USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -0.58 K(o=-0.41,f=-1.4) USER MOD Set 1.2: A 46 ASN : amide:sc= 0 K(o=-0.41,f=-1.1) USER MOD Set 1.3: A 47 ASN : amide:sc= 0.175 K(o=-0.41,f=-1.5) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -0.452 K(o=-1.5,f=-0.21) USER MOD Set 2.2: A 35 GLN : amide:sc= -1.01 K(o=-1.5,f=-0.21) USER MOD Single : A 1 LEU N :NH3+ 141:sc= 0.0278 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0.961 (180deg=0.855) USER MOD Single : A 5 GLN : amide:sc= -2.52! K(o=-2.5!,f=-0.035) USER MOD Single : A 6 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0915) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.863 K(o=0.86,f=-2.7!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.087) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -61:sc= 0.251 USER MOD Single : A 25 MET CE :methyl -164:sc= -0.0558 (180deg=-0.378) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc=-0.00226 (180deg=-0.11) USER MOD Single : A 38 SER OG : rot -121:sc= 1.31 USER MOD Single : A 39 SER OG : rot 55:sc= 0.611 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -75:sc= 1.23 USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 0.031 (180deg=0) USER MOD Single : A 51 SER OG : rot -98:sc= 1.07 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 56 ASN : amide:sc= -3.6! C(o=-3.6!,f=-15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.498 14.562 2.026 1.00 0.00 N ATOM 2 CA LEU A 1 4.589 13.349 2.828 1.00 0.00 C ATOM 3 C LEU A 1 5.758 12.514 2.432 1.00 0.00 C ATOM 4 O LEU A 1 6.094 12.420 1.257 1.00 0.00 O ATOM 5 CB LEU A 1 3.314 12.514 2.728 1.00 0.00 C ATOM 6 CG LEU A 1 2.162 12.942 3.616 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.919 12.138 3.277 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.546 12.715 5.069 1.00 0.00 C ATOM 0 H1 LEU A 1 3.500 14.761 1.809 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.903 15.360 2.556 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.026 14.432 1.139 1.00 0.00 H new ATOM 0 HA LEU A 1 4.721 13.671 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.973 12.532 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.563 11.479 2.964 1.00 0.00 H new ATOM 0 HG LEU A 1 1.949 13.999 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.096 12.452 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.650 12.307 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.118 11.078 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.723 13.020 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.759 11.658 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.432 13.304 5.307 1.00 0.00 H new ATOM 22 N LYS A 2 6.409 11.950 3.415 1.00 0.00 N ATOM 23 CA LYS A 2 7.453 11.011 3.177 1.00 0.00 C ATOM 24 C LYS A 2 6.958 9.634 3.583 1.00 0.00 C ATOM 25 O LYS A 2 6.762 9.343 4.766 1.00 0.00 O ATOM 26 CB LYS A 2 8.781 11.422 3.861 1.00 0.00 C ATOM 27 CG LYS A 2 8.682 11.707 5.352 1.00 0.00 C ATOM 28 CD LYS A 2 10.006 12.183 5.929 1.00 0.00 C ATOM 29 CE LYS A 2 9.875 12.553 7.406 1.00 0.00 C ATOM 30 NZ LYS A 2 8.988 13.723 7.629 1.00 0.00 N ATOM 0 H LYS A 2 6.224 12.134 4.401 1.00 0.00 H new ATOM 0 HA LYS A 2 7.698 10.989 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.511 10.627 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.168 12.311 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.917 12.464 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.363 10.805 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.756 11.400 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.359 13.047 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.485 11.697 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.864 12.770 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.868 13.878 8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.414 14.569 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.060 13.543 7.194 1.00 0.00 H new ATOM 44 N CYS A 3 6.703 8.826 2.607 1.00 0.00 N ATOM 45 CA CYS A 3 6.106 7.532 2.805 1.00 0.00 C ATOM 46 C CYS A 3 6.837 6.500 1.977 1.00 0.00 C ATOM 47 O CYS A 3 7.644 6.861 1.100 1.00 0.00 O ATOM 48 CB CYS A 3 4.615 7.567 2.458 1.00 0.00 C ATOM 49 SG CYS A 3 3.629 8.717 3.475 1.00 0.00 S ATOM 0 H CYS A 3 6.904 9.043 1.631 1.00 0.00 H new ATOM 0 HA CYS A 3 6.193 7.256 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.505 7.844 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.206 6.563 2.567 1.00 0.00 H new ATOM 54 N PHE A 4 6.603 5.231 2.259 1.00 0.00 N ATOM 55 CA PHE A 4 7.283 4.152 1.567 1.00 0.00 C ATOM 56 C PHE A 4 6.627 3.920 0.219 1.00 0.00 C ATOM 57 O PHE A 4 5.849 2.997 0.039 1.00 0.00 O ATOM 58 CB PHE A 4 7.277 2.862 2.394 1.00 0.00 C ATOM 59 CG PHE A 4 8.000 2.964 3.706 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.369 3.475 4.827 1.00 0.00 C ATOM 61 CD2 PHE A 4 9.303 2.541 3.818 1.00 0.00 C ATOM 62 CE1 PHE A 4 8.026 3.559 6.028 1.00 0.00 C ATOM 63 CE2 PHE A 4 9.967 2.621 5.017 1.00 0.00 C ATOM 64 CZ PHE A 4 9.326 3.131 6.127 1.00 0.00 C ATOM 0 H PHE A 4 5.940 4.921 2.970 1.00 0.00 H new ATOM 0 HA PHE A 4 8.324 4.441 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.244 2.571 2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.729 2.065 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.345 3.812 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.810 2.141 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.521 3.961 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.991 2.285 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.846 3.193 7.072 1.00 0.00 H new ATOM 74 N GLN A 5 6.882 4.822 -0.686 1.00 0.00 N ATOM 75 CA GLN A 5 6.292 4.788 -2.008 1.00 0.00 C ATOM 76 C GLN A 5 7.104 3.884 -2.927 1.00 0.00 C ATOM 77 O GLN A 5 6.565 3.135 -3.737 1.00 0.00 O ATOM 78 CB GLN A 5 6.257 6.202 -2.565 1.00 0.00 C ATOM 79 CG GLN A 5 5.589 6.346 -3.909 1.00 0.00 C ATOM 80 CD GLN A 5 5.749 7.733 -4.509 1.00 0.00 C ATOM 81 OE1 GLN A 5 4.868 8.210 -5.213 1.00 0.00 O ATOM 82 NE2 GLN A 5 6.889 8.359 -4.282 1.00 0.00 N ATOM 0 H GLN A 5 7.510 5.611 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 5 5.279 4.390 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.742 6.844 -1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.280 6.570 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.006 5.609 -4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.527 6.121 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.598 7.928 -3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.060 9.274 -4.699 1.00 0.00 H new ATOM 91 N HIS A 6 8.398 3.960 -2.785 1.00 0.00 N ATOM 92 CA HIS A 6 9.306 3.183 -3.609 1.00 0.00 C ATOM 93 C HIS A 6 9.893 2.050 -2.795 1.00 0.00 C ATOM 94 O HIS A 6 10.920 1.496 -3.131 1.00 0.00 O ATOM 95 CB HIS A 6 10.419 4.081 -4.198 1.00 0.00 C ATOM 96 CG HIS A 6 9.918 5.121 -5.173 1.00 0.00 C ATOM 97 ND1 HIS A 6 10.258 6.464 -5.137 1.00 0.00 N ATOM 98 CD2 HIS A 6 9.103 4.980 -6.248 1.00 0.00 C ATOM 99 CE1 HIS A 6 9.652 7.077 -6.159 1.00 0.00 C ATOM 100 NE2 HIS A 6 8.938 6.219 -6.868 1.00 0.00 N ATOM 0 H HIS A 6 8.860 4.558 -2.100 1.00 0.00 H new ATOM 0 HA HIS A 6 8.750 2.759 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.937 4.583 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.153 3.450 -4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.652 4.054 -6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.735 8.132 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 6 8.381 6.421 -7.698 1.00 0.00 H new ATOM 108 N GLY A 7 9.230 1.720 -1.712 1.00 0.00 N ATOM 109 CA GLY A 7 9.722 0.705 -0.800 1.00 0.00 C ATOM 110 C GLY A 7 10.471 1.355 0.328 1.00 0.00 C ATOM 111 O GLY A 7 10.466 0.885 1.467 1.00 0.00 O ATOM 0 H GLY A 7 8.343 2.141 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.889 0.121 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.375 0.012 -1.331 1.00 0.00 H new ATOM 115 N LYS A 8 11.131 2.427 -0.010 1.00 0.00 N ATOM 116 CA LYS A 8 11.837 3.249 0.925 1.00 0.00 C ATOM 117 C LYS A 8 11.068 4.528 1.173 1.00 0.00 C ATOM 118 O LYS A 8 10.157 4.874 0.392 1.00 0.00 O ATOM 119 CB LYS A 8 13.246 3.564 0.433 1.00 0.00 C ATOM 120 CG LYS A 8 14.168 2.356 0.364 1.00 0.00 C ATOM 121 CD LYS A 8 15.595 2.754 -0.004 1.00 0.00 C ATOM 122 CE LYS A 8 15.682 3.394 -1.383 1.00 0.00 C ATOM 123 NZ LYS A 8 15.255 2.478 -2.462 1.00 0.00 N ATOM 0 H LYS A 8 11.193 2.760 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 8 11.927 2.698 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.181 4.014 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.691 4.309 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.170 1.844 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.786 1.649 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.979 3.450 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.234 1.872 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.060 4.289 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.708 3.714 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.475 2.903 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.758 1.573 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.231 2.313 -2.392 1.00 0.00 H new ATOM 137 N VAL A 9 11.416 5.206 2.256 1.00 0.00 N ATOM 138 CA VAL A 9 10.813 6.479 2.620 1.00 0.00 C ATOM 139 C VAL A 9 11.231 7.522 1.610 1.00 0.00 C ATOM 140 O VAL A 9 12.411 7.874 1.517 1.00 0.00 O ATOM 141 CB VAL A 9 11.276 6.955 4.024 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.596 8.256 4.420 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.022 5.900 5.061 1.00 0.00 C ATOM 0 H VAL A 9 12.129 4.886 2.911 1.00 0.00 H new ATOM 0 HA VAL A 9 9.731 6.346 2.636 1.00 0.00 H new ATOM 0 HB VAL A 9 12.350 7.135 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.942 8.561 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.842 9.031 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.516 8.110 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.355 6.259 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.955 5.679 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.571 4.995 4.801 1.00 0.00 H new ATOM 153 N VAL A 10 10.301 7.967 0.835 1.00 0.00 N ATOM 154 CA VAL A 10 10.554 8.952 -0.178 1.00 0.00 C ATOM 155 C VAL A 10 9.528 10.060 -0.073 1.00 0.00 C ATOM 156 O VAL A 10 8.418 9.839 0.436 1.00 0.00 O ATOM 157 CB VAL A 10 10.535 8.344 -1.609 1.00 0.00 C ATOM 158 CG1 VAL A 10 11.602 7.280 -1.777 1.00 0.00 C ATOM 159 CG2 VAL A 10 9.189 7.765 -1.938 1.00 0.00 C ATOM 0 H VAL A 10 9.330 7.658 0.882 1.00 0.00 H new ATOM 0 HA VAL A 10 11.554 9.351 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 10 10.746 9.160 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.559 6.878 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.584 7.719 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.431 6.477 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.209 7.348 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.947 6.978 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.433 8.548 -1.884 1.00 0.00 H new ATOM 169 N THR A 11 9.899 11.231 -0.487 1.00 0.00 N ATOM 170 CA THR A 11 9.012 12.345 -0.492 1.00 0.00 C ATOM 171 C THR A 11 8.043 12.230 -1.675 1.00 0.00 C ATOM 172 O THR A 11 8.444 12.277 -2.841 1.00 0.00 O ATOM 173 CB THR A 11 9.804 13.671 -0.545 1.00 0.00 C ATOM 174 OG1 THR A 11 10.644 13.758 0.625 1.00 0.00 O ATOM 175 CG2 THR A 11 8.871 14.876 -0.583 1.00 0.00 C ATOM 0 H THR A 11 10.835 11.439 -0.834 1.00 0.00 H new ATOM 0 HA THR A 11 8.433 12.344 0.431 1.00 0.00 H new ATOM 0 HB THR A 11 10.405 13.679 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.153 14.595 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.461 15.792 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.237 14.817 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.248 14.882 0.311 1.00 0.00 H new ATOM 183 N CYS A 12 6.805 12.026 -1.355 1.00 0.00 N ATOM 184 CA CYS A 12 5.751 11.915 -2.315 1.00 0.00 C ATOM 185 C CYS A 12 5.335 13.314 -2.752 1.00 0.00 C ATOM 186 O CYS A 12 5.507 14.277 -1.983 1.00 0.00 O ATOM 187 CB CYS A 12 4.615 11.113 -1.681 1.00 0.00 C ATOM 188 SG CYS A 12 5.192 9.453 -1.132 1.00 0.00 S ATOM 0 H CYS A 12 6.489 11.929 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 12 6.065 11.385 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.212 11.660 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.803 10.999 -2.399 1.00 0.00 H new ATOM 193 N HIS A 13 4.845 13.444 -3.984 1.00 0.00 N ATOM 194 CA HIS A 13 4.522 14.742 -4.579 1.00 0.00 C ATOM 195 C HIS A 13 3.431 15.440 -3.775 1.00 0.00 C ATOM 196 O HIS A 13 2.715 14.804 -3.004 1.00 0.00 O ATOM 197 CB HIS A 13 4.081 14.564 -6.044 1.00 0.00 C ATOM 198 CG HIS A 13 4.320 15.766 -6.917 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.333 16.551 -7.500 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.493 16.282 -7.339 1.00 0.00 C ATOM 201 CE1 HIS A 13 3.940 17.488 -8.237 1.00 0.00 C ATOM 202 NE2 HIS A 13 5.255 17.365 -8.173 1.00 0.00 N ATOM 0 H HIS A 13 4.660 12.652 -4.599 1.00 0.00 H new ATOM 0 HA HIS A 13 5.416 15.365 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.610 13.711 -6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.018 14.322 -6.064 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.326 16.434 -7.386 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.470 15.909 -7.069 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.424 18.245 -8.809 1.00 0.00 H new ATOM 210 N ARG A 14 3.289 16.721 -3.963 1.00 0.00 N ATOM 211 CA ARG A 14 2.325 17.504 -3.192 1.00 0.00 C ATOM 212 C ARG A 14 0.871 17.175 -3.545 1.00 0.00 C ATOM 213 O ARG A 14 -0.046 17.486 -2.780 1.00 0.00 O ATOM 214 CB ARG A 14 2.623 18.994 -3.289 1.00 0.00 C ATOM 215 CG ARG A 14 3.934 19.378 -2.614 1.00 0.00 C ATOM 216 CD ARG A 14 4.221 20.857 -2.748 1.00 0.00 C ATOM 217 NE ARG A 14 4.450 21.257 -4.140 1.00 0.00 N ATOM 218 CZ ARG A 14 3.971 22.377 -4.711 1.00 0.00 C ATOM 219 NH1 ARG A 14 3.151 23.189 -4.029 1.00 0.00 N ATOM 220 NH2 ARG A 14 4.301 22.673 -5.963 1.00 0.00 N ATOM 0 H ARG A 14 3.824 17.261 -4.643 1.00 0.00 H new ATOM 0 HA ARG A 14 2.444 17.214 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.661 19.285 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.807 19.554 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.892 19.110 -1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.751 18.807 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.384 21.425 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.097 21.110 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 14 5.016 20.638 -4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.887 22.959 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.792 24.037 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.916 22.052 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.939 23.521 -6.399 1.00 0.00 H new ATOM 234 N ASP A 15 0.676 16.513 -4.678 1.00 0.00 N ATOM 235 CA ASP A 15 -0.656 16.052 -5.107 1.00 0.00 C ATOM 236 C ASP A 15 -1.029 14.827 -4.334 1.00 0.00 C ATOM 237 O ASP A 15 -2.204 14.491 -4.188 1.00 0.00 O ATOM 238 CB ASP A 15 -0.676 15.708 -6.601 1.00 0.00 C ATOM 239 CG ASP A 15 -0.473 16.900 -7.473 1.00 0.00 C ATOM 240 OD1 ASP A 15 0.687 17.326 -7.646 1.00 0.00 O ATOM 241 OD2 ASP A 15 -1.467 17.450 -7.991 1.00 0.00 O ATOM 0 H ASP A 15 1.426 16.277 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.365 16.859 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.102 14.974 -6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.629 15.241 -6.849 1.00 0.00 H new ATOM 246 N MET A 16 -0.018 14.154 -3.853 1.00 0.00 N ATOM 247 CA MET A 16 -0.171 12.956 -3.091 1.00 0.00 C ATOM 248 C MET A 16 -0.561 13.302 -1.689 1.00 0.00 C ATOM 249 O MET A 16 0.253 13.753 -0.883 1.00 0.00 O ATOM 250 CB MET A 16 1.102 12.091 -3.148 1.00 0.00 C ATOM 251 CG MET A 16 1.261 11.334 -4.435 1.00 0.00 C ATOM 252 SD MET A 16 1.401 12.373 -5.881 1.00 0.00 S ATOM 253 CE MET A 16 1.436 11.105 -7.113 1.00 0.00 C ATOM 0 H MET A 16 0.954 14.434 -3.986 1.00 0.00 H new ATOM 0 HA MET A 16 -0.969 12.353 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.972 12.731 -3.004 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.086 11.383 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.148 10.704 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.407 10.669 -4.560 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.522 11.559 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.291 10.452 -6.939 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.517 10.521 -7.061 1.00 0.00 H new ATOM 263 N LYS A 17 -1.817 13.154 -1.429 1.00 0.00 N ATOM 264 CA LYS A 17 -2.392 13.488 -0.159 1.00 0.00 C ATOM 265 C LYS A 17 -2.346 12.284 0.749 1.00 0.00 C ATOM 266 O LYS A 17 -2.320 12.405 1.980 1.00 0.00 O ATOM 267 CB LYS A 17 -3.846 13.942 -0.382 1.00 0.00 C ATOM 268 CG LYS A 17 -4.567 14.449 0.860 1.00 0.00 C ATOM 269 CD LYS A 17 -5.963 14.958 0.518 1.00 0.00 C ATOM 270 CE LYS A 17 -6.734 15.381 1.763 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.062 16.474 2.495 1.00 0.00 N ATOM 0 H LYS A 17 -2.490 12.791 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.830 14.295 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.852 14.732 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.411 13.106 -0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.639 13.647 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.987 15.250 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.884 15.804 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.516 14.177 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.736 15.701 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.851 14.522 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.685 16.819 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.176 16.121 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.851 17.253 1.839 1.00 0.00 H new ATOM 285 N PHE A 18 -2.270 11.130 0.148 1.00 0.00 N ATOM 286 CA PHE A 18 -2.381 9.915 0.882 1.00 0.00 C ATOM 287 C PHE A 18 -1.273 8.973 0.530 1.00 0.00 C ATOM 288 O PHE A 18 -0.802 8.940 -0.617 1.00 0.00 O ATOM 289 CB PHE A 18 -3.701 9.235 0.543 1.00 0.00 C ATOM 290 CG PHE A 18 -4.924 10.079 0.746 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.490 10.211 1.998 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.530 10.719 -0.331 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.630 10.955 2.179 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.663 11.467 -0.153 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.219 11.582 1.101 1.00 0.00 C ATOM 0 H PHE A 18 -2.131 11.012 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.328 10.158 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.669 8.914 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.795 8.335 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.031 9.723 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.102 10.625 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.064 11.049 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.120 11.966 -0.995 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.118 12.164 1.241 1.00 0.00 H new ATOM 305 N CYS A 19 -0.865 8.227 1.487 1.00 0.00 N ATOM 306 CA CYS A 19 0.064 7.169 1.301 1.00 0.00 C ATOM 307 C CYS A 19 -0.745 5.908 1.521 1.00 0.00 C ATOM 308 O CYS A 19 -1.507 5.833 2.491 1.00 0.00 O ATOM 309 CB CYS A 19 1.185 7.287 2.324 1.00 0.00 C ATOM 310 SG CYS A 19 1.929 8.957 2.398 1.00 0.00 S ATOM 0 H CYS A 19 -1.176 8.336 2.452 1.00 0.00 H new ATOM 0 HA CYS A 19 0.533 7.180 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.797 7.026 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.962 6.561 2.085 1.00 0.00 H new ATOM 315 N TYR A 20 -0.664 4.957 0.636 1.00 0.00 N ATOM 316 CA TYR A 20 -1.534 3.820 0.761 1.00 0.00 C ATOM 317 C TYR A 20 -0.803 2.520 0.928 1.00 0.00 C ATOM 318 O TYR A 20 0.405 2.409 0.650 1.00 0.00 O ATOM 319 CB TYR A 20 -2.525 3.715 -0.428 1.00 0.00 C ATOM 320 CG TYR A 20 -1.909 3.375 -1.787 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.683 2.050 -2.164 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.583 4.366 -2.691 1.00 0.00 C ATOM 323 CE1 TYR A 20 -1.152 1.732 -3.393 1.00 0.00 C ATOM 324 CE2 TYR A 20 -1.047 4.057 -3.926 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.837 2.743 -4.270 1.00 0.00 C ATOM 326 OH TYR A 20 -0.309 2.442 -5.493 1.00 0.00 O ATOM 0 H TYR A 20 -0.025 4.942 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.095 3.997 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.269 2.956 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.055 4.663 -0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.931 1.256 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.750 5.400 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.985 0.700 -3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.794 4.846 -4.619 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.144 3.270 -5.991 1.00 0.00 H new ATOM 336 N HIS A 21 -1.551 1.567 1.403 1.00 0.00 N ATOM 337 CA HIS A 21 -1.186 0.201 1.472 1.00 0.00 C ATOM 338 C HIS A 21 -2.320 -0.562 0.820 1.00 0.00 C ATOM 339 O HIS A 21 -3.428 -0.650 1.367 1.00 0.00 O ATOM 340 CB HIS A 21 -0.989 -0.274 2.922 1.00 0.00 C ATOM 341 CG HIS A 21 -0.571 -1.721 3.019 1.00 0.00 C ATOM 342 ND1 HIS A 21 -1.202 -2.665 3.799 1.00 0.00 N ATOM 343 CD2 HIS A 21 0.440 -2.375 2.401 1.00 0.00 C ATOM 344 CE1 HIS A 21 -0.572 -3.830 3.635 1.00 0.00 C ATOM 345 NE2 HIS A 21 0.434 -3.708 2.790 1.00 0.00 N ATOM 0 H HIS A 21 -2.485 1.744 1.772 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.233 0.036 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.235 0.349 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.918 -0.133 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.142 -1.929 1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.849 -4.750 4.128 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.075 -4.441 2.486 1.00 0.00 H new ATOM 353 N ASN A 22 -2.078 -1.030 -0.351 1.00 0.00 N ATOM 354 CA ASN A 22 -3.064 -1.750 -1.095 1.00 0.00 C ATOM 355 C ASN A 22 -2.799 -3.220 -0.896 1.00 0.00 C ATOM 356 O ASN A 22 -1.693 -3.687 -1.127 1.00 0.00 O ATOM 357 CB ASN A 22 -2.983 -1.377 -2.577 1.00 0.00 C ATOM 358 CG ASN A 22 -4.167 -1.870 -3.369 1.00 0.00 C ATOM 359 OD1 ASN A 22 -4.185 -2.985 -3.890 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.149 -1.031 -3.505 1.00 0.00 N ATOM 0 H ASN A 22 -1.184 -0.926 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.067 -1.501 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.915 -0.293 -2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.069 -1.792 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.967 -1.289 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.102 -0.115 -3.060 1.00 0.00 H new ATOM 367 N THR A 23 -3.762 -3.926 -0.422 1.00 0.00 N ATOM 368 CA THR A 23 -3.589 -5.314 -0.114 1.00 0.00 C ATOM 369 C THR A 23 -3.949 -6.206 -1.296 1.00 0.00 C ATOM 370 O THR A 23 -5.066 -6.141 -1.827 1.00 0.00 O ATOM 371 CB THR A 23 -4.419 -5.705 1.138 1.00 0.00 C ATOM 372 OG1 THR A 23 -5.789 -5.304 0.965 1.00 0.00 O ATOM 373 CG2 THR A 23 -3.869 -5.035 2.382 1.00 0.00 C ATOM 0 H THR A 23 -4.697 -3.564 -0.234 1.00 0.00 H new ATOM 0 HA THR A 23 -2.533 -5.470 0.104 1.00 0.00 H new ATOM 0 HB THR A 23 -4.358 -6.787 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.833 -4.332 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.467 -5.324 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.836 -5.346 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.908 -3.953 2.260 1.00 0.00 H new ATOM 381 N GLY A 24 -2.996 -6.985 -1.743 1.00 0.00 N ATOM 382 CA GLY A 24 -3.256 -7.958 -2.770 1.00 0.00 C ATOM 383 C GLY A 24 -3.524 -9.295 -2.128 1.00 0.00 C ATOM 384 O GLY A 24 -3.592 -9.375 -0.888 1.00 0.00 O ATOM 0 H GLY A 24 -2.032 -6.963 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.112 -7.651 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.403 -8.029 -3.445 1.00 0.00 H new ATOM 388 N MET A 25 -3.681 -10.330 -2.913 1.00 0.00 N ATOM 389 CA MET A 25 -3.893 -11.661 -2.364 1.00 0.00 C ATOM 390 C MET A 25 -2.594 -12.180 -1.768 1.00 0.00 C ATOM 391 O MET A 25 -1.514 -11.805 -2.223 1.00 0.00 O ATOM 392 CB MET A 25 -4.433 -12.646 -3.422 1.00 0.00 C ATOM 393 CG MET A 25 -5.856 -12.359 -3.877 1.00 0.00 C ATOM 394 SD MET A 25 -6.492 -13.575 -5.065 1.00 0.00 S ATOM 395 CE MET A 25 -5.376 -13.325 -6.448 1.00 0.00 C ATOM 0 H MET A 25 -3.667 -10.286 -3.932 1.00 0.00 H new ATOM 0 HA MET A 25 -4.650 -11.585 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.775 -12.624 -4.291 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.391 -13.656 -3.015 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.511 -12.337 -3.006 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.892 -11.368 -4.329 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.799 -13.780 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.237 -12.257 -6.615 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.413 -13.786 -6.227 1.00 0.00 H new ATOM 405 N PRO A 26 -2.667 -12.993 -0.714 1.00 0.00 N ATOM 406 CA PRO A 26 -1.479 -13.566 -0.091 1.00 0.00 C ATOM 407 C PRO A 26 -0.765 -14.569 -1.013 1.00 0.00 C ATOM 408 O PRO A 26 -1.301 -15.641 -1.334 1.00 0.00 O ATOM 409 CB PRO A 26 -2.028 -14.277 1.155 1.00 0.00 C ATOM 410 CG PRO A 26 -3.460 -14.537 0.843 1.00 0.00 C ATOM 411 CD PRO A 26 -3.906 -13.394 -0.013 1.00 0.00 C ATOM 0 HA PRO A 26 -0.733 -12.805 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.491 -15.205 1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.923 -13.655 2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.580 -15.486 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.054 -14.597 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.685 -13.695 -0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.313 -12.578 0.585 1.00 0.00 H new ATOM 419 N PHE A 27 0.393 -14.192 -1.484 1.00 0.00 N ATOM 420 CA PHE A 27 1.224 -15.065 -2.291 1.00 0.00 C ATOM 421 C PHE A 27 2.455 -15.441 -1.496 1.00 0.00 C ATOM 422 O PHE A 27 3.011 -14.605 -0.768 1.00 0.00 O ATOM 423 CB PHE A 27 1.666 -14.382 -3.602 1.00 0.00 C ATOM 424 CG PHE A 27 0.601 -14.192 -4.657 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.310 -13.161 -4.575 1.00 0.00 C ATOM 426 CD2 PHE A 27 0.536 -15.044 -5.746 1.00 0.00 C ATOM 427 CE1 PHE A 27 -1.268 -12.978 -5.552 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.416 -14.867 -6.730 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.319 -13.831 -6.631 1.00 0.00 C ATOM 0 H PHE A 27 0.794 -13.268 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 27 0.639 -15.948 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.079 -13.404 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.475 -14.969 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.274 -12.486 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.240 -15.859 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.976 -12.167 -5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.453 -15.539 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.065 -13.689 -7.399 1.00 0.00 H new ATOM 439 N ARG A 28 2.853 -16.676 -1.581 1.00 0.00 N ATOM 440 CA ARG A 28 4.073 -17.118 -0.941 1.00 0.00 C ATOM 441 C ARG A 28 5.198 -16.996 -1.945 1.00 0.00 C ATOM 442 O ARG A 28 4.955 -17.125 -3.149 1.00 0.00 O ATOM 443 CB ARG A 28 3.942 -18.557 -0.423 1.00 0.00 C ATOM 444 CG ARG A 28 3.656 -19.601 -1.498 1.00 0.00 C ATOM 445 CD ARG A 28 3.440 -20.971 -0.888 1.00 0.00 C ATOM 446 NE ARG A 28 2.316 -20.970 0.057 1.00 0.00 N ATOM 447 CZ ARG A 28 2.040 -21.946 0.924 1.00 0.00 C ATOM 448 NH1 ARG A 28 2.745 -23.069 0.920 1.00 0.00 N ATOM 449 NH2 ARG A 28 1.040 -21.805 1.774 1.00 0.00 N ATOM 0 H ARG A 28 2.352 -17.405 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 28 4.282 -16.494 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.864 -18.828 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.143 -18.590 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.772 -19.309 -2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.488 -19.640 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.251 -21.697 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.348 -21.289 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 28 1.697 -20.159 0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.505 -23.192 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.527 -23.810 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.481 -20.952 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.826 -22.549 2.438 1.00 0.00 H new ATOM 463 N ASN A 29 6.404 -16.671 -1.464 1.00 0.00 N ATOM 464 CA ASN A 29 7.612 -16.472 -2.306 1.00 0.00 C ATOM 465 C ASN A 29 7.461 -15.237 -3.199 1.00 0.00 C ATOM 466 O ASN A 29 8.294 -14.964 -4.069 1.00 0.00 O ATOM 467 CB ASN A 29 7.928 -17.705 -3.174 1.00 0.00 C ATOM 468 CG ASN A 29 8.180 -18.975 -2.386 1.00 0.00 C ATOM 469 OD1 ASN A 29 7.250 -19.747 -2.118 1.00 0.00 O ATOM 470 ND2 ASN A 29 9.411 -19.218 -2.019 1.00 0.00 N ATOM 0 H ASN A 29 6.581 -16.535 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 29 8.446 -16.321 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.097 -17.875 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.805 -17.490 -3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.629 -20.065 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.153 -18.560 -2.257 1.00 0.00 H new ATOM 477 N LEU A 30 6.407 -14.501 -2.973 1.00 0.00 N ATOM 478 CA LEU A 30 6.105 -13.322 -3.712 1.00 0.00 C ATOM 479 C LEU A 30 5.402 -12.359 -2.800 1.00 0.00 C ATOM 480 O LEU A 30 4.181 -12.398 -2.651 1.00 0.00 O ATOM 481 CB LEU A 30 5.235 -13.638 -4.942 1.00 0.00 C ATOM 482 CG LEU A 30 4.867 -12.453 -5.847 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.111 -11.818 -6.455 1.00 0.00 C ATOM 484 CD2 LEU A 30 3.906 -12.897 -6.935 1.00 0.00 C ATOM 0 H LEU A 30 5.721 -14.717 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 30 7.031 -12.880 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.757 -14.379 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.311 -14.102 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 30 4.374 -11.699 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.819 -10.982 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.762 -11.458 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.643 -12.559 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.655 -12.046 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.375 -13.673 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.998 -13.291 -6.479 1.00 0.00 H new ATOM 496 N LYS A 31 6.162 -11.557 -2.121 1.00 0.00 N ATOM 497 CA LYS A 31 5.582 -10.585 -1.251 1.00 0.00 C ATOM 498 C LYS A 31 5.325 -9.309 -2.005 1.00 0.00 C ATOM 499 O LYS A 31 6.154 -8.391 -2.040 1.00 0.00 O ATOM 500 CB LYS A 31 6.392 -10.374 0.049 1.00 0.00 C ATOM 501 CG LYS A 31 7.875 -10.065 -0.140 1.00 0.00 C ATOM 502 CD LYS A 31 8.570 -9.805 1.192 1.00 0.00 C ATOM 503 CE LYS A 31 8.559 -11.031 2.102 1.00 0.00 C ATOM 504 NZ LYS A 31 9.313 -12.164 1.520 1.00 0.00 N ATOM 0 H LYS A 31 7.182 -11.557 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 31 4.621 -10.970 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.938 -9.557 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.301 -11.271 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.359 -10.900 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.986 -9.193 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.601 -9.501 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.079 -8.975 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.989 -10.768 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.529 -11.337 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.424 -12.911 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.794 -12.542 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.251 -11.836 1.213 1.00 0.00 H new ATOM 518 N LEU A 32 4.214 -9.293 -2.686 1.00 0.00 N ATOM 519 CA LEU A 32 3.840 -8.156 -3.448 1.00 0.00 C ATOM 520 C LEU A 32 3.310 -7.058 -2.557 1.00 0.00 C ATOM 521 O LEU A 32 2.227 -7.140 -1.990 1.00 0.00 O ATOM 522 CB LEU A 32 2.930 -8.527 -4.667 1.00 0.00 C ATOM 523 CG LEU A 32 1.799 -9.583 -4.482 1.00 0.00 C ATOM 524 CD1 LEU A 32 0.633 -9.076 -3.649 1.00 0.00 C ATOM 525 CD2 LEU A 32 1.313 -10.072 -5.835 1.00 0.00 C ATOM 0 H LEU A 32 3.552 -10.068 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 32 4.733 -7.740 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.464 -7.607 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.581 -8.881 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 32 2.234 -10.413 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.118 -9.860 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.988 -8.799 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.192 -8.205 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.523 -10.809 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.925 -9.230 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.142 -10.528 -6.376 1.00 0.00 H new ATOM 537 N ILE A 33 4.118 -6.061 -2.391 1.00 0.00 N ATOM 538 CA ILE A 33 3.789 -4.961 -1.556 1.00 0.00 C ATOM 539 C ILE A 33 3.284 -3.825 -2.429 1.00 0.00 C ATOM 540 O ILE A 33 3.903 -3.475 -3.445 1.00 0.00 O ATOM 541 CB ILE A 33 5.015 -4.519 -0.659 1.00 0.00 C ATOM 542 CG1 ILE A 33 4.638 -3.417 0.326 1.00 0.00 C ATOM 543 CG2 ILE A 33 6.213 -4.090 -1.481 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.627 -3.845 1.355 1.00 0.00 C ATOM 0 H ILE A 33 5.032 -5.991 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 33 3.003 -5.255 -0.861 1.00 0.00 H new ATOM 0 HB ILE A 33 5.298 -5.406 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.538 -3.074 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.241 -2.567 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.025 -3.797 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.539 -4.919 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.938 -3.244 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.408 -3.009 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.711 -4.161 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.028 -4.675 1.936 1.00 0.00 H new ATOM 556 N LEU A 34 2.144 -3.318 -2.102 1.00 0.00 N ATOM 557 CA LEU A 34 1.567 -2.233 -2.839 1.00 0.00 C ATOM 558 C LEU A 34 1.456 -1.027 -1.949 1.00 0.00 C ATOM 559 O LEU A 34 0.450 -0.826 -1.272 1.00 0.00 O ATOM 560 CB LEU A 34 0.204 -2.622 -3.410 1.00 0.00 C ATOM 561 CG LEU A 34 0.188 -3.836 -4.344 1.00 0.00 C ATOM 562 CD1 LEU A 34 -1.229 -4.199 -4.739 1.00 0.00 C ATOM 563 CD2 LEU A 34 1.031 -3.586 -5.582 1.00 0.00 C ATOM 0 H LEU A 34 1.581 -3.641 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 34 2.215 -1.992 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.473 -2.819 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.198 -1.766 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 34 0.620 -4.675 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.212 -5.064 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.806 -4.438 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.690 -3.356 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.001 -4.465 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.637 -2.726 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.061 -3.388 -5.287 1.00 0.00 H new ATOM 575 N GLN A 35 2.524 -0.290 -1.869 1.00 0.00 N ATOM 576 CA GLN A 35 2.565 0.905 -1.081 1.00 0.00 C ATOM 577 C GLN A 35 3.065 2.030 -1.912 1.00 0.00 C ATOM 578 O GLN A 35 4.200 2.015 -2.382 1.00 0.00 O ATOM 579 CB GLN A 35 3.427 0.746 0.165 1.00 0.00 C ATOM 580 CG GLN A 35 2.869 -0.229 1.167 1.00 0.00 C ATOM 581 CD GLN A 35 3.684 -0.330 2.433 1.00 0.00 C ATOM 582 OE1 GLN A 35 3.144 -0.606 3.506 1.00 0.00 O ATOM 583 NE2 GLN A 35 4.971 -0.124 2.333 1.00 0.00 N ATOM 0 H GLN A 35 3.397 -0.503 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 35 1.551 1.116 -0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.423 0.418 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.542 1.719 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.852 0.068 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.807 -1.215 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.382 0.102 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.564 -0.190 3.160 1.00 0.00 H new ATOM 592 N GLY A 36 2.229 2.974 -2.118 1.00 0.00 N ATOM 593 CA GLY A 36 2.576 4.102 -2.892 1.00 0.00 C ATOM 594 C GLY A 36 1.930 5.308 -2.338 1.00 0.00 C ATOM 595 O GLY A 36 1.248 5.231 -1.316 1.00 0.00 O ATOM 0 H GLY A 36 1.277 2.986 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.658 4.230 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.265 3.954 -3.926 1.00 0.00 H new ATOM 599 N CYS A 37 2.125 6.401 -2.965 1.00 0.00 N ATOM 600 CA CYS A 37 1.467 7.600 -2.574 1.00 0.00 C ATOM 601 C CYS A 37 0.522 7.973 -3.668 1.00 0.00 C ATOM 602 O CYS A 37 0.867 7.872 -4.850 1.00 0.00 O ATOM 603 CB CYS A 37 2.461 8.712 -2.261 1.00 0.00 C ATOM 604 SG CYS A 37 3.518 8.356 -0.824 1.00 0.00 S ATOM 0 H CYS A 37 2.746 6.499 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 37 0.912 7.443 -1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.092 8.881 -3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.914 9.637 -2.080 1.00 0.00 H new ATOM 609 N SER A 38 -0.659 8.360 -3.310 1.00 0.00 N ATOM 610 CA SER A 38 -1.665 8.615 -4.286 1.00 0.00 C ATOM 611 C SER A 38 -2.331 9.957 -4.006 1.00 0.00 C ATOM 612 O SER A 38 -2.297 10.465 -2.868 1.00 0.00 O ATOM 613 CB SER A 38 -2.677 7.454 -4.271 1.00 0.00 C ATOM 614 OG SER A 38 -3.566 7.503 -5.367 1.00 0.00 O ATOM 0 H SER A 38 -0.951 8.507 -2.344 1.00 0.00 H new ATOM 0 HA SER A 38 -1.225 8.674 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.139 6.506 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.247 7.484 -3.342 1.00 0.00 H new ATOM 0 HG SER A 38 -4.488 7.554 -5.038 1.00 0.00 H new ATOM 620 N SER A 39 -2.884 10.539 -5.036 1.00 0.00 N ATOM 621 CA SER A 39 -3.556 11.800 -4.950 1.00 0.00 C ATOM 622 C SER A 39 -4.995 11.555 -4.495 1.00 0.00 C ATOM 623 O SER A 39 -5.500 12.228 -3.588 1.00 0.00 O ATOM 624 CB SER A 39 -3.509 12.474 -6.327 1.00 0.00 C ATOM 625 OG SER A 39 -4.012 13.804 -6.309 1.00 0.00 O ATOM 0 H SER A 39 -2.878 10.139 -5.974 1.00 0.00 H new ATOM 0 HA SER A 39 -3.073 12.458 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.480 12.485 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.087 11.882 -7.036 1.00 0.00 H new ATOM 0 HG SER A 39 -3.533 14.326 -5.632 1.00 0.00 H new ATOM 631 N SER A 40 -5.630 10.594 -5.114 1.00 0.00 N ATOM 632 CA SER A 40 -6.963 10.197 -4.757 1.00 0.00 C ATOM 633 C SER A 40 -6.888 8.854 -4.045 1.00 0.00 C ATOM 634 O SER A 40 -5.887 8.135 -4.181 1.00 0.00 O ATOM 635 CB SER A 40 -7.823 10.090 -6.017 1.00 0.00 C ATOM 636 OG SER A 40 -7.833 11.326 -6.731 1.00 0.00 O ATOM 0 H SER A 40 -5.231 10.061 -5.887 1.00 0.00 H new ATOM 0 HA SER A 40 -7.417 10.936 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.438 9.297 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.842 9.814 -5.745 1.00 0.00 H new ATOM 0 HG SER A 40 -8.387 11.235 -7.534 1.00 0.00 H new ATOM 642 N CYS A 41 -7.890 8.527 -3.285 1.00 0.00 N ATOM 643 CA CYS A 41 -7.910 7.286 -2.574 1.00 0.00 C ATOM 644 C CYS A 41 -9.324 6.804 -2.374 1.00 0.00 C ATOM 645 O CYS A 41 -10.260 7.603 -2.330 1.00 0.00 O ATOM 646 CB CYS A 41 -7.229 7.440 -1.208 1.00 0.00 C ATOM 647 SG CYS A 41 -7.326 5.940 -0.174 1.00 0.00 S ATOM 0 H CYS A 41 -8.714 9.111 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.366 6.552 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.181 7.700 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.689 8.271 -0.673 1.00 0.00 H new ATOM 652 N SER A 42 -9.484 5.504 -2.338 1.00 0.00 N ATOM 653 CA SER A 42 -10.715 4.886 -1.960 1.00 0.00 C ATOM 654 C SER A 42 -10.432 4.020 -0.728 1.00 0.00 C ATOM 655 O SER A 42 -9.941 2.880 -0.852 1.00 0.00 O ATOM 656 CB SER A 42 -11.239 4.029 -3.104 1.00 0.00 C ATOM 657 OG SER A 42 -11.257 4.774 -4.318 1.00 0.00 O ATOM 0 H SER A 42 -8.746 4.841 -2.576 1.00 0.00 H new ATOM 0 HA SER A 42 -11.472 5.636 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.611 3.146 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.244 3.677 -2.872 1.00 0.00 H new ATOM 0 HG SER A 42 -11.595 4.209 -5.044 1.00 0.00 H new ATOM 663 N GLU A 43 -10.620 4.599 0.448 1.00 0.00 N ATOM 664 CA GLU A 43 -10.361 3.905 1.702 1.00 0.00 C ATOM 665 C GLU A 43 -11.271 2.713 1.859 1.00 0.00 C ATOM 666 O GLU A 43 -12.485 2.849 2.060 1.00 0.00 O ATOM 667 CB GLU A 43 -10.482 4.820 2.928 1.00 0.00 C ATOM 668 CG GLU A 43 -9.625 6.070 2.874 1.00 0.00 C ATOM 669 CD GLU A 43 -10.339 7.245 2.236 1.00 0.00 C ATOM 670 OE1 GLU A 43 -10.487 7.287 1.000 1.00 0.00 O ATOM 671 OE2 GLU A 43 -10.776 8.148 2.982 1.00 0.00 O ATOM 0 H GLU A 43 -10.954 5.556 0.561 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.326 3.566 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.525 5.116 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.213 4.250 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.322 6.341 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.714 5.857 2.314 1.00 0.00 H new ATOM 678 N THR A 44 -10.688 1.570 1.766 1.00 0.00 N ATOM 679 CA THR A 44 -11.377 0.314 1.831 1.00 0.00 C ATOM 680 C THR A 44 -10.539 -0.650 2.662 1.00 0.00 C ATOM 681 O THR A 44 -9.552 -0.236 3.282 1.00 0.00 O ATOM 682 CB THR A 44 -11.552 -0.249 0.399 1.00 0.00 C ATOM 683 OG1 THR A 44 -10.316 -0.111 -0.320 1.00 0.00 O ATOM 684 CG2 THR A 44 -12.660 0.465 -0.359 1.00 0.00 C ATOM 0 H THR A 44 -9.681 1.472 1.638 1.00 0.00 H new ATOM 0 HA THR A 44 -12.359 0.443 2.286 1.00 0.00 H new ATOM 0 HB THR A 44 -11.829 -1.300 0.483 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.194 0.825 -0.584 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.750 0.040 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.603 0.342 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.423 1.526 -0.436 1.00 0.00 H new ATOM 692 N GLU A 45 -10.928 -1.908 2.705 1.00 0.00 N ATOM 693 CA GLU A 45 -10.126 -2.905 3.368 1.00 0.00 C ATOM 694 C GLU A 45 -8.968 -3.251 2.446 1.00 0.00 C ATOM 695 O GLU A 45 -7.842 -3.497 2.885 1.00 0.00 O ATOM 696 CB GLU A 45 -10.960 -4.143 3.682 1.00 0.00 C ATOM 697 CG GLU A 45 -10.237 -5.178 4.514 1.00 0.00 C ATOM 698 CD GLU A 45 -11.079 -6.383 4.788 1.00 0.00 C ATOM 699 OE1 GLU A 45 -11.897 -6.356 5.734 1.00 0.00 O ATOM 700 OE2 GLU A 45 -10.952 -7.385 4.075 1.00 0.00 O ATOM 0 H GLU A 45 -11.791 -2.259 2.290 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.750 -2.522 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.864 -3.836 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.277 -4.602 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.328 -5.484 3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.931 -4.730 5.459 1.00 0.00 H new ATOM 707 N ASN A 46 -9.271 -3.213 1.161 1.00 0.00 N ATOM 708 CA ASN A 46 -8.319 -3.466 0.102 1.00 0.00 C ATOM 709 C ASN A 46 -7.267 -2.385 0.085 1.00 0.00 C ATOM 710 O ASN A 46 -6.076 -2.658 0.237 1.00 0.00 O ATOM 711 CB ASN A 46 -9.045 -3.513 -1.252 1.00 0.00 C ATOM 712 CG ASN A 46 -8.115 -3.672 -2.448 1.00 0.00 C ATOM 713 OD1 ASN A 46 -7.648 -2.687 -3.028 1.00 0.00 O ATOM 714 ND2 ASN A 46 -7.862 -4.892 -2.845 1.00 0.00 N ATOM 0 H ASN A 46 -10.208 -3.000 0.820 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.836 -4.427 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.754 -4.340 -1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.624 -2.598 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.263 -5.051 -3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.263 -5.685 -2.344 1.00 0.00 H new ATOM 721 N ASN A 47 -7.697 -1.172 -0.065 1.00 0.00 N ATOM 722 CA ASN A 47 -6.797 -0.071 -0.150 1.00 0.00 C ATOM 723 C ASN A 47 -6.904 0.788 1.086 1.00 0.00 C ATOM 724 O ASN A 47 -7.913 1.470 1.307 1.00 0.00 O ATOM 725 CB ASN A 47 -7.082 0.731 -1.410 1.00 0.00 C ATOM 726 CG ASN A 47 -6.198 1.931 -1.544 1.00 0.00 C ATOM 727 OD1 ASN A 47 -5.107 1.853 -2.104 1.00 0.00 O ATOM 728 ND2 ASN A 47 -6.667 3.039 -1.067 1.00 0.00 N ATOM 0 H ASN A 47 -8.683 -0.919 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.774 -0.443 -0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.951 0.089 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.124 1.051 -1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.125 3.899 -1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.579 3.052 -0.610 1.00 0.00 H new ATOM 735 N LYS A 48 -5.882 0.742 1.879 1.00 0.00 N ATOM 736 CA LYS A 48 -5.827 1.464 3.124 1.00 0.00 C ATOM 737 C LYS A 48 -4.970 2.705 2.928 1.00 0.00 C ATOM 738 O LYS A 48 -3.819 2.597 2.521 1.00 0.00 O ATOM 739 CB LYS A 48 -5.185 0.567 4.186 1.00 0.00 C ATOM 740 CG LYS A 48 -5.848 -0.798 4.326 1.00 0.00 C ATOM 741 CD LYS A 48 -5.074 -1.690 5.279 1.00 0.00 C ATOM 742 CE LYS A 48 -5.659 -3.102 5.356 1.00 0.00 C ATOM 743 NZ LYS A 48 -7.011 -3.138 5.936 1.00 0.00 N ATOM 0 H LYS A 48 -5.044 0.194 1.683 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.829 1.752 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.133 0.425 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.221 1.078 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.869 -0.674 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.913 -1.276 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.034 -1.747 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.076 -1.244 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.689 -3.531 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.998 -3.730 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.077 -3.924 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.202 -2.241 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.710 -3.274 5.178 1.00 0.00 H new ATOM 757 N CYS A 49 -5.519 3.862 3.175 1.00 0.00 N ATOM 758 CA CYS A 49 -4.755 5.093 3.038 1.00 0.00 C ATOM 759 C CYS A 49 -4.562 5.767 4.357 1.00 0.00 C ATOM 760 O CYS A 49 -5.429 5.711 5.230 1.00 0.00 O ATOM 761 CB CYS A 49 -5.404 6.074 2.080 1.00 0.00 C ATOM 762 SG CYS A 49 -5.428 5.552 0.351 1.00 0.00 S ATOM 0 H CYS A 49 -6.487 3.989 3.471 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.788 4.797 2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.429 6.251 2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.879 7.027 2.149 1.00 0.00 H new ATOM 767 N CYS A 50 -3.436 6.375 4.501 1.00 0.00 N ATOM 768 CA CYS A 50 -3.101 7.132 5.657 1.00 0.00 C ATOM 769 C CYS A 50 -2.371 8.385 5.197 1.00 0.00 C ATOM 770 O CYS A 50 -1.803 8.409 4.097 1.00 0.00 O ATOM 771 CB CYS A 50 -2.222 6.283 6.571 1.00 0.00 C ATOM 772 SG CYS A 50 -0.763 5.584 5.726 1.00 0.00 S ATOM 0 H CYS A 50 -2.700 6.359 3.795 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.991 7.420 6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.889 6.892 7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.818 5.469 6.984 1.00 0.00 H new ATOM 777 N SER A 51 -2.419 9.415 5.979 1.00 0.00 N ATOM 778 CA SER A 51 -1.753 10.630 5.645 1.00 0.00 C ATOM 779 C SER A 51 -0.877 11.085 6.814 1.00 0.00 C ATOM 780 O SER A 51 -1.227 12.000 7.572 1.00 0.00 O ATOM 781 CB SER A 51 -2.777 11.703 5.240 1.00 0.00 C ATOM 782 OG SER A 51 -3.581 11.251 4.162 1.00 0.00 O ATOM 0 H SER A 51 -2.921 9.437 6.867 1.00 0.00 H new ATOM 0 HA SER A 51 -1.100 10.464 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.409 11.949 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.258 12.618 4.954 1.00 0.00 H new ATOM 0 HG SER A 51 -3.226 11.603 3.319 1.00 0.00 H new ATOM 788 N THR A 52 0.190 10.353 7.046 1.00 0.00 N ATOM 789 CA THR A 52 1.163 10.677 8.066 1.00 0.00 C ATOM 790 C THR A 52 2.517 10.176 7.576 1.00 0.00 C ATOM 791 O THR A 52 2.573 9.247 6.761 1.00 0.00 O ATOM 792 CB THR A 52 0.809 10.011 9.422 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.582 10.214 9.701 1.00 0.00 O ATOM 794 CG2 THR A 52 1.614 10.624 10.567 1.00 0.00 C ATOM 0 H THR A 52 0.409 9.504 6.524 1.00 0.00 H new ATOM 0 HA THR A 52 1.177 11.754 8.233 1.00 0.00 H new ATOM 0 HB THR A 52 1.044 8.949 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.809 9.793 10.556 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.344 10.136 11.504 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.679 10.484 10.379 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.395 11.690 10.636 1.00 0.00 H new ATOM 802 N ASP A 53 3.577 10.772 8.049 1.00 0.00 N ATOM 803 CA ASP A 53 4.924 10.415 7.621 1.00 0.00 C ATOM 804 C ASP A 53 5.238 9.005 8.015 1.00 0.00 C ATOM 805 O ASP A 53 5.097 8.635 9.185 1.00 0.00 O ATOM 806 CB ASP A 53 5.980 11.338 8.222 1.00 0.00 C ATOM 807 CG ASP A 53 5.812 12.775 7.836 1.00 0.00 C ATOM 808 OD1 ASP A 53 5.068 13.509 8.525 1.00 0.00 O ATOM 809 OD2 ASP A 53 6.450 13.225 6.865 1.00 0.00 O ATOM 0 H ASP A 53 3.544 11.520 8.742 1.00 0.00 H new ATOM 0 HA ASP A 53 4.949 10.520 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.946 11.256 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.967 10.999 7.908 1.00 0.00 H new ATOM 814 N ARG A 54 5.643 8.224 7.033 1.00 0.00 N ATOM 815 CA ARG A 54 5.999 6.814 7.190 1.00 0.00 C ATOM 816 C ARG A 54 4.831 5.966 7.687 1.00 0.00 C ATOM 817 O ARG A 54 5.054 4.923 8.296 1.00 0.00 O ATOM 818 CB ARG A 54 7.189 6.604 8.146 1.00 0.00 C ATOM 819 CG ARG A 54 8.511 7.149 7.719 1.00 0.00 C ATOM 820 CD ARG A 54 9.563 6.670 8.698 1.00 0.00 C ATOM 821 NE ARG A 54 10.875 7.202 8.408 1.00 0.00 N ATOM 822 CZ ARG A 54 12.029 6.516 8.512 1.00 0.00 C ATOM 823 NH1 ARG A 54 12.020 5.238 8.883 1.00 0.00 N ATOM 824 NH2 ARG A 54 13.185 7.111 8.257 1.00 0.00 N ATOM 0 H ARG A 54 5.739 8.556 6.073 1.00 0.00 H new ATOM 0 HA ARG A 54 6.281 6.489 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.934 7.051 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.303 5.533 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.751 6.814 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.483 8.238 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.273 6.959 9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.604 5.581 8.678 1.00 0.00 H new ATOM 0 HE ARG A 54 10.931 8.173 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.136 4.773 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.897 4.723 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.203 8.093 7.981 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.057 6.587 8.337 1.00 0.00 H new ATOM 838 N CYS A 55 3.610 6.370 7.425 1.00 0.00 N ATOM 839 CA CYS A 55 2.470 5.600 7.909 1.00 0.00 C ATOM 840 C CYS A 55 2.311 4.278 7.144 1.00 0.00 C ATOM 841 O CYS A 55 1.823 3.275 7.692 1.00 0.00 O ATOM 842 CB CYS A 55 1.190 6.417 7.840 1.00 0.00 C ATOM 843 SG CYS A 55 0.708 6.899 6.157 1.00 0.00 S ATOM 0 H CYS A 55 3.375 7.207 6.892 1.00 0.00 H new ATOM 0 HA CYS A 55 2.665 5.356 8.953 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.380 5.842 8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.313 7.317 8.443 1.00 0.00 H new ATOM 848 N ASN A 56 2.745 4.252 5.899 1.00 0.00 N ATOM 849 CA ASN A 56 2.623 3.055 5.097 1.00 0.00 C ATOM 850 C ASN A 56 3.866 2.174 5.231 1.00 0.00 C ATOM 851 O ASN A 56 4.697 2.068 4.345 1.00 0.00 O ATOM 852 CB ASN A 56 2.241 3.358 3.621 1.00 0.00 C ATOM 853 CG ASN A 56 3.317 4.070 2.813 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.176 4.778 3.359 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.251 3.929 1.512 1.00 0.00 N ATOM 0 H ASN A 56 3.182 5.042 5.425 1.00 0.00 H new ATOM 0 HA ASN A 56 1.785 2.480 5.492 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.996 2.419 3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.338 3.968 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.921 4.411 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.530 3.338 1.099 1.00 0.00 H new ATOM 862 N LYS A 57 4.011 1.614 6.387 1.00 0.00 N ATOM 863 CA LYS A 57 5.106 0.746 6.691 1.00 0.00 C ATOM 864 C LYS A 57 4.550 -0.572 7.107 1.00 0.00 C ATOM 865 O LYS A 57 5.024 -1.614 6.626 1.00 0.00 O ATOM 866 CB LYS A 57 6.027 1.337 7.771 1.00 0.00 C ATOM 867 CG LYS A 57 5.359 1.631 9.110 1.00 0.00 C ATOM 868 CD LYS A 57 6.322 2.294 10.086 1.00 0.00 C ATOM 869 CE LYS A 57 7.532 1.421 10.396 1.00 0.00 C ATOM 870 NZ LYS A 57 8.444 2.067 11.360 1.00 0.00 N ATOM 871 OXT LYS A 57 3.529 -0.573 7.832 1.00 0.00 O ATOM 0 H LYS A 57 3.361 1.748 7.162 1.00 0.00 H new ATOM 0 HA LYS A 57 5.728 0.623 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.852 0.645 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.460 2.262 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.497 2.279 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.985 0.703 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.660 3.243 9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.795 2.522 11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.197 0.465 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.071 1.207 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.254 1.441 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.785 2.967 10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.937 2.248 12.250 1.00 0.00 H new TER 885 LYS A 57