A 29 35.386 -15.447 12.043 1.00 1.00 H new ATOM 0 HD1 TYR A 29 36.103 -17.039 13.815 1.00 1.00 H new ATOM 0 HD2 TYR A 29 35.281 -12.923 14.724 1.00 1.00 H new ATOM 0 HE1 TYR A 29 36.037 -17.583 16.234 1.00 1.00 H new ATOM 0 HE2 TYR A 29 35.215 -13.465 17.137 1.00 1.00 H new ATOM 0 HH TYR A 29 35.404 -15.046 18.701 1.00 1.00 H new ATOM 311 N LYS A 30 37.664 -14.635 9.896 1.00 1.00 N ATOM 312 CA LYS A 30 37.735 -14.319 8.474 1.00 1.00 C ATOM 313 C LYS A 30 36.339 -14.192 7.874 1.00 1.00 C ATOM 314 O LYS A 30 36.114 -13.386 6.972 1.00 1.00 O ATOM 315 CB LYS A 30 38.520 -15.401 7.729 1.00 1.00 C ATOM 316 CG LYS A 30 38.743 -14.973 6.273 1.00 1.00 C ATOM 317 CD LYS A 30 39.637 -15.999 5.575 1.00 1.00 C ATOM 318 CE LYS A 30 39.891 -15.564 4.131 1.00 1.00 C ATOM 319 NZ LYS A 30 38.619 -15.631 3.359 1.00 1.00 N ATOM 0 H LYS A 30 38.012 -15.563 10.137 1.00 1.00 H new ATOM 0 HA LYS A 30 38.248 -13.363 8.366 1.00 1.00 H new ATOM 0 HB2 LYS A 30 39.479 -15.570 8.219 1.00 1.00 H new ATOM 0 HB3 LYS A 30 37.976 -16.345 7.761 1.00 1.00 H new ATOM 0 HG2 LYS A 30 37.787 -14.894 5.755 1.00 1.00 H new ATOM 0 HG3 LYS A 30 39.206 -13.987 6.239 1.00 1.00 H new ATOM 0 HD2 LYS A 30 40.583 -16.094 6.108 1.00 1.00 H new ATOM 0 HD3 LYS A 30 39.162 -16.980 5.591 1.00 1.00 H new ATOM 0 HE2 LYS A 30 40.288 -14.549 4.111 1.00 1.00 H new ATOM 0 HE3 LYS A 30 40.641 -16.209 3.673 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 38.830 -15.620 2.341 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 38.113 -16.508 3.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 38.024 -14.812 3.598 1.00 1.00 H new ATOM 333 N GLY A 31 35.397 -14.989 8.366 1.00 1.00 N ATOM 334 CA GLY A 31 34.027 -14.957 7.869 1.00 1.00 C ATOM 335 C GLY A 31 33.378 -13.620 8.186 1.00 1.00 C ATOM 336 O GLY A 31 32.590 -13.092 7.401 1.00 1.00 O ATOM 0 H GLY A 31 35.558 -15.667 9.111 1.00 1.00 H new ATOM 0 HA2 GLY A 31 34.020 -15.125 6.792 1.00 1.00 H new ATOM 0 HA3 GLY A 31 33.451 -15.764 8.321 1.00 1.00 H new ATOM 340 N ASN A 32 33.718 -13.065 9.345 1.00 1.00 N ATOM 341 CA ASN A 32 33.163 -11.789 9.750 1.00 1.00 C ATOM 342 C ASN A 32 33.611 -10.718 8.766 1.00 1.00 C ATOM 343 O ASN A 32 32.836 -9.837 8.394 1.00 1.00 O ATOM 344 CB ASN A 32 33.622 -11.435 11.178 1.00 1.00 C ATOM 345 CG ASN A 32 32.862 -12.275 12.205 1.00 1.00 C ATOM 346 OD1 ASN A 32 31.848 -12.891 11.880 1.00 1.00 O ATOM 347 ND2 ASN A 32 33.296 -12.327 13.433 1.00 1.00 N ATOM 0 H ASN A 32 34.370 -13.478 10.012 1.00 1.00 H new ATOM 0 HA ASN A 32 32.075 -11.848 9.749 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.693 -11.610 11.277 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.453 -10.375 11.369 1.00 1.00 H new ATOM 0 HD21 ASN A 32 32.794 -12.880 14.128 1.00 1.00 H new ATOM 0 HD22 ASN A 32 34.137 -11.815 13.699 1.00 1.00 H new ATOM 354 N LEU A 33 34.871 -10.790 8.349 1.00 1.00 N ATOM 355 CA LEU A 33 35.418 -9.827 7.410 1.00 1.00 C ATOM 356 C LEU A 33 34.668 -9.916 6.091 1.00 1.00 C ATOM 357 O LEU A 33 34.349 -8.898 5.472 1.00 1.00 O ATOM 358 CB LEU A 33 36.926 -10.101 7.191 1.00 1.00 C ATOM 359 CG LEU A 33 37.692 -8.772 6.960 1.00 1.00 C ATOM 360 CD1 LEU A 33 37.092 -8.020 5.752 1.00 1.00 C ATOM 361 CD2 LEU A 33 37.616 -7.893 8.236 1.00 1.00 C ATOM 0 H LEU A 33 35.531 -11.508 8.649 1.00 1.00 H new ATOM 0 HA LEU A 33 35.302 -8.822 7.815 1.00 1.00 H new ATOM 0 HB2 LEU A 33 37.337 -10.619 8.058 1.00 1.00 H new ATOM 0 HB3 LEU A 33 37.061 -10.759 6.333 1.00 1.00 H new ATOM 0 HG LEU A 33 38.738 -8.993 6.748 1.00 1.00 H new ATOM 0 HD11 LEU A 33 37.636 -7.088 5.597 1.00 1.00 H new ATOM 0 HD12 LEU A 33 37.174 -8.641 4.860 1.00 1.00 H new ATOM 0 HD13 LEU A 33 36.042 -7.800 5.945 1.00 1.00 H new ATOM 0 HD21 LEU A 33 38.156 -6.961 8.068 1.00 1.00 H new ATOM 0 HD22 LEU A 33 36.573 -7.673 8.464 1.00 1.00 H new ATOM 0 HD23 LEU A 33 38.066 -8.427 9.073 1.00 1.00 H new ATOM 373 N ALA A 34 34.378 -11.138 5.652 1.00 1.00 N ATOM 374 CA ALA A 34 33.665 -11.337 4.409 1.00 1.00 C ATOM 375 C ALA A 34 32.299 -10.679 4.507 1.00 1.00 C ATOM 376 O ALA A 34 31.815 -10.077 3.547 1.00 1.00 O ATOM 377 CB ALA A 34 33.510 -12.833 4.133 1.00 1.00 C ATOM 0 H ALA A 34 34.628 -11.997 6.141 1.00 1.00 H new ATOM 0 HA ALA A 34 34.225 -10.887 3.589 1.00 1.00 H new ATOM 0 HB1 ALA A 34 32.972 -12.976 3.196 1.00 1.00 H new ATOM 0 HB2 ALA A 34 34.495 -13.294 4.060 1.00 1.00 H new ATOM 0 HB3 ALA A 34 32.952 -13.297 4.946 1.00 1.00 H new ATOM 383 N SER A 35 31.673 -10.789 5.674 1.00 1.00 N ATOM 384 CA SER A 35 30.362 -10.185 5.895 1.00 1.00 C ATOM 385 C SER A 35 30.479 -8.661 5.869 1.00 1.00 C ATOM 386 O SER A 35 29.681 -7.970 5.235 1.00 1.00 O ATOM 387 CB SER A 35 29.793 -10.636 7.243 1.00 1.00 C ATOM 388 OG SER A 35 28.663 -9.838 7.566 1.00 1.00 O ATOM 0 H SER A 35 32.050 -11.289 6.479 1.00 1.00 H new ATOM 0 HA SER A 35 29.689 -10.507 5.100 1.00 1.00 H new ATOM 0 HB2 SER A 35 29.509 -11.687 7.197 1.00 1.00 H new ATOM 0 HB3 SER A 35 30.552 -10.544 8.020 1.00 1.00 H new ATOM 0 HG SER A 35 28.295 -10.125 8.428 1.00 1.00 H new ATOM 394 N HIS A 36 31.488 -8.141 6.560 1.00 1.00 N ATOM 395 CA HIS A 36 31.725 -6.700 6.619 1.00 1.00 C ATOM 396 C HIS A 36 32.155 -6.159 5.252 1.00 1.00 C ATOM 397 O HIS A 36 31.727 -5.082 4.835 1.00 1.00 O ATOM 398 CB HIS A 36 32.809 -6.411 7.680 1.00 1.00 C ATOM 399 CG HIS A 36 33.338 -5.004 7.537 1.00 1.00 C ATOM 400 ND1 HIS A 36 32.610 -3.886 7.913 1.00 1.00 N ATOM 401 CD2 HIS A 36 34.519 -4.531 7.028 1.00 1.00 C ATOM 402 CE1 HIS A 36 33.357 -2.803 7.624 1.00 1.00 C ATOM 403 NE2 HIS A 36 34.532 -3.140 7.083 1.00 1.00 N ATOM 0 H HIS A 36 32.159 -8.698 7.090 1.00 1.00 H new ATOM 0 HA HIS A 36 30.799 -6.197 6.896 1.00 1.00 H new ATOM 0 HB2 HIS A 36 32.393 -6.548 8.678 1.00 1.00 H new ATOM 0 HB3 HIS A 36 33.627 -7.124 7.575 1.00 1.00 H new ATOM 0 HD1 HIS A 36 31.680 -3.884 8.332 1.00 1.00 H new ATOM 0 HD2 HIS A 36 35.319 -5.145 6.642 1.00 1.00 H new ATOM 0 HE1 HIS A 36 33.044 -1.786 7.807 1.00 1.00 H new ATOM 411 N LYS A 37 33.011 -6.905 4.562 1.00 1.00 N ATOM 412 CA LYS A 37 33.509 -6.493 3.257 1.00 1.00 C ATOM 413 C LYS A 37 32.361 -6.149 2.310 1.00 1.00 C ATOM 414 O LYS A 37 32.540 -5.429 1.327 1.00 1.00 O ATOM 415 CB LYS A 37 34.385 -7.601 2.656 1.00 1.00 C ATOM 416 CG LYS A 37 35.150 -7.069 1.432 1.00 1.00 C ATOM 417 CD LYS A 37 36.190 -8.103 0.955 1.00 1.00 C ATOM 418 CE LYS A 37 35.510 -9.305 0.275 1.00 1.00 C ATOM 419 NZ LYS A 37 34.527 -8.836 -0.746 1.00 1.00 N ATOM 0 H LYS A 37 33.375 -7.801 4.887 1.00 1.00 H new ATOM 0 HA LYS A 37 34.112 -5.595 3.390 1.00 1.00 H new ATOM 0 HB2 LYS A 37 35.089 -7.964 3.405 1.00 1.00 H new ATOM 0 HB3 LYS A 37 33.764 -8.448 2.366 1.00 1.00 H new ATOM 0 HG2 LYS A 37 34.450 -6.849 0.626 1.00 1.00 H new ATOM 0 HG3 LYS A 37 35.648 -6.133 1.685 1.00 1.00 H new ATOM 0 HD2 LYS A 37 36.882 -7.631 0.258 1.00 1.00 H new ATOM 0 HD3 LYS A 37 36.779 -8.448 1.804 1.00 1.00 H new ATOM 0 HE2 LYS A 37 36.262 -9.937 -0.198 1.00 1.00 H new ATOM 0 HE3 LYS A 37 35.004 -9.916 1.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 34.470 -9.531 -1.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 33.591 -8.731 -0.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 34.834 -7.919 -1.128 1.00 1.00 H new ATOM 433 N THR A 38 31.165 -6.654 2.592 1.00 1.00 N ATOM 434 CA THR A 38 30.003 -6.386 1.751 1.00 1.00 C ATOM 435 C THR A 38 29.675 -4.899 1.743 1.00 1.00 C ATOM 436 O THR A 38 29.150 -4.385 0.755 1.00 1.00 O ATOM 437 CB THR A 38 28.782 -7.158 2.259 1.00 1.00 C ATOM 438 OG1 THR A 38 28.472 -6.730 3.578 1.00 1.00 O ATOM 439 CG2 THR A 38 29.080 -8.658 2.265 1.00 1.00 C ATOM 0 H THR A 38 30.974 -7.251 3.396 1.00 1.00 H new ATOM 0 HA THR A 38 30.246 -6.710 0.739 1.00 1.00 H new ATOM 0 HB THR A 38 27.934 -6.966 1.601 1.00 1.00 H new ATOM 0 HG1 THR A 38 28.815 -7.383 4.223 1.00 1.00 H new ATOM 0 HG21 THR A 38 28.207 -9.201 2.628 1.00 1.00 H new ATOM 0 HG22 THR A 38 29.317 -8.986 1.253 1.00 1.00 H new ATOM 0 HG23 THR A 38 29.929 -8.858 2.919 1.00 1.00 H new ATOM 447 N VAL A 39 29.984 -4.223 2.843 1.00 1.00 N ATOM 448 CA VAL A 39 29.717 -2.800 3.004 1.00 1.00 C ATOM 449 C VAL A 39 30.459 -1.954 1.970 1.00 1.00 C ATOM 450 O VAL A 39 29.879 -1.044 1.378 1.00 1.00 O ATOM 451 CB VAL A 39 30.135 -2.371 4.418 1.00 1.00 C ATOM 452 CG1 VAL A 39 29.867 -0.872 4.624 1.00 1.00 C ATOM 453 CG2 VAL A 39 29.341 -3.180 5.448 1.00 1.00 C ATOM 0 H VAL A 39 30.430 -4.651 3.654 1.00 1.00 H new ATOM 0 HA VAL A 39 28.650 -2.637 2.852 1.00 1.00 H new ATOM 0 HB VAL A 39 31.202 -2.557 4.544 1.00 1.00 H new ATOM 0 HG11 VAL A 39 30.169 -0.583 5.631 1.00 1.00 H new ATOM 0 HG12 VAL A 39 30.438 -0.297 3.895 1.00 1.00 H new ATOM 0 HG13 VAL A 39 28.804 -0.671 4.492 1.00 1.00 H new ATOM 0 HG21 VAL A 39 29.635 -2.878 6.453 1.00 1.00 H new ATOM 0 HG22 VAL A 39 28.275 -2.997 5.311 1.00 1.00 H new ATOM 0 HG23 VAL A 39 29.547 -4.242 5.313 1.00 1.00 H new ATOM 463 N HIS A 40 31.740 -2.231 1.749 1.00 1.00 N ATOM 464 CA HIS A 40 32.546 -1.469 0.802 1.00 1.00 C ATOM 465 C HIS A 40 32.077 -1.672 -0.640 1.00 1.00 C ATOM 466 O HIS A 40 32.045 -0.722 -1.423 1.00 1.00 O ATOM 467 CB HIS A 40 34.021 -1.874 0.937 1.00 1.00 C ATOM 468 CG HIS A 40 34.537 -1.461 2.292 1.00 1.00 C ATOM 469 ND1 HIS A 40 34.878 -0.150 2.585 1.00 1.00 N ATOM 470 CD2 HIS A 40 34.766 -2.172 3.446 1.00 1.00 C ATOM 471 CE1 HIS A 40 35.290 -0.112 3.866 1.00 1.00 C ATOM 472 NE2 HIS A 40 35.241 -1.317 4.437 1.00 1.00 N ATOM 0 H HIS A 40 32.245 -2.983 2.217 1.00 1.00 H new ATOM 0 HA HIS A 40 32.429 -0.411 1.038 1.00 1.00 H new ATOM 0 HB2 HIS A 40 34.126 -2.951 0.810 1.00 1.00 H new ATOM 0 HB3 HIS A 40 34.612 -1.401 0.152 1.00 1.00 H new ATOM 0 HD1 HIS A 40 34.826 0.643 1.945 1.00 1.00 H new ATOM 0 HD2 HIS A 40 34.602 -3.233 3.566 1.00 1.00 H new ATOM 0 HE1 HIS A 40 35.620 0.784 4.370 1.00 1.00 H new ATOM 480 N THR A 41 31.712 -2.894 -1.009 1.00 1.00 N ATOM 481 CA THR A 41 31.259 -3.181 -2.368 1.00 1.00 C ATOM 482 C THR A 41 29.949 -2.461 -2.677 1.00 1.00 C ATOM 483 O THR A 41 29.037 -2.409 -1.852 1.00 1.00 O ATOM 484 CB THR A 41 31.070 -4.690 -2.555 1.00 1.00 C ATOM 485 OG1 THR A 41 30.145 -5.174 -1.592 1.00 1.00 O ATOM 486 CG2 THR A 41 32.411 -5.404 -2.376 1.00 1.00 C ATOM 0 H THR A 41 31.720 -3.703 -0.388 1.00 1.00 H new ATOM 0 HA THR A 41 32.023 -2.821 -3.057 1.00 1.00 H new ATOM 0 HB THR A 41 30.689 -4.884 -3.558 1.00 1.00 H new ATOM 0 HG1 THR A 41 29.923 -4.457 -0.962 1.00 1.00 H new ATOM 0 HG21 THR A 41 32.273 -6.477 -2.510 1.00 1.00 H new ATOM 0 HG22 THR A 41 33.121 -5.035 -3.116 1.00 1.00 H new ATOM 0 HG23 THR A 41 32.796 -5.210 -1.375 1.00 1.00 H new ATOM 494 N GLY A 42 29.859 -1.904 -3.881 1.00 1.00 N ATOM 495 CA GLY A 42 28.657 -1.188 -4.300 1.00 1.00 C ATOM 496 C GLY A 42 28.762 -0.745 -5.755 1.00 1.00 C ATOM 497 O GLY A 42 29.659 -1.174 -6.480 1.00 1.00 O ATOM 0 H GLY A 42 30.600 -1.934 -4.581 1.00 1.00 H new ATOM 0 HA2 GLY A 42 27.785 -1.830 -4.174 1.00 1.00 H new ATOM 0 HA3 GLY A 42 28.507 -0.318 -3.661 1.00 1.00 H new ATOM 501 N GLU A 43 27.843 0.117 -6.176 1.00 1.00 N ATOM 502 CA GLU A 43 27.829 0.622 -7.545 1.00 1.00 C ATOM 503 C GLU A 43 29.073 1.457 -7.809 1.00 1.00 C ATOM 504 O GLU A 43 29.732 1.927 -6.882 1.00 1.00 O ATOM 505 CB GLU A 43 26.577 1.474 -7.775 1.00 1.00 C ATOM 506 CG GLU A 43 25.331 0.584 -7.711 1.00 1.00 C ATOM 507 CD GLU A 43 24.066 1.435 -7.818 1.00 1.00 C ATOM 508 OE1 GLU A 43 24.191 2.642 -7.956 1.00 1.00 O ATOM 509 OE2 GLU A 43 22.989 0.865 -7.758 1.00 1.00 O ATOM 0 H GLU A 43 27.095 0.482 -5.587 1.00 1.00 H new ATOM 0 HA GLU A 43 27.818 -0.225 -8.231 1.00 1.00 H new ATOM 0 HB2 GLU A 43 26.515 2.259 -7.021 1.00 1.00 H new ATOM 0 HB3 GLU A 43 26.634 1.968 -8.745 1.00 1.00 H new ATOM 0 HG2 GLU A 43 25.356 -0.147 -8.520 1.00 1.00 H new ATOM 0 HG3 GLU A 43 25.323 0.024 -6.776 1.00 1.00 H new ATOM 516 N LYS A 44 29.411 1.650 -9.080 1.00 1.00 N ATOM 517 CA LYS A 44 30.600 2.432 -9.475 1.00 1.00 C ATOM 518 C LYS A 44 31.763 2.196 -8.495 1.00 1.00 C ATOM 519 O LYS A 44 32.093 3.067 -7.690 1.00 1.00 O ATOM 520 CB LYS A 44 30.269 3.941 -9.584 1.00 1.00 C ATOM 521 CG LYS A 44 29.486 4.442 -8.359 1.00 1.00 C ATOM 522 CD LYS A 44 29.322 5.962 -8.451 1.00 1.00 C ATOM 523 CE LYS A 44 28.545 6.470 -7.236 1.00 1.00 C ATOM 524 NZ LYS A 44 29.343 6.234 -5.999 1.00 1.00 N ATOM 0 H LYS A 44 28.880 1.276 -9.867 1.00 1.00 H new ATOM 0 HA LYS A 44 30.911 2.087 -10.461 1.00 1.00 H new ATOM 0 HB2 LYS A 44 31.193 4.510 -9.683 1.00 1.00 H new ATOM 0 HB3 LYS A 44 29.686 4.121 -10.487 1.00 1.00 H new ATOM 0 HG2 LYS A 44 28.509 3.961 -8.316 1.00 1.00 H new ATOM 0 HG3 LYS A 44 30.013 4.176 -7.443 1.00 1.00 H new ATOM 0 HD2 LYS A 44 30.300 6.441 -8.496 1.00 1.00 H new ATOM 0 HD3 LYS A 44 28.795 6.226 -9.368 1.00 1.00 H new ATOM 0 HE2 LYS A 44 28.332 7.533 -7.346 1.00 1.00 H new ATOM 0 HE3 LYS A 44 27.585 5.958 -7.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 28.989 6.845 -5.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 29.255 5.238 -5.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 30.342 6.455 -6.183 1.00 1.00 H new ATOM 538 N PRO A 45 32.370 1.043 -8.531 1.00 1.00 N ATOM 539 CA PRO A 45 33.493 0.686 -7.609 1.00 1.00 C ATOM 540 C PRO A 45 34.597 1.743 -7.566 1.00 1.00 C ATOM 541 O PRO A 45 35.006 2.170 -6.485 1.00 1.00 O ATOM 542 CB PRO A 45 34.001 -0.653 -8.181 1.00 1.00 C ATOM 543 CG PRO A 45 32.796 -1.256 -8.825 1.00 1.00 C ATOM 544 CD PRO A 45 32.055 -0.072 -9.450 1.00 1.00 C ATOM 0 HA PRO A 45 33.167 0.619 -6.571 1.00 1.00 H new ATOM 0 HB2 PRO A 45 34.803 -0.499 -8.903 1.00 1.00 H new ATOM 0 HB3 PRO A 45 34.397 -1.297 -7.396 1.00 1.00 H new ATOM 0 HG2 PRO A 45 33.076 -1.991 -9.580 1.00 1.00 H new ATOM 0 HG3 PRO A 45 32.173 -1.772 -8.094 1.00 1.00 H new ATOM 0 HD2 PRO A 45 32.401 0.131 -10.463 1.00 1.00 H new ATOM 0 HD3 PRO A 45 30.982 -0.254 -9.510 1.00 1.00 H new ATOM 552 N TYR A 46 35.085 2.174 -8.723 1.00 1.00 N ATOM 553 CA TYR A 46 36.144 3.194 -8.776 1.00 1.00 C ATOM 554 C TYR A 46 35.853 4.220 -9.864 1.00 1.00 C ATOM 555 O TYR A 46 35.384 3.885 -10.952 1.00 1.00 O ATOM 556 CB TYR A 46 37.500 2.520 -9.036 1.00 1.00 C ATOM 557 CG TYR A 46 37.624 1.315 -8.132 1.00 1.00 C ATOM 558 CD1 TYR A 46 38.021 1.480 -6.800 1.00 1.00 C ATOM 559 CD2 TYR A 46 37.333 0.036 -8.622 1.00 1.00 C ATOM 560 CE1 TYR A 46 38.126 0.367 -5.958 1.00 1.00 C ATOM 561 CE2 TYR A 46 37.438 -1.077 -7.779 1.00 1.00 C ATOM 562 CZ TYR A 46 37.835 -0.911 -6.446 1.00 1.00 C ATOM 563 OH TYR A 46 37.938 -2.007 -5.615 1.00 1.00 O ATOM 0 H TYR A 46 34.772 1.841 -9.635 1.00 1.00 H new ATOM 0 HA TYR A 46 36.176 3.713 -7.818 1.00 1.00 H new ATOM 0 HB2 TYR A 46 37.578 2.218 -10.081 1.00 1.00 H new ATOM 0 HB3 TYR A 46 38.313 3.221 -8.845 1.00 1.00 H new ATOM 0 HD1 TYR A 46 38.246 2.466 -6.422 1.00 1.00 H new ATOM 0 HD2 TYR A 46 37.028 -0.092 -9.650 1.00 1.00 H new ATOM 0 HE1 TYR A 46 38.432 0.495 -4.930 1.00 1.00 H new ATOM 0 HE2 TYR A 46 37.213 -2.064 -8.157 1.00 1.00 H new ATOM 0 HH TYR A 46 37.699 -2.818 -6.111 1.00 1.00 H new ATOM 573 N ARG A 47 36.143 5.483 -9.566 1.00 1.00 N ATOM 574 CA ARG A 47 35.923 6.581 -10.511 1.00 1.00 C ATOM 575 C ARG A 47 37.101 7.546 -10.464 1.00 1.00 C ATOM 576 O ARG A 47 37.688 7.779 -9.408 1.00 1.00 O ATOM 577 CB ARG A 47 34.623 7.321 -10.174 1.00 1.00 C ATOM 578 CG ARG A 47 34.348 8.394 -11.234 1.00 1.00 C ATOM 579 CD ARG A 47 32.974 9.023 -10.988 1.00 1.00 C ATOM 580 NE ARG A 47 32.965 9.757 -9.727 1.00 1.00 N ATOM 581 CZ ARG A 47 31.844 10.291 -9.251 1.00 1.00 C ATOM 582 NH1 ARG A 47 30.725 10.160 -9.908 1.00 1.00 N ATOM 583 NH2 ARG A 47 31.863 10.946 -8.126 1.00 1.00 N ATOM 0 H ARG A 47 36.534 5.776 -8.671 1.00 1.00 H new ATOM 0 HA ARG A 47 35.838 6.169 -11.517 1.00 1.00 H new ATOM 0 HB2 ARG A 47 33.793 6.616 -10.133 1.00 1.00 H new ATOM 0 HB3 ARG A 47 34.700 7.781 -9.189 1.00 1.00 H new ATOM 0 HG2 ARG A 47 35.121 9.161 -11.198 1.00 1.00 H new ATOM 0 HG3 ARG A 47 34.383 7.952 -12.230 1.00 1.00 H new ATOM 0 HD2 ARG A 47 32.723 9.695 -11.808 1.00 1.00 H new ATOM 0 HD3 ARG A 47 32.210 8.246 -10.968 1.00 1.00 H new ATOM 0 HE ARG A 47 33.833 9.862 -9.202 1.00 1.00 H new ATOM 0 HH11 ARG A 47 30.708 9.647 -10.789 1.00 1.00 H new ATOM 0 HH12 ARG A 47 29.867 10.571 -9.540 1.00 1.00 H new ATOM 0 HH21 ARG A 47 32.737 11.049 -7.611 1.00 1.00 H new ATOM 0 HH22 ARG A 47 31.004 11.356 -7.760 1.00 1.00 H new ATOM 597 N CYS A 48 37.459 8.116 -11.610 1.00 1.00 N ATOM 598 CA CYS A 48 38.583 9.049 -11.687 1.00 1.00 C ATOM 599 C CYS A 48 38.163 10.449 -11.239 1.00 1.00 C ATOM 600 O CYS A 48 37.353 11.116 -11.882 1.00 1.00 O ATOM 601 CB CYS A 48 39.101 9.088 -13.129 1.00 1.00 C ATOM 602 SG CYS A 48 40.316 10.408 -13.325 1.00 1.00 S ATOM 0 H CYS A 48 36.988 7.950 -12.500 1.00 1.00 H new ATOM 0 HA CYS A 48 39.374 8.709 -11.019 1.00 1.00 H new ATOM 0 HB2 CYS A 48 39.551 8.129 -13.387 1.00 1.00 H new ATOM 0 HB3 CYS A 48 38.270 9.245 -13.817 1.00 1.00 H new ATOM 607 N ASN A 49 38.731 10.892 -10.122 1.00 1.00 N ATOM 608 CA ASN A 49 38.426 12.210 -9.577 1.00 1.00 C ATOM 609 C ASN A 49 38.876 13.311 -10.542 1.00 1.00 C ATOM 610 O ASN A 49 38.201 14.330 -10.683 1.00 1.00 O ATOM 611 CB ASN A 49 39.119 12.384 -8.217 1.00 1.00 C ATOM 612 CG ASN A 49 38.469 11.486 -7.169 1.00 1.00 C ATOM 613 OD1 ASN A 49 37.336 11.038 -7.347 1.00 1.00 O ATOM 614 ND2 ASN A 49 39.127 11.196 -6.080 1.00 1.00 N ATOM 0 H ASN A 49 39.406 10.357 -9.576 1.00 1.00 H new ATOM 0 HA ASN A 49 37.347 12.291 -9.443 1.00 1.00 H new ATOM 0 HB2 ASN A 49 40.178 12.140 -8.308 1.00 1.00 H new ATOM 0 HB3 ASN A 49 39.057 13.425 -7.901 1.00 1.00 H new ATOM 0 HD21 ASN A 49 38.703 10.596 -5.372 1.00 1.00 H new ATOM 0 HD22 ASN A 49 40.065 11.569 -5.936 1.00 1.00 H new ATOM 621 N ILE A 50 40.011 13.102 -11.202 1.00 1.00 N ATOM 622 CA ILE A 50 40.565 14.082 -12.134 1.00 1.00 C ATOM 623 C ILE A 50 39.628 14.292 -13.323 1.00 1.00 C ATOM 624 O ILE A 50 39.393 15.421 -13.755 1.00 1.00 O ATOM 625 CB ILE A 50 41.948 13.607 -12.638 1.00 1.00 C ATOM 626 CG1 ILE A 50 42.951 13.559 -11.460 1.00 1.00 C ATOM 627 CG2 ILE A 50 42.481 14.579 -13.711 1.00 1.00 C ATOM 628 CD1 ILE A 50 42.646 12.381 -10.516 1.00 1.00 C ATOM 0 H ILE A 50 40.571 12.254 -11.108 1.00 1.00 H new ATOM 0 HA ILE A 50 40.676 15.030 -11.608 1.00 1.00 H new ATOM 0 HB ILE A 50 41.839 12.611 -13.068 1.00 1.00 H new ATOM 0 HG12 ILE A 50 43.966 13.465 -11.847 1.00 1.00 H new ATOM 0 HG13 ILE A 50 42.907 14.495 -10.903 1.00 1.00 H new ATOM 0 HG21 ILE A 50 43.455 14.237 -14.060 1.00 1.00 H new ATOM 0 HG22 ILE A 50 41.786 14.612 -14.550 1.00 1.00 H new ATOM 0 HG23 ILE A 50 42.579 15.576 -13.282 1.00 1.00 H new ATOM 0 HD11 ILE A 50 43.367 12.374 -9.699 1.00 1.00 H new ATOM 0 HD12 ILE A 50 41.640 12.490 -10.111 1.00 1.00 H new ATOM 0 HD13 ILE A 50 42.715 11.444 -11.069 1.00 1.00 H new ATOM 640 N CYS A 51 39.094 13.204 -13.867 1.00 1.00 N ATOM 641 CA CYS A 51 38.186 13.272 -15.026 1.00 1.00 C ATOM 642 C CYS A 51 36.764 12.932 -14.613 1.00 1.00 C ATOM 643 O CYS A 51 35.900 13.807 -14.556 1.00 1.00 O ATOM 644 CB CYS A 51 38.652 12.294 -16.104 1.00 1.00 C ATOM 645 SG CYS A 51 40.375 12.644 -16.523 1.00 1.00 S ATOM 0 H CYS A 51 39.270 12.258 -13.529 1.00 1.00 H new ATOM 0 HA CYS A 51 38.203 14.288 -15.420 1.00 1.00 H new ATOM 0 HB2 CYS A 51 38.553 11.268 -15.748 1.00 1.00 H new ATOM 0 HB3 CYS A 51 38.024 12.386 -16.990 1.00 1.00 H new ATOM 650 N GLY A 52 36.511 11.660 -14.321 1.00 1.00 N ATOM 651 CA GLY A 52 35.177 11.205 -13.909 1.00 1.00 C ATOM 652 C GLY A 52 34.815 9.854 -14.527 1.00 1.00 C ATOM 653 O GLY A 52 33.676 9.406 -14.398 1.00 1.00 O ATOM 0 H GLY A 52 37.212 10.920 -14.361 1.00 1.00 H new ATOM 0 HA2 GLY A 52 35.140 11.128 -12.822 1.00 1.00 H new ATOM 0 HA3 GLY A 52 34.435 11.948 -14.201 1.00 1.00 H new ATOM 657 N ALA A 53 35.763 9.198 -15.189 1.00 1.00 N ATOM 658 CA ALA A 53 35.508 7.905 -15.825 1.00 1.00 C ATOM 659 C ALA A 53 35.284 6.810 -14.793 1.00 1.00 C ATOM 660 O ALA A 53 35.958 6.748 -13.765 1.00 1.00 O ATOM 661 CB ALA A 53 36.693 7.530 -16.722 1.00 1.00 C ATOM 0 H ALA A 53 36.718 9.540 -15.300 1.00 1.00 H new ATOM 0 HA ALA A 53 34.601 7.997 -16.423 1.00 1.00 H new ATOM 0 HB1 ALA A 53 36.501 6.567 -17.195 1.00 1.00 H new ATOM 0 HB2 ALA A 53 36.823 8.292 -17.491 1.00 1.00 H new ATOM 0 HB3 ALA A 53 37.599 7.464 -16.119 1.00 1.00 H new ATOM 667 N GLN A 54 34.325 5.935 -15.075 1.00 1.00 N ATOM 668 CA GLN A 54 33.993 4.824 -14.178 1.00 1.00 C ATOM 669 C GLN A 54 34.755 3.567 -14.590 1.00 1.00 C ATOM 670 O GLN A 54 34.996 3.338 -15.776 1.00 1.00 O ATOM 671 CB GLN A 54 32.486 4.551 -14.225 1.00 1.00 C ATOM 672 CG GLN A 54 31.701 5.853 -13.971 1.00 1.00 C ATOM 673 CD GLN A 54 31.742 6.754 -15.203 1.00 1.00 C ATOM 674 OE1 GLN A 54 31.805 6.263 -16.330 1.00 1.00 O ATOM 675 NE2 GLN A 54 31.707 8.050 -15.055 1.00 1.00 N ATOM 0 H GLN A 54 33.758 5.971 -15.922 1.00 1.00 H new ATOM 0 HA GLN A 54 34.280 5.095 -13.162 1.00 1.00 H new ATOM 0 HB2 GLN A 54 32.214 4.137 -15.196 1.00 1.00 H new ATOM 0 HB3 GLN A 54 32.221 3.806 -13.475 1.00 1.00 H new ATOM 0 HG2 GLN A 54 30.667 5.617 -13.720 1.00 1.00 H new ATOM 0 HG3 GLN A 54 32.125 6.378 -13.115 1.00 1.00 H new ATOM 0 HE21 GLN A 54 31.655 8.455 -14.120 1.00 1.00 H new ATOM 0 HE22 GLN A 54 31.732 8.658 -15.874 1.00 1.00 H new ATOM 684 N PHE A 55 35.146 2.754 -13.615 1.00 1.00 N ATOM 685 CA PHE A 55 35.901 1.518 -13.892 1.00 1.00 C ATOM 686 C PHE A 55 35.312 0.317 -13.151 1.00 1.00 C ATOM 687 O PHE A 55 34.759 0.429 -12.057 1.00 1.00 O ATOM 688 CB PHE A 55 37.359 1.714 -13.468 1.00 1.00 C ATOM 689 CG PHE A 55 38.001 2.765 -14.351 1.00 1.00 C ATOM 690 CD1 PHE A 55 38.630 2.392 -15.546 1.00 1.00 C ATOM 691 CD2 PHE A 55 37.960 4.114 -13.977 1.00 1.00 C ATOM 692 CE1 PHE A 55 39.219 3.365 -16.362 1.00 1.00 C ATOM 693 CE2 PHE A 55 38.548 5.087 -14.792 1.00 1.00 C ATOM 694 CZ PHE A 55 39.179 4.712 -15.984 1.00 1.00 C ATOM 0 H PHE A 55 34.958 2.920 -12.626 1.00 1.00 H new ATOM 0 HA PHE A 55 35.839 1.314 -14.961 1.00 1.00 H new ATOM 0 HB2 PHE A 55 37.408 2.021 -12.423 1.00 1.00 H new ATOM 0 HB3 PHE A 55 37.903 0.773 -13.549 1.00 1.00 H new ATOM 0 HD1 PHE A 55 38.660 1.353 -15.838 1.00 1.00 H new ATOM 0 HD2 PHE A 55 37.473 4.404 -13.057 1.00 1.00 H new ATOM 0 HE1 PHE A 55 39.704 3.076 -17.283 1.00 1.00 H new ATOM 0 HE2 PHE A 55 38.515 6.127 -14.502 1.00 1.00 H new ATOM 0 HZ PHE A 55 39.635 5.463 -16.612 1.00 1.00 H new ATOM 704 N ASN A 56 35.444 -0.856 -13.761 1.00 1.00 N ATOM 705 CA ASN A 56 34.936 -2.100 -13.168 1.00 1.00 C ATOM 706 C ASN A 56 36.047 -2.802 -12.388 1.00 1.00 C ATOM 707 O ASN A 56 35.803 -3.707 -11.590 1.00 1.00 O ATOM 708 CB ASN A 56 34.414 -3.025 -14.279 1.00 1.00 C ATOM 709 CG ASN A 56 33.140 -2.447 -14.889 1.00 1.00 C ATOM 710 OD1 ASN A 56 32.486 -1.602 -14.277 1.00 1.00 O ATOM 711 ND2 ASN A 56 32.745 -2.856 -16.064 1.00 1.00 N ATOM 0 H ASN A 56 35.898 -0.977 -14.666 1.00 1.00 H new ATOM 0 HA ASN A 56 34.122 -1.862 -12.484 1.00 1.00 H new ATOM 0 HB2 ASN A 56 35.174 -3.144 -15.051 1.00 1.00 H new ATOM 0 HB3 ASN A 56 34.214 -4.017 -13.873 1.00 1.00 H new ATOM 0 HD21 ASN A 56 31.893 -2.476 -16.477 1.00 1.00 H new ATOM 0 HD22 ASN A 56 33.288 -3.556 -16.569 1.00 1.00 H new ATOM 718 N ARG A 57 37.287 -2.378 -12.615 1.00 1.00 N ATOM 719 CA ARG A 57 38.445 -2.970 -11.925 1.00 1.00 C ATOM 720 C ARG A 57 39.527 -1.905 -11.669 1.00 1.00 C ATOM 721 O ARG A 57 39.686 -0.988 -12.474 1.00 1.00 O ATOM 722 CB ARG A 57 39.031 -4.103 -12.784 1.00 1.00 C ATOM 723 CG ARG A 57 38.042 -5.276 -12.857 1.00 1.00 C ATOM 724 CD ARG A 57 38.716 -6.482 -13.517 1.00 1.00 C ATOM 725 NE ARG A 57 39.866 -6.913 -12.727 1.00 1.00 N ATOM 726 CZ ARG A 57 39.714 -7.561 -11.574 1.00 1.00 C ATOM 727 NH1 ARG A 57 38.518 -7.830 -11.129 1.00 1.00 N ATOM 728 NH2 ARG A 57 40.759 -7.929 -10.889 1.00 1.00 N ATOM 0 H ARG A 57 37.523 -1.630 -13.267 1.00 1.00 H new ATOM 0 HA ARG A 57 38.114 -3.368 -10.966 1.00 1.00 H new ATOM 0 HB2 ARG A 57 39.246 -3.735 -13.787 1.00 1.00 H new ATOM 0 HB3 ARG A 57 39.976 -4.440 -12.359 1.00 1.00 H new ATOM 0 HG2 ARG A 57 37.703 -5.540 -11.855 1.00 1.00 H new ATOM 0 HG3 ARG A 57 37.159 -4.985 -13.426 1.00 1.00 H new ATOM 0 HD2 ARG A 57 38.002 -7.301 -13.610 1.00 1.00 H new ATOM 0 HD3 ARG A 57 39.036 -6.222 -14.526 1.00 1.00 H new ATOM 0 HE ARG A 57 40.807 -6.713 -13.066 1.00 1.00 H new ATOM 0 HH11 ARG A 57 37.698 -7.544 -11.664 1.00 1.00 H new ATOM 0 HH12 ARG A 57 38.402 -8.327 -10.246 1.00 1.00 H new ATOM 0 HH21 ARG A 57 41.695 -7.721 -11.236 1.00 1.00 H new ATOM 0 HH22 ARG A 57 40.641 -8.425 -10.006 1.00 1.00 H new ATOM 742 N PRO A 58 40.260 -1.996 -10.592 1.00 1.00 N ATOM 743 CA PRO A 58 41.328 -0.996 -10.281 1.00 1.00 C ATOM 744 C PRO A 58 42.499 -1.085 -11.261 1.00 1.00 C ATOM 745 O PRO A 58 43.200 -0.099 -11.488 1.00 1.00 O ATOM 746 CB PRO A 58 41.759 -1.345 -8.838 1.00 1.00 C ATOM 747 CG PRO A 58 41.428 -2.800 -8.682 1.00 1.00 C ATOM 748 CD PRO A 58 40.180 -3.043 -9.548 1.00 1.00 C ATOM 0 HA PRO A 58 40.972 0.030 -10.372 1.00 1.00 H new ATOM 0 HB2 PRO A 58 42.823 -1.163 -8.688 1.00 1.00 H new ATOM 0 HB3 PRO A 58 41.225 -0.737 -8.107 1.00 1.00 H new ATOM 0 HG2 PRO A 58 42.258 -3.427 -9.008 1.00 1.00 H new ATOM 0 HG3 PRO A 58 41.233 -3.047 -7.638 1.00 1.00 H new ATOM 0 HD2 PRO A 58 40.185 -4.042 -9.983 1.00 1.00 H new ATOM 0 HD3 PRO A 58 39.265 -2.954 -8.963 1.00 1.00 H new ATOM 756 N ALA A 59 42.707 -2.264 -11.839 1.00 1.00 N ATOM 757 CA ALA A 59 43.795 -2.461 -12.786 1.00 1.00 C ATOM 758 C ALA A 59 43.620 -1.539 -13.983 1.00 1.00 C ATOM 759 O ALA A 59 44.581 -0.938 -14.465 1.00 1.00 O ATOM 760 CB ALA A 59 43.826 -3.916 -13.259 1.00 1.00 C ATOM 0 H ALA A 59 42.138 -3.093 -11.668 1.00 1.00 H new ATOM 0 HA ALA A 59 44.736 -2.227 -12.288 1.00 1.00 H new ATOM 0 HB1 ALA A 59 44.644 -4.051 -13.967 1.00 1.00 H new ATOM 0 HB2 ALA A 59 43.975 -4.574 -12.403 1.00 1.00 H new ATOM 0 HB3 ALA A 59 42.881 -4.161 -13.745 1.00 1.00 H new ATOM 766 N ASN A 60 42.387 -1.423 -14.464 1.00 1.00 N ATOM 767 CA ASN A 60 42.090 -0.567 -15.602 1.00 1.00 C ATOM 768 C ASN A 60 42.360 0.890 -15.248 1.00 1.00 C ATOM 769 O ASN A 60 42.905 1.642 -16.056 1.00 1.00 O ATOM 770 CB ASN A 60 40.624 -0.739 -16.022 1.00 1.00 C ATOM 771 CG ASN A 60 40.399 -2.143 -16.575 1.00 1.00 C ATOM 772 OD1 ASN A 60 39.349 -2.741 -16.341 1.00 1.00 O ATOM 773 ND2 ASN A 60 41.323 -2.707 -17.305 1.00 1.00 N ATOM 0 H ASN A 60 41.578 -1.912 -14.082 1.00 1.00 H new ATOM 0 HA ASN A 60 42.734 -0.854 -16.433 1.00 1.00 H new ATOM 0 HB2 ASN A 60 39.970 -0.567 -15.167 1.00 1.00 H new ATOM 0 HB3 ASN A 60 40.364 0.004 -16.776 1.00 1.00 H new ATOM 0 HD21 ASN A 60 41.175 -3.643 -17.681 1.00 1.00 H new ATOM 0 HD22 ASN A 60 42.193 -2.211 -17.499 1.00 1.00 H new ATOM 780 N LEU A 61 41.988 1.293 -14.037 1.00 1.00 N ATOM 781 CA LEU A 61 42.201 2.663 -13.593 1.00 1.00 C ATOM 782 C LEU A 61 43.700 2.926 -13.503 1.00 1.00 C ATOM 783 O LEU A 61 44.191 3.956 -13.963 1.00 1.00 O ATOM 784 CB LEU A 61 41.510 2.882 -12.217 1.00 1.00 C ATOM 785 CG LEU A 61 40.956 4.322 -12.068 1.00 1.00 C ATOM 786 CD1 LEU A 61 40.045 4.399 -10.844 1.00 1.00 C ATOM 787 CD2 LEU A 61 42.095 5.328 -11.898 1.00 1.00 C ATOM 0 H LEU A 61 41.538 0.690 -13.348 1.00 1.00 H new ATOM 0 HA LEU A 61 41.763 3.363 -14.305 1.00 1.00 H new ATOM 0 HB2 LEU A 61 40.696 2.167 -12.102 1.00 1.00 H new ATOM 0 HB3 LEU A 61 42.224 2.684 -11.417 1.00 1.00 H new ATOM 0 HG LEU A 61 40.396 4.566 -12.971 1.00 1.00 H new ATOM 0 HD11 LEU A 61 39.657 5.413 -10.742 1.00 1.00 H new ATOM 0 HD12 LEU A 61 39.215 3.703 -10.964 1.00 1.00 H new ATOM 0 HD13 LEU A 61 40.612 4.136 -9.951 1.00 1.00 H new ATOM 0 HD21 LEU A 61 41.682 6.331 -11.795 1.00 1.00 H new ATOM 0 HD22 LEU A 61 42.670 5.079 -11.006 1.00 1.00 H new ATOM 0 HD23 LEU A 61 42.746 5.291 -12.771 1.00 1.00 H new ATOM 799 N LYS A 62 44.431 1.991 -12.906 1.00 1.00 N ATOM 800 CA LYS A 62 45.879 2.117 -12.757 1.00 1.00 C ATOM 801 C LYS A 62 46.489 2.507 -14.097 1.00 1.00 C ATOM 802 O LYS A 62 47.392 3.341 -14.170 1.00 1.00 O ATOM 803 CB LYS A 62 46.459 0.775 -12.291 1.00 1.00 C ATOM 804 CG LYS A 62 47.952 0.926 -11.957 1.00 1.00 C ATOM 805 CD LYS A 62 48.554 -0.436 -11.569 1.00 1.00 C ATOM 806 CE LYS A 62 48.012 -0.918 -10.212 1.00 1.00 C ATOM 807 NZ LYS A 62 48.884 -2.012 -9.698 1.00 1.00 N ATOM 0 H LYS A 62 44.043 1.132 -12.515 1.00 1.00 H new ATOM 0 HA LYS A 62 46.110 2.885 -12.019 1.00 1.00 H new ATOM 0 HB2 LYS A 62 45.917 0.422 -11.414 1.00 1.00 H new ATOM 0 HB3 LYS A 62 46.328 0.024 -13.070 1.00 1.00 H new ATOM 0 HG2 LYS A 62 48.484 1.335 -12.816 1.00 1.00 H new ATOM 0 HG3 LYS A 62 48.078 1.634 -11.138 1.00 1.00 H new ATOM 0 HD2 LYS A 62 48.321 -1.172 -12.339 1.00 1.00 H new ATOM 0 HD3 LYS A 62 49.640 -0.356 -11.522 1.00 1.00 H new ATOM 0 HE2 LYS A 62 47.988 -0.091 -9.502 1.00 1.00 H new ATOM 0 HE3 LYS A 62 46.988 -1.274 -10.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 48.522 -2.342 -8.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 48.885 -2.802 -10.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 49.854 -1.656 -9.580 1.00 1.00 H new ATOM 821 N THR A 63 45.979 1.907 -15.167 1.00 1.00 N ATOM 822 CA THR A 63 46.446 2.203 -16.508 1.00 1.00 C ATOM 823 C THR A 63 46.100 3.649 -16.861 1.00 1.00 C ATOM 824 O THR A 63 46.852 4.318 -17.570 1.00 1.00 O ATOM 825 CB THR A 63 45.805 1.235 -17.513 1.00 1.00 C ATOM 826 OG1 THR A 63 45.934 -0.096 -17.031 1.00 1.00 O ATOM 827 CG2 THR A 63 46.503 1.357 -18.870 1.00 1.00 C ATOM 0 H THR A 63 45.237 1.208 -15.126 1.00 1.00 H new ATOM 0 HA THR A 63 47.528 2.078 -16.552 1.00 1.00 H new ATOM 0 HB THR A 63 44.750 1.483 -17.630 1.00 1.00 H new ATOM 0 HG1 THR A 63 45.524 -0.716 -17.670 1.00 1.00 H new ATOM 0 HG21 THR A 63 46.044 0.668 -19.579 1.00 1.00 H new ATOM 0 HG22 THR A 63 46.404 2.377 -19.240 1.00 1.00 H new ATOM 0 HG23 THR A 63 47.559 1.113 -18.759 1.00 1.00 H new ATOM 835 N HIS A 64 44.960 4.119 -16.366 1.00 1.00 N ATOM 836 CA HIS A 64 44.516 5.492 -16.611 1.00 1.00 C ATOM 837 C HIS A 64 45.334 6.458 -15.755 1.00 1.00 C ATOM 838 O HIS A 64 45.681 7.559 -16.184 1.00 1.00 O ATOM 839 CB HIS A 64 43.025 5.633 -16.284 1.00 1.00 C ATOM 840 CG HIS A 64 42.571 7.035 -16.570 1.00 1.00 C ATOM 841 ND1 HIS A 64 42.434 7.523 -17.860 1.00 1.00 N ATOM 842 CD2 HIS A 64 42.219 8.066 -15.739 1.00 1.00 C ATOM 843 CE1 HIS A 64 42.012 8.798 -17.767 1.00 1.00 C ATOM 844 NE2 HIS A 64 41.866 9.181 -16.497 1.00 1.00 N ATOM 0 H HIS A 64 44.322 3.569 -15.790 1.00 1.00 H new ATOM 0 HA HIS A 64 44.666 5.731 -17.664 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.445 4.925 -16.877 1.00 1.00 H new ATOM 0 HB3 HIS A 64 42.849 5.391 -15.236 1.00 1.00 H new ATOM 0 HD1 HIS A 64 42.619 7.010 -18.722 1.00 1.00 H new ATOM 0 HD2 HIS A 64 42.216 8.021 -14.660 1.00 1.00 H new ATOM 0 HE1 HIS A 64 41.815 9.434 -18.617 1.00 1.00 H new ATOM 852 N THR A 65 45.653 6.037 -14.536 1.00 1.00 N ATOM 853 CA THR A 65 46.435 6.884 -13.641 1.00 1.00 C ATOM 854 C THR A 65 47.793 7.165 -14.273 1.00 1.00 C ATOM 855 O THR A 65 48.369 8.237 -14.093 1.00 1.00 O ATOM 856 CB THR A 65 46.632 6.208 -12.271 1.00 1.00 C ATOM 857 OG1 THR A 65 47.347 4.995 -12.449 1.00 1.00 O ATOM 858 CG2 THR A 65 45.276 5.901 -11.604 1.00 1.00 C ATOM 0 H THR A 65 45.388 5.131 -14.149 1.00 1.00 H new ATOM 0 HA THR A 65 45.895 7.818 -13.486 1.00 1.00 H new ATOM 0 HB THR A 65 47.189 6.888 -11.627 1.00 1.00 H new ATOM 0 HG1 THR A 65 47.252 4.692 -13.376 1.00 1.00 H new ATOM 0 HG21 THR A 65 45.445 5.424 -10.639 1.00 1.00 H new ATOM 0 HG22 THR A 65 44.724 6.829 -11.458 1.00 1.00 H new ATOM 0 HG23 THR A 65 44.699 5.232 -12.243 1.00 1.00 H new ATOM 866 N ARG A 66 48.296 6.192 -15.026 1.00 1.00 N ATOM 867 CA ARG A 66 49.583 6.333 -15.693 1.00 1.00 C ATOM 868 C ARG A 66 49.567 7.526 -16.646 1.00 1.00 C ATOM 869 O ARG A 66 50.577 8.211 -16.811 1.00 1.00 O ATOM 870 CB ARG A 66 49.928 5.042 -16.458 1.00 1.00 C ATOM 871 CG ARG A 66 51.282 5.186 -17.226 1.00 1.00 C ATOM 872 CD ARG A 66 51.034 5.418 -18.725 1.00 1.00 C ATOM 873 NE ARG A 66 52.303 5.624 -19.422 1.00 1.00 N ATOM 874 CZ ARG A 66 52.893 6.817 -19.445 1.00 1.00 C ATOM 875 NH1 ARG A 66 52.356 7.822 -18.810 1.00 1.00 N ATOM 876 NH2 ARG A 66 54.010 6.982 -20.092 1.00 1.00 N ATOM 0 H ARG A 66 47.832 5.299 -15.189 1.00 1.00 H new ATOM 0 HA ARG A 66 50.348 6.509 -14.936 1.00 1.00 H new ATOM 0 HB2 ARG A 66 49.990 4.208 -15.759 1.00 1.00 H new ATOM 0 HB3 ARG A 66 49.130 4.809 -17.163 1.00 1.00 H new ATOM 0 HG2 ARG A 66 51.853 6.018 -16.814 1.00 1.00 H new ATOM 0 HG3 ARG A 66 51.882 4.287 -17.086 1.00 1.00 H new ATOM 0 HD2 ARG A 66 50.512 4.561 -19.151 1.00 1.00 H new ATOM 0 HD3 ARG A 66 50.389 6.286 -18.864 1.00 1.00 H new ATOM 0 HE ARG A 66 52.745 4.838 -19.900 1.00 1.00 H new ATOM 0 HH11 ARG A 66 51.484 7.693 -18.296 1.00 1.00 H new ATOM 0 HH12 ARG A 66 52.808 8.736 -18.827 1.00 1.00 H new ATOM 0 HH21 ARG A 66 54.436 6.196 -20.583 1.00 1.00 H new ATOM 0 HH22 ARG A 66 54.460 7.897 -20.108 1.00 1.00 H new ATOM 890 N ILE A 67 48.421 7.785 -17.266 1.00 1.00 N ATOM 891 CA ILE A 67 48.285 8.906 -18.188 1.00 1.00 C ATOM 892 C ILE A 67 48.519 10.222 -17.456 1.00 1.00 C ATOM 893 O ILE A 67 49.210 11.108 -17.960 1.00 1.00 O ATOM 894 CB ILE A 67 46.895 8.895 -18.843 1.00 1.00 C ATOM 895 CG1 ILE A 67 46.658 7.536 -19.523 1.00 1.00 C ATOM 896 CG2 ILE A 67 46.805 10.019 -19.879 1.00 1.00 C ATOM 897 CD1 ILE A 67 45.206 7.435 -19.998 1.00 1.00 C ATOM 0 H ILE A 67 47.572 7.233 -17.146 1.00 1.00 H new ATOM 0 HA ILE A 67 49.036 8.806 -18.972 1.00 1.00 H new ATOM 0 HB ILE A 67 46.133 9.052 -18.080 1.00 1.00 H new ATOM 0 HG12 ILE A 67 47.335 7.420 -20.369 1.00 1.00 H new ATOM 0 HG13 ILE A 67 46.878 6.728 -18.826 1.00 1.00 H new ATOM 0 HG21 ILE A 67 45.818 10.009 -20.342 1.00 1.00 H new ATOM 0 HG22 ILE A 67 46.966 10.979 -19.389 1.00 1.00 H new ATOM 0 HG23 ILE A 67 47.566 9.870 -20.645 1.00 1.00 H new ATOM 0 HD11 ILE A 67 45.047 6.470 -20.478 1.00 1.00 H new ATOM 0 HD12 ILE A 67 44.536 7.530 -19.143 1.00 1.00 H new ATOM 0 HD13 ILE A 67 45.000 8.233 -20.711 1.00 1.00 H new ATOM 909 N HIS A 68 47.957 10.360 -16.261 1.00 1.00 N ATOM 910 CA HIS A 68 48.126 11.579 -15.477 1.00 1.00 C ATOM 911 C HIS A 68 49.581 11.733 -15.049 1.00 1.00 C ATOM 912 O HIS A 68 50.120 12.840 -15.035 1.00 1.00 O ATOM 913 CB HIS A 68 47.217 11.539 -14.241 1.00 1.00 C ATOM 914 CG HIS A 68 45.776 11.634 -14.671 1.00 1.00 C ATOM 915 ND1 HIS A 68 45.319 12.662 -15.479 1.00 1.00 N ATOM 916 CD2 HIS A 68 44.682 10.844 -14.413 1.00 1.00 C ATOM 917 CE1 HIS A 68 44.005 12.468 -15.678 1.00 1.00 C ATOM 918 NE2 HIS A 68 43.563 11.373 -15.051 1.00 1.00 N ATOM 0 H HIS A 68 47.382 9.646 -15.814 1.00 1.00 H new ATOM 0 HA HIS A 68 47.849 12.434 -16.094 1.00 1.00 H new ATOM 0 HB2 HIS A 68 47.381 10.616 -13.686 1.00 1.00 H new ATOM 0 HB3 HIS A 68 47.462 12.362 -13.570 1.00 1.00 H new ATOM 0 HD1 HIS A 68 45.879 13.427 -15.855 1.00 1.00 H new ATOM 0 HD2 HIS A 68 44.689 9.949 -13.808 1.00 1.00 H new ATOM 0 HE1 HIS A 68 43.381 13.118 -16.273 1.00 1.00 H new ATOM 926 N SER A 69 50.219 10.621 -14.701 1.00 1.00 N ATOM 927 CA SER A 69 51.615 10.640 -14.278 1.00 1.00 C ATOM 928 C SER A 69 52.532 10.904 -15.470 1.00 1.00 C ATOM 929 O SER A 69 53.497 10.178 -15.702 1.00 1.00 O ATOM 930 CB SER A 69 51.985 9.303 -13.635 1.00 1.00 C ATOM 931 OG SER A 69 51.164 9.089 -12.492 1.00 1.00 O ATOM 0 H SER A 69 49.792 9.695 -14.703 1.00 1.00 H new ATOM 0 HA SER A 69 51.743 11.441 -13.550 1.00 1.00 H new ATOM 0 HB2 SER A 69 51.850 8.492 -14.351 1.00 1.00 H new ATOM 0 HB3 SER A 69 53.036 9.303 -13.347 1.00 1.00 H new ATOM 0 HG SER A 69 50.253 8.869 -12.780 1.00 1.00 H new ATOM 937 N GLY A 70 52.232 11.952 -16.231 1.00 1.00 N ATOM 938 CA GLY A 70 53.034 12.304 -17.400 1.00 1.00 C ATOM 939 C GLY A 70 52.720 13.720 -17.872 1.00 1.00 C ATOM 940 O GLY A 70 51.858 13.924 -18.728 1.00 1.00 O ATOM 0 H GLY A 70 51.440 12.572 -16.060 1.00 1.00 H new ATOM 0 HA2 GLY A 70 54.093 12.225 -17.156 1.00 1.00 H new ATOM 0 HA3 GLY A 70 52.839 11.597 -18.206 1.00 1.00 H new ATOM 944 N GLU A 71 53.430 14.692 -17.312 1.00 1.00 N ATOM 945 CA GLU A 71 53.226 16.089 -17.681 1.00 1.00 C ATOM 946 C GLU A 71 54.313 16.966 -17.070 1.00 1.00 C ATOM 947 O GLU A 71 54.071 18.115 -16.700 1.00 1.00 O ATOM 948 CB GLU A 71 51.846 16.561 -17.212 1.00 1.00 C ATOM 949 CG GLU A 71 51.691 16.304 -15.709 1.00 1.00 C ATOM 950 CD GLU A 71 50.307 16.754 -15.247 1.00 1.00 C ATOM 951 OE1 GLU A 71 49.354 16.506 -15.966 1.00 1.00 O ATOM 952 OE2 GLU A 71 50.223 17.340 -14.181 1.00 1.00 O ATOM 0 H GLU A 71 54.149 14.541 -16.604 1.00 1.00 H new ATOM 0 HA GLU A 71 53.280 16.173 -18.766 1.00 1.00 H new ATOM 0 HB2 GLU A 71 51.724 17.623 -17.423 1.00 1.00 H new ATOM 0 HB3 GLU A 71 51.066 16.035 -17.762 1.00 1.00 H new ATOM 0 HG2 GLU A 71 51.829 15.244 -15.496 1.00 1.00 H new ATOM 0 HG3 GLU A 71 52.462 16.843 -15.157 1.00 1.00 H new ATOM 959 N LYS A 72 55.520 16.418 -16.963 1.00 1.00 N ATOM 960 CA LYS A 72 56.661 17.144 -16.396 1.00 1.00 C ATOM 961 C LYS A 72 57.935 16.817 -17.183 1.00 1.00 C ATOM 962 O LYS A 72 58.948 16.420 -16.608 1.00 1.00 O ATOM 963 CB LYS A 72 56.843 16.754 -14.926 1.00 1.00 C ATOM 964 CG LYS A 72 55.525 16.974 -14.174 1.00 1.00 C ATOM 965 CD LYS A 72 55.741 16.762 -12.671 1.00 1.00 C ATOM 966 CE LYS A 72 54.407 16.914 -11.933 1.00 1.00 C ATOM 967 NZ LYS A 72 53.493 15.802 -12.320 1.00 1.00 N ATOM 0 H LYS A 72 55.738 15.468 -17.263 1.00 1.00 H new ATOM 0 HA LYS A 72 56.470 18.215 -16.462 1.00 1.00 H new ATOM 0 HB2 LYS A 72 57.148 15.710 -14.850 1.00 1.00 H new ATOM 0 HB3 LYS A 72 57.636 17.351 -14.475 1.00 1.00 H new ATOM 0 HG2 LYS A 72 55.155 17.982 -14.358 1.00 1.00 H new ATOM 0 HG3 LYS A 72 54.766 16.284 -14.542 1.00 1.00 H new ATOM 0 HD2 LYS A 72 56.158 15.771 -12.490 1.00 1.00 H new ATOM 0 HD3 LYS A 72 56.462 17.486 -12.292 1.00 1.00 H new ATOM 0 HE2 LYS A 72 54.572 16.904 -10.856 1.00 1.00 H new ATOM 0 HE3 LYS A 72 53.952 17.874 -12.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 52.729 15.721 -11.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 53.085 15.998 -13.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 54.027 14.910 -12.355 1.00 1.00 H new ATOM 981 N PRO A 73 57.913 16.986 -18.478 1.00 1.00 N ATOM 982 CA PRO A 73 59.099 16.700 -19.350 1.00 1.00 C ATOM 983 C PRO A 73 60.273 17.641 -19.070 1.00 1.00 C ATOM 984 O PRO A 73 60.086 18.803 -18.710 1.00 1.00 O ATOM 985 CB PRO A 73 58.548 16.874 -20.786 1.00 1.00 C ATOM 986 CG PRO A 73 57.375 17.797 -20.637 1.00 1.00 C ATOM 987 CD PRO A 73 56.759 17.463 -19.271 1.00 1.00 C ATOM 0 HA PRO A 73 59.510 15.706 -19.173 1.00 1.00 H new ATOM 0 HB2 PRO A 73 59.302 17.296 -21.450 1.00 1.00 H new ATOM 0 HB3 PRO A 73 58.247 15.917 -21.213 1.00 1.00 H new ATOM 0 HG2 PRO A 73 57.689 18.840 -20.681 1.00 1.00 H new ATOM 0 HG3 PRO A 73 56.653 17.647 -21.440 1.00 1.00 H new ATOM 0 HD2 PRO A 73 56.294 18.337 -18.816 1.00 1.00 H new ATOM 0 HD3 PRO A 73 55.987 16.698 -19.355 1.00 1.00 H new ATOM 995 N TYR A 74 61.487 17.128 -19.240 1.00 1.00 N ATOM 996 CA TYR A 74 62.690 17.919 -19.010 1.00 1.00 C ATOM 997 C TYR A 74 62.720 19.129 -19.940 1.00 1.00 C ATOM 998 O TYR A 74 62.673 18.930 -21.142 1.00 1.00 O ATOM 999 CB TYR A 74 63.936 17.059 -19.257 1.00 1.00 C ATOM 1000 CG TYR A 74 63.992 15.930 -18.246 1.00 1.00 C ATOM 1001 CD1 TYR A 74 64.634 16.122 -17.015 1.00 1.00 C ATOM 1002 CD2 TYR A 74 63.410 14.686 -18.542 1.00 1.00 C ATOM 1003 CE1 TYR A 74 64.694 15.079 -16.084 1.00 1.00 C ATOM 1004 CE2 TYR A 74 63.469 13.645 -17.607 1.00 1.00 C ATOM 1005 CZ TYR A 74 64.112 13.840 -16.380 1.00 1.00 C ATOM 1006 OH TYR A 74 64.172 12.813 -15.460 1.00 1.00 O ATOM 1007 OXT TYR A 74 62.791 20.238 -19.434 1.00 1.00 O ATOM 0 H TYR A 74 61.664 16.168 -19.536 1.00 1.00 H new ATOM 0 HA TYR A 74 62.682 18.265 -17.976 1.00 1.00 H new ATOM 0 HB2 TYR A 74 63.914 16.653 -20.268 1.00 1.00 H new ATOM 0 HB3 TYR A 74 64.833 17.673 -19.180 1.00 1.00 H new ATOM 0 HD1 TYR A 74 65.083 17.077 -16.785 1.00 1.00 H new ATOM 0 HD2 TYR A 74 62.917 14.532 -19.491 1.00 1.00 H new ATOM 0 HE1 TYR A 74 65.190 15.230 -15.136 1.00 1.00 H new ATOM 0 HE2 TYR A 74 63.017 12.690 -17.834 1.00 1.00 H new ATOM 0 HH TYR A 74 63.719 12.023 -15.822 1.00 1.00 H new TER 1017 TYR A 74 HETATM 1018 ZN ZN A 200 36.237 -2.284 6.080 1.00 1.00 ZN HETATM 1019 ZN ZN A 300 41.470 10.936 -15.316 1.00 1.00 ZN