USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 9 LYS NZ :NH3+ 139:sc= -0.159 (180deg=-0.607) USER MOD Single : A 12 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 19 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.99) USER MOD Single : A 22 LYS NZ :NH3+ -113:sc= -0.254 (180deg=-1.72!) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.487 (180deg=-0.522) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.987 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 39 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 143:sc= 1.08 USER MOD Single : A 56 GLN :FLIP amide:sc= -2.84! C(o=-5.9!,f=-2.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0781 (180deg=-0.403) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.15! C(o=-2.8!,f=-1.1!) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.0358 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.270 -0.286 0.069 1.00 0.00 N ATOM 2 CA LEU A 1 2.188 -0.367 -1.061 1.00 0.00 C ATOM 3 C LEU A 1 1.619 -1.257 -2.162 1.00 0.00 C ATOM 4 O LEU A 1 0.937 -2.244 -1.888 1.00 0.00 O ATOM 5 CB LEU A 1 3.544 -0.907 -0.604 1.00 0.00 C ATOM 6 CG LEU A 1 4.759 -0.039 -0.935 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.006 -0.018 -2.436 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.566 1.374 -0.405 1.00 0.00 C ATOM 0 H1 LEU A 1 1.679 0.325 0.805 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.363 0.113 -0.248 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.112 -1.238 0.457 1.00 0.00 H new ATOM 0 HA LEU A 1 2.320 0.638 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.510 -1.052 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.691 -1.889 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 1 5.634 -0.471 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.874 0.604 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.190 -1.033 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.131 0.390 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.440 1.977 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.681 1.816 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.438 1.342 0.677 1.00 0.00 H new ATOM 20 N THR A 2 1.906 -0.901 -3.411 1.00 0.00 N ATOM 21 CA THR A 2 1.425 -1.667 -4.553 1.00 0.00 C ATOM 22 C THR A 2 2.539 -2.513 -5.157 1.00 0.00 C ATOM 23 O THR A 2 3.636 -2.018 -5.420 1.00 0.00 O ATOM 24 CB THR A 2 0.847 -0.745 -5.644 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.196 0.068 -5.096 1.00 0.00 O ATOM 26 CG2 THR A 2 0.303 -1.559 -6.808 1.00 0.00 C ATOM 0 H THR A 2 2.469 -0.087 -3.656 1.00 0.00 H new ATOM 0 HA THR A 2 0.635 -2.322 -4.184 1.00 0.00 H new ATOM 0 HB THR A 2 1.650 -0.106 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.557 0.652 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.100 -0.887 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.106 -2.155 -7.242 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.488 -2.220 -6.452 1.00 0.00 H new ATOM 34 N CYS A 3 2.252 -3.792 -5.377 1.00 0.00 N ATOM 35 CA CYS A 3 3.231 -4.708 -5.951 1.00 0.00 C ATOM 36 C CYS A 3 2.551 -5.732 -6.855 1.00 0.00 C ATOM 37 O CYS A 3 1.385 -6.076 -6.657 1.00 0.00 O ATOM 38 CB CYS A 3 4.002 -5.424 -4.840 1.00 0.00 C ATOM 39 SG CYS A 3 4.827 -4.303 -3.666 1.00 0.00 S ATOM 0 H CYS A 3 1.349 -4.218 -5.166 1.00 0.00 H new ATOM 0 HA CYS A 3 3.930 -4.126 -6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.314 -6.066 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.751 -6.074 -5.293 1.00 0.00 H new ATOM 44 N LEU A 4 3.288 -6.216 -7.849 1.00 0.00 N ATOM 45 CA LEU A 4 2.758 -7.201 -8.785 1.00 0.00 C ATOM 46 C LEU A 4 3.103 -8.618 -8.338 1.00 0.00 C ATOM 47 O LEU A 4 4.257 -9.040 -8.417 1.00 0.00 O ATOM 48 CB LEU A 4 3.310 -6.949 -10.189 1.00 0.00 C ATOM 49 CG LEU A 4 2.756 -5.724 -10.918 1.00 0.00 C ATOM 50 CD1 LEU A 4 3.277 -4.444 -10.284 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.116 -5.775 -12.396 1.00 0.00 C ATOM 0 H LEU A 4 4.254 -5.942 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 4 1.673 -7.100 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.393 -6.846 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.112 -7.830 -10.799 1.00 0.00 H new ATOM 0 HG LEU A 4 1.670 -5.732 -10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.872 -3.583 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.968 -4.403 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.365 -4.427 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.714 -4.896 -12.899 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.200 -5.792 -12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.692 -6.674 -12.843 1.00 0.00 H new ATOM 63 N ILE A 5 2.096 -9.347 -7.870 1.00 0.00 N ATOM 64 CA ILE A 5 2.293 -10.718 -7.414 1.00 0.00 C ATOM 65 C ILE A 5 1.759 -11.719 -8.433 1.00 0.00 C ATOM 66 O ILE A 5 0.816 -11.428 -9.169 1.00 0.00 O ATOM 67 CB ILE A 5 1.604 -10.964 -6.059 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.209 -11.557 -6.272 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.519 -9.670 -5.264 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.765 -10.595 -6.914 1.00 0.00 C ATOM 0 H ILE A 5 1.135 -9.012 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 5 3.367 -10.861 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 5 2.200 -11.678 -5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.293 -12.447 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.191 -11.878 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.029 -9.861 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.523 -9.285 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.943 -8.935 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.732 -11.083 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.878 -9.715 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.387 -10.293 -7.891 1.00 0.00 H new ATOM 82 N CYS A 6 2.368 -12.899 -8.469 1.00 0.00 N ATOM 83 CA CYS A 6 1.954 -13.945 -9.397 1.00 0.00 C ATOM 84 C CYS A 6 2.898 -15.142 -9.323 1.00 0.00 C ATOM 85 O CYS A 6 4.038 -15.094 -9.786 1.00 0.00 O ATOM 86 CB CYS A 6 1.913 -13.401 -10.826 1.00 0.00 C ATOM 87 SG CYS A 6 1.713 -14.684 -12.104 1.00 0.00 S ATOM 0 H CYS A 6 3.150 -13.155 -7.866 1.00 0.00 H new ATOM 0 HA CYS A 6 0.955 -14.274 -9.112 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.092 -12.689 -10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.833 -12.850 -11.020 1.00 0.00 H new ATOM 92 N PRO A 7 2.414 -16.242 -8.728 1.00 0.00 N ATOM 93 CA PRO A 7 3.197 -17.472 -8.580 1.00 0.00 C ATOM 94 C PRO A 7 3.428 -18.176 -9.913 1.00 0.00 C ATOM 95 O PRO A 7 2.727 -19.130 -10.251 1.00 0.00 O ATOM 96 CB PRO A 7 2.330 -18.337 -7.662 1.00 0.00 C ATOM 97 CG PRO A 7 0.941 -17.842 -7.877 1.00 0.00 C ATOM 98 CD PRO A 7 1.064 -16.369 -8.154 1.00 0.00 C ATOM 0 HA PRO A 7 4.194 -17.275 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.417 -19.394 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.631 -18.233 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.468 -18.358 -8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.322 -18.023 -6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.298 -16.025 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.957 -15.779 -7.244 1.00 0.00 H new ATOM 106 N GLU A 8 4.414 -17.699 -10.666 1.00 0.00 N ATOM 107 CA GLU A 8 4.736 -18.284 -11.963 1.00 0.00 C ATOM 108 C GLU A 8 6.110 -17.825 -12.442 1.00 0.00 C ATOM 109 O GLU A 8 6.789 -17.052 -11.765 1.00 0.00 O ATOM 110 CB GLU A 8 3.671 -17.907 -12.995 1.00 0.00 C ATOM 111 CG GLU A 8 2.579 -18.952 -13.153 1.00 0.00 C ATOM 112 CD GLU A 8 1.931 -18.917 -14.523 1.00 0.00 C ATOM 113 OE1 GLU A 8 0.957 -18.156 -14.700 1.00 0.00 O ATOM 114 OE2 GLU A 8 2.400 -19.650 -15.419 1.00 0.00 O ATOM 0 H GLU A 8 5.003 -16.910 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 8 4.755 -19.368 -11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.216 -16.960 -12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.152 -17.748 -13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.001 -19.942 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.816 -18.793 -12.391 1.00 0.00 H new ATOM 121 N LYS A 9 6.513 -18.305 -13.613 1.00 0.00 N ATOM 122 CA LYS A 9 7.805 -17.945 -14.184 1.00 0.00 C ATOM 123 C LYS A 9 7.686 -16.698 -15.055 1.00 0.00 C ATOM 124 O LYS A 9 8.567 -15.838 -15.048 1.00 0.00 O ATOM 125 CB LYS A 9 8.361 -19.106 -15.012 1.00 0.00 C ATOM 126 CG LYS A 9 7.484 -19.488 -16.191 1.00 0.00 C ATOM 127 CD LYS A 9 7.904 -20.819 -16.791 1.00 0.00 C ATOM 128 CE LYS A 9 7.598 -21.975 -15.850 1.00 0.00 C ATOM 129 NZ LYS A 9 6.157 -22.019 -15.476 1.00 0.00 N ATOM 0 H LYS A 9 5.963 -18.945 -14.186 1.00 0.00 H new ATOM 0 HA LYS A 9 8.490 -17.731 -13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.352 -18.838 -15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.485 -19.975 -14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.444 -19.545 -15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.539 -18.711 -16.953 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.386 -20.972 -17.738 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.971 -20.800 -17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.879 -22.915 -16.326 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.204 -21.880 -14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.828 -23.006 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.032 -21.612 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.603 -21.470 -16.164 1.00 0.00 H new ATOM 143 N ASP A 10 6.591 -16.605 -15.801 1.00 0.00 N ATOM 144 CA ASP A 10 6.355 -15.462 -16.675 1.00 0.00 C ATOM 145 C ASP A 10 4.945 -14.912 -16.483 1.00 0.00 C ATOM 146 O ASP A 10 4.039 -15.215 -17.259 1.00 0.00 O ATOM 147 CB ASP A 10 6.567 -15.857 -18.137 1.00 0.00 C ATOM 148 CG ASP A 10 7.921 -15.424 -18.664 1.00 0.00 C ATOM 149 OD1 ASP A 10 8.260 -14.230 -18.518 1.00 0.00 O ATOM 150 OD2 ASP A 10 8.642 -16.277 -19.221 1.00 0.00 O ATOM 0 H ASP A 10 5.852 -17.308 -15.818 1.00 0.00 H new ATOM 0 HA ASP A 10 7.069 -14.682 -16.411 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.471 -16.938 -18.236 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.783 -15.410 -18.748 1.00 0.00 H new ATOM 155 N CYS A 11 4.767 -14.105 -15.443 1.00 0.00 N ATOM 156 CA CYS A 11 3.467 -13.514 -15.147 1.00 0.00 C ATOM 157 C CYS A 11 3.543 -12.625 -13.909 1.00 0.00 C ATOM 158 O CYS A 11 4.199 -12.968 -12.926 1.00 0.00 O ATOM 159 CB CYS A 11 2.421 -14.610 -14.937 1.00 0.00 C ATOM 160 SG CYS A 11 1.039 -14.122 -13.855 1.00 0.00 S ATOM 0 H CYS A 11 5.507 -13.845 -14.791 1.00 0.00 H new ATOM 0 HA CYS A 11 3.173 -12.899 -15.998 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.022 -14.907 -15.907 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.909 -15.487 -14.512 1.00 0.00 H new ATOM 165 N GLN A 12 2.867 -11.482 -13.966 1.00 0.00 N ATOM 166 CA GLN A 12 2.858 -10.543 -12.850 1.00 0.00 C ATOM 167 C GLN A 12 1.572 -9.724 -12.838 1.00 0.00 C ATOM 168 O GLN A 12 1.281 -8.991 -13.784 1.00 0.00 O ATOM 169 CB GLN A 12 4.070 -9.613 -12.929 1.00 0.00 C ATOM 170 CG GLN A 12 4.131 -8.802 -14.213 1.00 0.00 C ATOM 171 CD GLN A 12 5.541 -8.373 -14.566 1.00 0.00 C ATOM 172 OE1 GLN A 12 6.514 -9.024 -14.185 1.00 0.00 O ATOM 173 NE2 GLN A 12 5.660 -7.272 -15.299 1.00 0.00 N ATOM 0 H GLN A 12 2.319 -11.184 -14.773 1.00 0.00 H new ATOM 0 HA GLN A 12 2.909 -11.117 -11.925 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.050 -8.931 -12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.980 -10.207 -12.840 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.720 -9.393 -15.031 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.501 -7.918 -14.110 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.827 -6.763 -15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.585 -6.936 -15.568 1.00 0.00 H new ATOM 182 N LYS A 13 0.805 -9.852 -11.761 1.00 0.00 N ATOM 183 CA LYS A 13 -0.450 -9.123 -11.624 1.00 0.00 C ATOM 184 C LYS A 13 -0.377 -8.125 -10.473 1.00 0.00 C ATOM 185 O LYS A 13 -0.040 -8.487 -9.345 1.00 0.00 O ATOM 186 CB LYS A 13 -1.608 -10.098 -11.395 1.00 0.00 C ATOM 187 CG LYS A 13 -2.242 -10.602 -12.680 1.00 0.00 C ATOM 188 CD LYS A 13 -3.139 -11.801 -12.426 1.00 0.00 C ATOM 189 CE LYS A 13 -3.432 -12.560 -13.711 1.00 0.00 C ATOM 190 NZ LYS A 13 -4.472 -11.881 -14.532 1.00 0.00 N ATOM 0 H LYS A 13 1.031 -10.454 -10.970 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.624 -8.572 -12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.246 -10.950 -10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.371 -9.607 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.824 -9.802 -13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.461 -10.875 -13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.661 -12.469 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.075 -11.468 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.515 -12.656 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.763 -13.570 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.643 -12.430 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.355 -11.812 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.146 -10.926 -14.785 1.00 0.00 H new ATOM 204 N VAL A 14 -0.696 -6.868 -10.764 1.00 0.00 N ATOM 205 CA VAL A 14 -0.668 -5.818 -9.752 1.00 0.00 C ATOM 206 C VAL A 14 -1.582 -6.160 -8.581 1.00 0.00 C ATOM 207 O VAL A 14 -2.615 -6.808 -8.754 1.00 0.00 O ATOM 208 CB VAL A 14 -1.093 -4.460 -10.341 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.219 -4.098 -11.533 1.00 0.00 C ATOM 210 CG2 VAL A 14 -2.562 -4.486 -10.736 1.00 0.00 C ATOM 0 H VAL A 14 -0.977 -6.552 -11.692 1.00 0.00 H new ATOM 0 HA VAL A 14 0.360 -5.746 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.960 -3.695 -9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.534 -3.136 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.822 -4.035 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.318 -4.864 -12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.845 -3.518 -11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.724 -5.262 -11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.171 -4.696 -9.857 1.00 0.00 H new ATOM 220 N HIS A 15 -1.196 -5.718 -7.388 1.00 0.00 N ATOM 221 CA HIS A 15 -1.982 -5.976 -6.187 1.00 0.00 C ATOM 222 C HIS A 15 -1.459 -5.159 -5.009 1.00 0.00 C ATOM 223 O HIS A 15 -0.276 -5.222 -4.672 1.00 0.00 O ATOM 224 CB HIS A 15 -1.952 -7.466 -5.842 1.00 0.00 C ATOM 225 CG HIS A 15 -2.518 -7.779 -4.491 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.741 -8.184 -3.426 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.791 -7.745 -4.035 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.513 -8.386 -2.373 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.762 -8.126 -2.716 1.00 0.00 N ATOM 0 H HIS A 15 -0.344 -5.180 -7.228 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.011 -5.677 -6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.512 -8.017 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.922 -7.820 -5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.667 -7.469 -4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.180 -8.709 -1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.573 -8.197 -2.101 1.00 0.00 H new ATOM 237 N THR A 16 -2.348 -4.391 -4.387 1.00 0.00 N ATOM 238 CA THR A 16 -1.976 -3.559 -3.249 1.00 0.00 C ATOM 239 C THR A 16 -2.008 -4.358 -1.951 1.00 0.00 C ATOM 240 O THR A 16 -3.050 -4.884 -1.560 1.00 0.00 O ATOM 241 CB THR A 16 -2.910 -2.342 -3.113 1.00 0.00 C ATOM 242 OG1 THR A 16 -3.609 -2.121 -4.344 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.123 -1.095 -2.740 1.00 0.00 C ATOM 0 H THR A 16 -3.331 -4.328 -4.652 1.00 0.00 H new ATOM 0 HA THR A 16 -0.960 -3.209 -3.432 1.00 0.00 H new ATOM 0 HB THR A 16 -3.628 -2.550 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.202 -1.347 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.804 -0.249 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.616 -1.256 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.385 -0.886 -3.514 1.00 0.00 H new ATOM 251 N CYS A 17 -0.861 -4.444 -1.286 1.00 0.00 N ATOM 252 CA CYS A 17 -0.758 -5.178 -0.031 1.00 0.00 C ATOM 253 C CYS A 17 -0.818 -4.228 1.162 1.00 0.00 C ATOM 254 O CYS A 17 0.144 -4.104 1.920 1.00 0.00 O ATOM 255 CB CYS A 17 0.544 -5.981 0.009 1.00 0.00 C ATOM 256 SG CYS A 17 0.673 -7.120 1.425 1.00 0.00 S ATOM 0 H CYS A 17 0.011 -4.014 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.603 -5.864 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.633 -6.554 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.385 -5.288 0.036 1.00 0.00 H new ATOM 261 N ARG A 18 -1.955 -3.559 1.322 1.00 0.00 N ATOM 262 CA ARG A 18 -2.142 -2.620 2.421 1.00 0.00 C ATOM 263 C ARG A 18 -2.149 -3.347 3.762 1.00 0.00 C ATOM 264 O ARG A 18 -3.067 -4.109 4.061 1.00 0.00 O ATOM 265 CB ARG A 18 -3.448 -1.844 2.242 1.00 0.00 C ATOM 266 CG ARG A 18 -4.671 -2.736 2.103 1.00 0.00 C ATOM 267 CD ARG A 18 -5.738 -2.087 1.235 1.00 0.00 C ATOM 268 NE ARG A 18 -6.575 -1.163 1.995 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.559 -0.451 1.457 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.829 -0.558 0.163 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.277 0.369 2.214 1.00 0.00 N ATOM 0 H ARG A 18 -2.761 -3.650 0.704 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.308 -1.919 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.587 -1.181 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.367 -1.212 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.378 -3.692 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.082 -2.948 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.261 -1.552 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.364 -2.861 0.791 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.394 -1.059 2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.280 -1.188 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.585 -0.010 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.074 0.453 3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.032 0.915 1.800 1.00 0.00 H new ATOM 285 N ASN A 19 -1.119 -3.105 4.566 1.00 0.00 N ATOM 286 CA ASN A 19 -1.006 -3.738 5.876 1.00 0.00 C ATOM 287 C ASN A 19 0.115 -3.103 6.692 1.00 0.00 C ATOM 288 O ASN A 19 0.775 -2.169 6.237 1.00 0.00 O ATOM 289 CB ASN A 19 -0.752 -5.239 5.720 1.00 0.00 C ATOM 290 CG ASN A 19 -2.030 -6.052 5.788 1.00 0.00 C ATOM 291 OD1 ASN A 19 -2.693 -6.101 6.825 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.381 -6.696 4.682 1.00 0.00 N ATOM 0 H ASN A 19 -0.351 -2.476 4.334 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.946 -3.589 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.257 -5.424 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.070 -5.573 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.231 -7.260 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.801 -6.627 3.846 1.00 0.00 H new ATOM 299 N GLU A 20 0.324 -3.616 7.901 1.00 0.00 N ATOM 300 CA GLU A 20 1.365 -3.098 8.780 1.00 0.00 C ATOM 301 C GLU A 20 2.726 -3.134 8.092 1.00 0.00 C ATOM 302 O GLU A 20 3.625 -2.364 8.431 1.00 0.00 O ATOM 303 CB GLU A 20 1.416 -3.907 10.078 1.00 0.00 C ATOM 304 CG GLU A 20 1.790 -5.365 9.872 1.00 0.00 C ATOM 305 CD GLU A 20 1.502 -6.219 11.091 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.316 -6.523 11.337 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.464 -6.584 11.800 1.00 0.00 O ATOM 0 H GLU A 20 -0.214 -4.389 8.293 1.00 0.00 H new ATOM 0 HA GLU A 20 1.124 -2.061 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.137 -3.448 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.443 -3.856 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.240 -5.760 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.850 -5.433 9.627 1.00 0.00 H new ATOM 314 N GLU A 21 2.870 -4.033 7.124 1.00 0.00 N ATOM 315 CA GLU A 21 4.122 -4.170 6.389 1.00 0.00 C ATOM 316 C GLU A 21 4.431 -2.901 5.600 1.00 0.00 C ATOM 317 O GLU A 21 3.753 -1.884 5.746 1.00 0.00 O ATOM 318 CB GLU A 21 4.054 -5.369 5.441 1.00 0.00 C ATOM 319 CG GLU A 21 3.465 -6.616 6.078 1.00 0.00 C ATOM 320 CD GLU A 21 4.018 -6.879 7.465 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.198 -6.550 7.706 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.270 -7.414 8.310 1.00 0.00 O ATOM 0 H GLU A 21 2.136 -4.677 6.830 1.00 0.00 H new ATOM 0 HA GLU A 21 4.922 -4.332 7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.457 -5.099 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.058 -5.595 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.382 -6.512 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.669 -7.476 5.440 1.00 0.00 H new ATOM 329 N LYS A 22 5.461 -2.968 4.763 1.00 0.00 N ATOM 330 CA LYS A 22 5.862 -1.826 3.949 1.00 0.00 C ATOM 331 C LYS A 22 6.507 -2.286 2.646 1.00 0.00 C ATOM 332 O LYS A 22 6.186 -1.780 1.571 1.00 0.00 O ATOM 333 CB LYS A 22 6.835 -0.936 4.726 1.00 0.00 C ATOM 334 CG LYS A 22 6.156 -0.038 5.746 1.00 0.00 C ATOM 335 CD LYS A 22 7.163 0.822 6.490 1.00 0.00 C ATOM 336 CE LYS A 22 7.662 1.969 5.625 1.00 0.00 C ATOM 337 NZ LYS A 22 8.876 1.592 4.849 1.00 0.00 N ATOM 0 H LYS A 22 6.034 -3.802 4.630 1.00 0.00 H new ATOM 0 HA LYS A 22 4.967 -1.252 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.562 -1.567 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.390 -0.317 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.431 0.602 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.602 -0.649 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.705 1.220 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.007 0.207 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.873 2.276 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.887 2.829 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.691 2.139 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.064 0.576 4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.721 1.797 3.841 1.00 0.00 H new ATOM 351 N ILE A 23 7.417 -3.250 2.750 1.00 0.00 N ATOM 352 CA ILE A 23 8.105 -3.779 1.579 1.00 0.00 C ATOM 353 C ILE A 23 7.506 -5.113 1.146 1.00 0.00 C ATOM 354 O ILE A 23 6.900 -5.824 1.949 1.00 0.00 O ATOM 355 CB ILE A 23 9.609 -3.968 1.847 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.839 -5.169 2.767 1.00 0.00 C ATOM 357 CG2 ILE A 23 10.201 -2.706 2.458 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.454 -6.359 2.064 1.00 0.00 C ATOM 0 H ILE A 23 7.694 -3.680 3.633 1.00 0.00 H new ATOM 0 HA ILE A 23 7.976 -3.048 0.780 1.00 0.00 H new ATOM 0 HB ILE A 23 10.110 -4.159 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.488 -4.868 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.887 -5.468 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.265 -2.855 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.065 -1.871 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.697 -2.487 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.589 -7.173 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.796 -6.686 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.422 -6.076 1.649 1.00 0.00 H new ATOM 370 N CYS A 24 7.681 -5.449 -0.127 1.00 0.00 N ATOM 371 CA CYS A 24 7.159 -6.698 -0.668 1.00 0.00 C ATOM 372 C CYS A 24 8.276 -7.526 -1.299 1.00 0.00 C ATOM 373 O CYS A 24 8.984 -7.056 -2.189 1.00 0.00 O ATOM 374 CB CYS A 24 6.071 -6.415 -1.705 1.00 0.00 C ATOM 375 SG CYS A 24 6.592 -5.291 -3.041 1.00 0.00 S ATOM 0 H CYS A 24 8.181 -4.873 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 24 6.727 -7.268 0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.748 -7.359 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.206 -5.986 -1.200 1.00 0.00 H new ATOM 380 N VAL A 25 8.426 -8.761 -0.832 1.00 0.00 N ATOM 381 CA VAL A 25 9.454 -9.655 -1.350 1.00 0.00 C ATOM 382 C VAL A 25 8.869 -11.017 -1.708 1.00 0.00 C ATOM 383 O VAL A 25 7.975 -11.519 -1.027 1.00 0.00 O ATOM 384 CB VAL A 25 10.594 -9.849 -0.333 1.00 0.00 C ATOM 385 CG1 VAL A 25 10.038 -10.273 1.018 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.600 -10.868 -0.848 1.00 0.00 C ATOM 0 H VAL A 25 7.848 -9.165 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 25 9.855 -9.188 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 25 11.109 -8.897 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.858 -10.405 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.360 -9.505 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.497 -11.213 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.399 -10.993 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.101 -11.824 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.022 -10.518 -1.790 1.00 0.00 H new ATOM 396 N LYS A 26 9.381 -11.611 -2.780 1.00 0.00 N ATOM 397 CA LYS A 26 8.912 -12.916 -3.229 1.00 0.00 C ATOM 398 C LYS A 26 10.082 -13.872 -3.440 1.00 0.00 C ATOM 399 O LYS A 26 11.120 -13.488 -3.979 1.00 0.00 O ATOM 400 CB LYS A 26 8.114 -12.776 -4.528 1.00 0.00 C ATOM 401 CG LYS A 26 7.569 -14.093 -5.052 1.00 0.00 C ATOM 402 CD LYS A 26 7.665 -14.173 -6.567 1.00 0.00 C ATOM 403 CE LYS A 26 6.517 -14.976 -7.157 1.00 0.00 C ATOM 404 NZ LYS A 26 6.741 -15.290 -8.595 1.00 0.00 N ATOM 0 H LYS A 26 10.122 -11.209 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 26 8.264 -13.327 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.284 -12.089 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.752 -12.328 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.123 -14.920 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.529 -14.205 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.660 -13.167 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.613 -14.631 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.397 -15.904 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.588 -14.416 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.856 -15.639 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.047 -14.431 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.476 -16.020 -8.680 1.00 0.00 H new ATOM 418 N ARG A 27 9.906 -15.119 -3.013 1.00 0.00 N ATOM 419 CA ARG A 27 10.947 -16.129 -3.155 1.00 0.00 C ATOM 420 C ARG A 27 10.421 -17.351 -3.901 1.00 0.00 C ATOM 421 O ARG A 27 9.302 -17.804 -3.661 1.00 0.00 O ATOM 422 CB ARG A 27 11.474 -16.545 -1.780 1.00 0.00 C ATOM 423 CG ARG A 27 11.679 -15.379 -0.827 1.00 0.00 C ATOM 424 CD ARG A 27 12.368 -15.821 0.454 1.00 0.00 C ATOM 425 NE ARG A 27 11.420 -16.343 1.434 1.00 0.00 N ATOM 426 CZ ARG A 27 11.777 -16.816 2.623 1.00 0.00 C ATOM 427 NH1 ARG A 27 13.055 -16.832 2.977 1.00 0.00 N ATOM 428 NH2 ARG A 27 10.856 -17.274 3.461 1.00 0.00 N ATOM 0 H ARG A 27 9.052 -15.453 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 27 11.763 -15.695 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.776 -17.251 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.421 -17.070 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.276 -14.609 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.715 -14.930 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.108 -16.587 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.907 -14.977 0.885 1.00 0.00 H new ATOM 0 HE ARG A 27 10.429 -16.345 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.766 -16.481 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.327 -17.196 3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.872 -17.263 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.132 -17.637 4.373 1.00 0.00 H new ATOM 442 N PHE A 28 11.235 -17.880 -4.809 1.00 0.00 N ATOM 443 CA PHE A 28 10.852 -19.048 -5.592 1.00 0.00 C ATOM 444 C PHE A 28 12.043 -19.979 -5.799 1.00 0.00 C ATOM 445 O PHE A 28 13.196 -19.562 -5.696 1.00 0.00 O ATOM 446 CB PHE A 28 10.285 -18.617 -6.947 1.00 0.00 C ATOM 447 CG PHE A 28 11.286 -17.913 -7.818 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.139 -18.633 -8.638 1.00 0.00 C ATOM 449 CD2 PHE A 28 11.373 -16.530 -7.816 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.060 -17.987 -9.440 1.00 0.00 C ATOM 451 CE2 PHE A 28 12.293 -15.878 -8.616 1.00 0.00 C ATOM 452 CZ PHE A 28 13.137 -16.608 -9.430 1.00 0.00 C ATOM 0 H PHE A 28 12.165 -17.517 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 28 10.083 -19.588 -5.040 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.913 -19.496 -7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.432 -17.959 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.084 -19.712 -8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.714 -15.955 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.720 -18.560 -10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.352 -14.800 -8.604 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.856 -16.102 -10.057 1.00 0.00 H new ATOM 462 N TYR A 29 11.754 -21.243 -6.090 1.00 0.00 N ATOM 463 CA TYR A 29 12.800 -22.235 -6.308 1.00 0.00 C ATOM 464 C TYR A 29 12.575 -22.986 -7.617 1.00 0.00 C ATOM 465 O TYR A 29 11.439 -23.292 -7.982 1.00 0.00 O ATOM 466 CB TYR A 29 12.847 -23.223 -5.142 1.00 0.00 C ATOM 467 CG TYR A 29 14.228 -23.773 -4.869 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.760 -24.790 -5.652 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.002 -23.275 -3.828 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.022 -25.296 -5.405 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.265 -23.774 -3.575 1.00 0.00 C ATOM 472 CZ TYR A 29 16.770 -24.784 -4.365 1.00 0.00 C ATOM 473 OH TYR A 29 18.028 -25.285 -4.117 1.00 0.00 O ATOM 0 H TYR A 29 10.804 -21.604 -6.180 1.00 0.00 H new ATOM 0 HA TYR A 29 13.754 -21.711 -6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.478 -22.729 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.170 -24.051 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.177 -25.192 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.609 -22.484 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.420 -26.088 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.854 -23.375 -2.762 1.00 0.00 H new ATOM 0 HH TYR A 29 18.329 -25.809 -4.888 1.00 0.00 H new ATOM 483 N ASP A 30 13.664 -23.279 -8.318 1.00 0.00 N ATOM 484 CA ASP A 30 13.587 -23.996 -9.586 1.00 0.00 C ATOM 485 C ASP A 30 14.551 -25.178 -9.601 1.00 0.00 C ATOM 486 O ASP A 30 15.756 -25.014 -9.409 1.00 0.00 O ATOM 487 CB ASP A 30 13.899 -23.053 -10.749 1.00 0.00 C ATOM 488 CG ASP A 30 15.307 -22.494 -10.680 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.545 -21.587 -9.855 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.170 -22.964 -11.450 1.00 0.00 O ATOM 0 H ASP A 30 14.611 -23.031 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 30 12.572 -24.377 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.769 -23.587 -11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.184 -22.230 -10.748 1.00 0.00 H new ATOM 495 N LYS A 31 14.012 -26.371 -9.830 1.00 0.00 N ATOM 496 CA LYS A 31 14.823 -27.582 -9.871 1.00 0.00 C ATOM 497 C LYS A 31 15.323 -27.855 -11.286 1.00 0.00 C ATOM 498 O LYS A 31 14.864 -27.238 -12.246 1.00 0.00 O ATOM 499 CB LYS A 31 14.014 -28.779 -9.365 1.00 0.00 C ATOM 500 CG LYS A 31 13.616 -28.670 -7.903 1.00 0.00 C ATOM 501 CD LYS A 31 13.240 -30.024 -7.325 1.00 0.00 C ATOM 502 CE LYS A 31 14.469 -30.885 -7.078 1.00 0.00 C ATOM 503 NZ LYS A 31 15.135 -30.546 -5.790 1.00 0.00 N ATOM 0 H LYS A 31 13.016 -26.525 -9.990 1.00 0.00 H new ATOM 0 HA LYS A 31 15.686 -27.433 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.114 -28.881 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.599 -29.688 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.441 -28.246 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.774 -27.985 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.699 -29.884 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.566 -30.538 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.181 -31.936 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.175 -30.753 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.968 -31.155 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.433 -29.550 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.470 -30.696 -5.005 1.00 0.00 H new ATOM 517 N ASN A 32 16.266 -28.784 -11.406 1.00 0.00 N ATOM 518 CA ASN A 32 16.827 -29.139 -12.705 1.00 0.00 C ATOM 519 C ASN A 32 15.874 -30.041 -13.482 1.00 0.00 C ATOM 520 O ASN A 32 15.221 -29.601 -14.428 1.00 0.00 O ATOM 521 CB ASN A 32 18.177 -29.837 -12.526 1.00 0.00 C ATOM 522 CG ASN A 32 19.317 -28.855 -12.342 1.00 0.00 C ATOM 523 OD1 ASN A 32 19.096 -27.659 -12.152 1.00 0.00 O ATOM 524 ND2 ASN A 32 20.545 -29.357 -12.398 1.00 0.00 N ATOM 0 H ASN A 32 16.657 -29.304 -10.621 1.00 0.00 H new ATOM 0 HA ASN A 32 16.972 -28.221 -13.274 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.129 -30.499 -11.661 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.377 -30.463 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.352 -28.744 -12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 32 20.681 -30.355 -12.558 1.00 0.00 H new ATOM 531 N GLN A 33 15.799 -31.304 -13.075 1.00 0.00 N ATOM 532 CA GLN A 33 14.925 -32.268 -13.733 1.00 0.00 C ATOM 533 C GLN A 33 13.503 -31.729 -13.839 1.00 0.00 C ATOM 534 O GLN A 33 12.905 -31.731 -14.916 1.00 0.00 O ATOM 535 CB GLN A 33 14.926 -33.593 -12.970 1.00 0.00 C ATOM 536 CG GLN A 33 16.293 -34.254 -12.900 1.00 0.00 C ATOM 537 CD GLN A 33 16.811 -34.670 -14.262 1.00 0.00 C ATOM 538 OE1 GLN A 33 17.610 -33.963 -14.878 1.00 0.00 O ATOM 539 NE2 GLN A 33 16.358 -35.822 -14.742 1.00 0.00 N ATOM 0 H GLN A 33 16.333 -31.683 -12.293 1.00 0.00 H new ATOM 0 HA GLN A 33 15.306 -32.437 -14.740 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.563 -33.419 -11.957 1.00 0.00 H new ATOM 0 HB3 GLN A 33 14.225 -34.278 -13.447 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.002 -33.565 -12.441 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.236 -35.130 -12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.697 -36.376 -14.198 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.671 -36.153 -15.655 1.00 0.00 H new ATOM 548 N LEU A 34 12.965 -31.268 -12.715 1.00 0.00 N ATOM 549 CA LEU A 34 11.611 -30.726 -12.681 1.00 0.00 C ATOM 550 C LEU A 34 11.324 -30.062 -11.338 1.00 0.00 C ATOM 551 O LEU A 34 11.634 -30.613 -10.283 1.00 0.00 O ATOM 552 CB LEU A 34 10.590 -31.835 -12.943 1.00 0.00 C ATOM 553 CG LEU A 34 9.139 -31.383 -13.120 1.00 0.00 C ATOM 554 CD1 LEU A 34 8.377 -32.368 -13.993 1.00 0.00 C ATOM 555 CD2 LEU A 34 8.460 -31.229 -11.767 1.00 0.00 C ATOM 0 H LEU A 34 13.446 -31.259 -11.815 1.00 0.00 H new ATOM 0 HA LEU A 34 11.528 -29.972 -13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.893 -32.376 -13.839 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.631 -32.542 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 34 9.138 -30.413 -13.617 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.347 -32.031 -14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.851 -32.428 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.386 -33.352 -13.525 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.429 -30.907 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.471 -32.185 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.993 -30.485 -11.175 1.00 0.00 H new ATOM 567 N GLY A 35 10.728 -28.875 -11.386 1.00 0.00 N ATOM 568 CA GLY A 35 10.407 -28.156 -10.167 1.00 0.00 C ATOM 569 C GLY A 35 10.345 -26.656 -10.378 1.00 0.00 C ATOM 570 O GLY A 35 11.201 -26.082 -11.052 1.00 0.00 O ATOM 0 H GLY A 35 10.462 -28.398 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.448 -28.506 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.155 -28.382 -9.407 1.00 0.00 H new ATOM 574 N TRP A 36 9.331 -26.021 -9.802 1.00 0.00 N ATOM 575 CA TRP A 36 9.161 -24.578 -9.932 1.00 0.00 C ATOM 576 C TRP A 36 8.037 -24.079 -9.030 1.00 0.00 C ATOM 577 O TRP A 36 6.861 -24.332 -9.291 1.00 0.00 O ATOM 578 CB TRP A 36 8.867 -24.207 -11.386 1.00 0.00 C ATOM 579 CG TRP A 36 9.020 -22.743 -11.668 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.098 -21.763 -11.434 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.162 -22.095 -12.239 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.599 -20.544 -11.825 1.00 0.00 N ATOM 583 CE2 TRP A 36 9.863 -20.721 -12.322 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.408 -22.542 -12.687 1.00 0.00 C ATOM 585 CZ2 TRP A 36 10.766 -19.793 -12.834 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.303 -21.619 -13.196 1.00 0.00 C ATOM 587 CH2 TRP A 36 11.978 -20.258 -13.266 1.00 0.00 C ATOM 0 H TRP A 36 8.615 -26.482 -9.241 1.00 0.00 H new ATOM 0 HA TRP A 36 10.090 -24.099 -9.623 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.536 -24.767 -12.039 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.850 -24.513 -11.633 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.120 -21.922 -11.005 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.109 -19.652 -11.756 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.667 -23.589 -12.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.518 -18.743 -12.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.269 -21.953 -13.545 1.00 0.00 H new ATOM 0 HH2 TRP A 36 12.699 -19.562 -13.669 1.00 0.00 H new ATOM 598 N ARG A 37 8.406 -23.371 -7.968 1.00 0.00 N ATOM 599 CA ARG A 37 7.428 -22.838 -7.027 1.00 0.00 C ATOM 600 C ARG A 37 7.790 -21.414 -6.616 1.00 0.00 C ATOM 601 O ARG A 37 8.932 -21.132 -6.256 1.00 0.00 O ATOM 602 CB ARG A 37 7.341 -23.731 -5.788 1.00 0.00 C ATOM 603 CG ARG A 37 8.696 -24.143 -5.238 1.00 0.00 C ATOM 604 CD ARG A 37 8.609 -24.523 -3.768 1.00 0.00 C ATOM 605 NE ARG A 37 8.006 -25.840 -3.578 1.00 0.00 N ATOM 606 CZ ARG A 37 7.527 -26.268 -2.415 1.00 0.00 C ATOM 607 NH1 ARG A 37 7.580 -25.487 -1.345 1.00 0.00 N ATOM 608 NH2 ARG A 37 6.994 -27.479 -2.321 1.00 0.00 N ATOM 0 H ARG A 37 9.375 -23.153 -7.737 1.00 0.00 H new ATOM 0 HA ARG A 37 6.457 -22.820 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.787 -23.206 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.771 -24.627 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.081 -24.987 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.404 -23.324 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.608 -24.515 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.022 -23.775 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 37 7.950 -26.465 -4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.989 -24.555 -1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.212 -25.818 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.952 -28.083 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.627 -27.807 -1.428 1.00 0.00 H new ATOM 622 N ALA A 38 6.808 -20.520 -6.672 1.00 0.00 N ATOM 623 CA ALA A 38 7.022 -19.126 -6.304 1.00 0.00 C ATOM 624 C ALA A 38 5.966 -18.652 -5.311 1.00 0.00 C ATOM 625 O ALA A 38 4.794 -19.008 -5.421 1.00 0.00 O ATOM 626 CB ALA A 38 7.015 -18.245 -7.545 1.00 0.00 C ATOM 0 H ALA A 38 5.856 -20.737 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 38 7.997 -19.049 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.176 -17.207 -7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.811 -18.561 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.053 -18.336 -8.050 1.00 0.00 H new ATOM 632 N GLN A 39 6.391 -17.848 -4.341 1.00 0.00 N ATOM 633 CA GLN A 39 5.482 -17.327 -3.328 1.00 0.00 C ATOM 634 C GLN A 39 5.908 -15.934 -2.877 1.00 0.00 C ATOM 635 O GLN A 39 7.047 -15.729 -2.457 1.00 0.00 O ATOM 636 CB GLN A 39 5.430 -18.272 -2.125 1.00 0.00 C ATOM 637 CG GLN A 39 4.122 -18.202 -1.354 1.00 0.00 C ATOM 638 CD GLN A 39 2.973 -18.859 -2.093 1.00 0.00 C ATOM 639 OE1 GLN A 39 3.176 -19.553 -3.089 1.00 0.00 O ATOM 640 NE2 GLN A 39 1.756 -18.644 -1.607 1.00 0.00 N ATOM 0 H GLN A 39 7.359 -17.544 -4.236 1.00 0.00 H new ATOM 0 HA GLN A 39 4.488 -17.257 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.585 -19.294 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.253 -18.035 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.249 -18.685 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.875 -17.158 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.633 -18.062 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.944 -19.061 -2.062 1.00 0.00 H new ATOM 649 N ARG A 40 4.988 -14.980 -2.969 1.00 0.00 N ATOM 650 CA ARG A 40 5.269 -13.606 -2.572 1.00 0.00 C ATOM 651 C ARG A 40 4.796 -13.344 -1.145 1.00 0.00 C ATOM 652 O ARG A 40 3.973 -14.084 -0.607 1.00 0.00 O ATOM 653 CB ARG A 40 4.593 -12.626 -3.533 1.00 0.00 C ATOM 654 CG ARG A 40 5.023 -11.182 -3.333 1.00 0.00 C ATOM 655 CD ARG A 40 4.759 -10.345 -4.575 1.00 0.00 C ATOM 656 NE ARG A 40 5.966 -10.158 -5.375 1.00 0.00 N ATOM 657 CZ ARG A 40 6.290 -10.928 -6.408 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.500 -11.932 -6.764 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.405 -10.695 -7.088 1.00 0.00 N ATOM 0 H ARG A 40 4.041 -15.133 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 40 6.348 -13.457 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.815 -12.924 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.512 -12.695 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.487 -10.756 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.085 -11.148 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.993 -10.828 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.365 -9.372 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 40 6.595 -9.394 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.641 -12.114 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.751 -12.522 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.015 -9.924 -6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.652 -11.287 -7.881 1.00 0.00 H new ATOM 673 N GLY A 41 5.322 -12.285 -0.537 1.00 0.00 N ATOM 674 CA GLY A 41 4.943 -11.945 0.821 1.00 0.00 C ATOM 675 C GLY A 41 5.253 -10.502 1.166 1.00 0.00 C ATOM 676 O GLY A 41 6.104 -9.874 0.535 1.00 0.00 O ATOM 0 H GLY A 41 6.004 -11.657 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.876 -12.126 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.466 -12.602 1.516 1.00 0.00 H new ATOM 680 N CYS A 42 4.561 -9.973 2.170 1.00 0.00 N ATOM 681 CA CYS A 42 4.765 -8.594 2.596 1.00 0.00 C ATOM 682 C CYS A 42 5.436 -8.542 3.966 1.00 0.00 C ATOM 683 O CYS A 42 5.066 -9.281 4.878 1.00 0.00 O ATOM 684 CB CYS A 42 3.430 -7.849 2.642 1.00 0.00 C ATOM 685 SG CYS A 42 2.425 -8.032 1.133 1.00 0.00 S ATOM 0 H CYS A 42 3.854 -10.479 2.704 1.00 0.00 H new ATOM 0 HA CYS A 42 5.419 -8.109 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.854 -8.209 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.623 -6.790 2.811 1.00 0.00 H new ATOM 690 N ALA A 43 6.424 -7.663 4.102 1.00 0.00 N ATOM 691 CA ALA A 43 7.144 -7.513 5.361 1.00 0.00 C ATOM 692 C ALA A 43 7.666 -6.089 5.528 1.00 0.00 C ATOM 693 O ALA A 43 7.286 -5.187 4.782 1.00 0.00 O ATOM 694 CB ALA A 43 8.291 -8.509 5.434 1.00 0.00 C ATOM 0 H ALA A 43 6.744 -7.045 3.357 1.00 0.00 H new ATOM 0 HA ALA A 43 6.449 -7.716 6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.820 -8.386 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.897 -9.523 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.979 -8.333 4.607 1.00 0.00 H new ATOM 700 N VAL A 44 8.538 -5.896 6.512 1.00 0.00 N ATOM 701 CA VAL A 44 9.112 -4.582 6.777 1.00 0.00 C ATOM 702 C VAL A 44 10.633 -4.618 6.687 1.00 0.00 C ATOM 703 O VAL A 44 11.310 -3.659 7.057 1.00 0.00 O ATOM 704 CB VAL A 44 8.703 -4.061 8.168 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.272 -3.546 8.146 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.870 -5.151 9.215 1.00 0.00 C ATOM 0 H VAL A 44 8.862 -6.632 7.139 1.00 0.00 H new ATOM 0 HA VAL A 44 8.722 -3.907 6.015 1.00 0.00 H new ATOM 0 HB VAL A 44 9.358 -3.231 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.001 -3.182 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.189 -2.732 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.599 -4.354 7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.577 -4.766 10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.241 -6.003 8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.913 -5.467 9.248 1.00 0.00 H new ATOM 716 N SER A 45 11.165 -5.732 6.193 1.00 0.00 N ATOM 717 CA SER A 45 12.607 -5.895 6.057 1.00 0.00 C ATOM 718 C SER A 45 12.946 -6.723 4.821 1.00 0.00 C ATOM 719 O SER A 45 12.112 -7.474 4.315 1.00 0.00 O ATOM 720 CB SER A 45 13.186 -6.562 7.306 1.00 0.00 C ATOM 721 OG SER A 45 14.546 -6.210 7.489 1.00 0.00 O ATOM 0 H SER A 45 10.619 -6.535 5.881 1.00 0.00 H new ATOM 0 HA SER A 45 13.051 -4.906 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.609 -6.264 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.096 -7.645 7.218 1.00 0.00 H new ATOM 0 HG SER A 45 14.892 -6.648 8.295 1.00 0.00 H new ATOM 727 N CYS A 46 14.177 -6.580 4.340 1.00 0.00 N ATOM 728 CA CYS A 46 14.628 -7.313 3.164 1.00 0.00 C ATOM 729 C CYS A 46 15.689 -8.344 3.539 1.00 0.00 C ATOM 730 O CYS A 46 16.891 -8.103 3.429 1.00 0.00 O ATOM 731 CB CYS A 46 15.189 -6.346 2.119 1.00 0.00 C ATOM 732 SG CYS A 46 15.799 -7.158 0.606 1.00 0.00 S ATOM 0 H CYS A 46 14.880 -5.963 4.747 1.00 0.00 H new ATOM 0 HA CYS A 46 13.770 -7.837 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.412 -5.631 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.004 -5.777 2.567 1.00 0.00 H new ATOM 737 N PRO A 47 15.234 -9.522 3.993 1.00 0.00 N ATOM 738 CA PRO A 47 16.127 -10.613 4.393 1.00 0.00 C ATOM 739 C PRO A 47 16.848 -11.239 3.203 1.00 0.00 C ATOM 740 O PRO A 47 16.806 -10.711 2.092 1.00 0.00 O ATOM 741 CB PRO A 47 15.179 -11.628 5.038 1.00 0.00 C ATOM 742 CG PRO A 47 13.854 -11.358 4.414 1.00 0.00 C ATOM 743 CD PRO A 47 13.814 -9.878 4.149 1.00 0.00 C ATOM 0 HA PRO A 47 16.920 -10.268 5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.505 -12.651 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.140 -11.502 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.736 -11.923 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.042 -11.658 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.240 -9.646 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.351 -9.334 4.973 1.00 0.00 H new ATOM 751 N LYS A 48 17.508 -12.366 3.444 1.00 0.00 N ATOM 752 CA LYS A 48 18.237 -13.066 2.392 1.00 0.00 C ATOM 753 C LYS A 48 17.804 -14.526 2.309 1.00 0.00 C ATOM 754 O LYS A 48 16.878 -14.949 3.001 1.00 0.00 O ATOM 755 CB LYS A 48 19.744 -12.983 2.646 1.00 0.00 C ATOM 756 CG LYS A 48 20.141 -13.332 4.070 1.00 0.00 C ATOM 757 CD LYS A 48 20.107 -14.833 4.306 1.00 0.00 C ATOM 758 CE LYS A 48 20.838 -15.213 5.585 1.00 0.00 C ATOM 759 NZ LYS A 48 20.228 -14.572 6.783 1.00 0.00 N ATOM 0 H LYS A 48 17.554 -12.815 4.359 1.00 0.00 H new ATOM 0 HA LYS A 48 18.008 -12.583 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.257 -13.656 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.087 -11.974 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.143 -12.953 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.466 -12.837 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.072 -15.170 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.563 -15.346 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.822 -16.296 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.884 -14.917 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.688 -14.934 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.357 -13.541 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.212 -14.793 6.815 1.00 0.00 H new ATOM 773 N ALA A 49 18.481 -15.291 1.459 1.00 0.00 N ATOM 774 CA ALA A 49 18.168 -16.705 1.288 1.00 0.00 C ATOM 775 C ALA A 49 19.374 -17.474 0.761 1.00 0.00 C ATOM 776 O ALA A 49 20.476 -16.933 0.667 1.00 0.00 O ATOM 777 CB ALA A 49 16.981 -16.873 0.352 1.00 0.00 C ATOM 0 H ALA A 49 19.250 -14.956 0.878 1.00 0.00 H new ATOM 0 HA ALA A 49 17.907 -17.115 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.758 -17.933 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.113 -16.365 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.220 -16.442 -0.620 1.00 0.00 H new ATOM 783 N LYS A 50 19.159 -18.740 0.418 1.00 0.00 N ATOM 784 CA LYS A 50 20.228 -19.585 -0.101 1.00 0.00 C ATOM 785 C LYS A 50 20.624 -19.157 -1.510 1.00 0.00 C ATOM 786 O LYS A 50 19.853 -18.524 -2.233 1.00 0.00 O ATOM 787 CB LYS A 50 19.790 -21.051 -0.106 1.00 0.00 C ATOM 788 CG LYS A 50 19.826 -21.701 1.266 1.00 0.00 C ATOM 789 CD LYS A 50 21.242 -22.085 1.665 1.00 0.00 C ATOM 790 CE LYS A 50 21.246 -23.183 2.717 1.00 0.00 C ATOM 791 NZ LYS A 50 22.628 -23.634 3.041 1.00 0.00 N ATOM 0 H LYS A 50 18.253 -19.203 0.490 1.00 0.00 H new ATOM 0 HA LYS A 50 21.095 -19.473 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.777 -21.118 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.436 -21.612 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.412 -21.015 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.194 -22.589 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.791 -22.421 0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.763 -21.209 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.760 -22.820 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.661 -24.031 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.589 -24.383 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.083 -24.004 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.179 -22.831 3.406 1.00 0.00 H new ATOM 805 N PRO A 51 21.854 -19.510 -1.913 1.00 0.00 N ATOM 806 CA PRO A 51 22.379 -19.175 -3.240 1.00 0.00 C ATOM 807 C PRO A 51 21.684 -19.953 -4.353 1.00 0.00 C ATOM 808 O PRO A 51 21.765 -19.585 -5.524 1.00 0.00 O ATOM 809 CB PRO A 51 23.854 -19.573 -3.149 1.00 0.00 C ATOM 810 CG PRO A 51 23.897 -20.626 -2.096 1.00 0.00 C ATOM 811 CD PRO A 51 22.826 -20.265 -1.105 1.00 0.00 C ATOM 0 HA PRO A 51 22.221 -18.125 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.222 -19.951 -4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.479 -18.720 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.717 -21.612 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.876 -20.660 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.375 -21.152 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.222 -19.663 -0.287 1.00 0.00 H new ATOM 819 N ASN A 52 21.001 -21.029 -3.978 1.00 0.00 N ATOM 820 CA ASN A 52 20.292 -21.860 -4.944 1.00 0.00 C ATOM 821 C ASN A 52 18.930 -21.260 -5.281 1.00 0.00 C ATOM 822 O ASN A 52 18.567 -21.138 -6.451 1.00 0.00 O ATOM 823 CB ASN A 52 20.116 -23.278 -4.398 1.00 0.00 C ATOM 824 CG ASN A 52 21.441 -23.982 -4.180 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.015 -24.549 -5.110 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.933 -23.949 -2.947 1.00 0.00 N ATOM 0 H ASN A 52 20.923 -21.346 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 52 20.887 -21.901 -5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.570 -23.236 -3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.509 -23.859 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.821 -24.406 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.423 -23.467 -2.207 1.00 0.00 H new ATOM 833 N GLU A 53 18.182 -20.886 -4.248 1.00 0.00 N ATOM 834 CA GLU A 53 16.860 -20.299 -4.435 1.00 0.00 C ATOM 835 C GLU A 53 16.969 -18.860 -4.929 1.00 0.00 C ATOM 836 O GLU A 53 18.068 -18.331 -5.102 1.00 0.00 O ATOM 837 CB GLU A 53 16.068 -20.342 -3.126 1.00 0.00 C ATOM 838 CG GLU A 53 16.504 -19.293 -2.117 1.00 0.00 C ATOM 839 CD GLU A 53 15.998 -19.584 -0.718 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.838 -19.229 -0.419 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.762 -20.168 0.079 1.00 0.00 O ATOM 0 H GLU A 53 18.468 -20.979 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 53 16.334 -20.885 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.010 -20.204 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.174 -21.330 -2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.593 -19.239 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.141 -18.316 -2.435 1.00 0.00 H new ATOM 848 N THR A 54 15.821 -18.230 -5.157 1.00 0.00 N ATOM 849 CA THR A 54 15.786 -16.853 -5.633 1.00 0.00 C ATOM 850 C THR A 54 14.874 -15.993 -4.764 1.00 0.00 C ATOM 851 O THR A 54 13.805 -16.435 -4.342 1.00 0.00 O ATOM 852 CB THR A 54 15.305 -16.775 -7.094 1.00 0.00 C ATOM 853 OG1 THR A 54 15.718 -17.946 -7.808 1.00 0.00 O ATOM 854 CG2 THR A 54 15.857 -15.535 -7.781 1.00 0.00 C ATOM 0 H THR A 54 14.903 -18.652 -5.020 1.00 0.00 H new ATOM 0 HA THR A 54 16.806 -16.473 -5.573 1.00 0.00 H new ATOM 0 HB THR A 54 14.217 -16.715 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.017 -18.207 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.503 -15.502 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.517 -14.644 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.946 -15.569 -7.772 1.00 0.00 H new ATOM 862 N VAL A 55 15.303 -14.763 -4.499 1.00 0.00 N ATOM 863 CA VAL A 55 14.524 -13.841 -3.682 1.00 0.00 C ATOM 864 C VAL A 55 14.643 -12.412 -4.200 1.00 0.00 C ATOM 865 O VAL A 55 15.744 -11.924 -4.452 1.00 0.00 O ATOM 866 CB VAL A 55 14.973 -13.880 -2.209 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.194 -12.867 -1.386 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.809 -15.281 -1.640 1.00 0.00 C ATOM 0 H VAL A 55 16.186 -14.382 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 55 13.484 -14.162 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 55 16.029 -13.614 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.525 -12.909 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.367 -11.866 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.130 -13.098 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.131 -15.291 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.762 -15.577 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.417 -15.980 -2.214 1.00 0.00 H new ATOM 878 N GLN A 56 13.503 -11.748 -4.356 1.00 0.00 N ATOM 879 CA GLN A 56 13.480 -10.375 -4.844 1.00 0.00 C ATOM 880 C GLN A 56 12.608 -9.495 -3.954 1.00 0.00 C ATOM 881 O GLN A 56 11.399 -9.704 -3.851 1.00 0.00 O ATOM 882 CB GLN A 56 12.966 -10.332 -6.284 1.00 0.00 C ATOM 883 CG GLN A 56 13.635 -11.345 -7.200 1.00 0.00 C ATOM 884 CD GLN A 56 12.960 -12.701 -7.161 1.00 0.00 C ATOM 885 OE1 GLN A 56 13.684 -13.709 -6.687 1.00 0.00 O flip ATOM 886 NE2 GLN A 56 11.801 -12.843 -7.552 1.00 0.00 N flip ATOM 0 H GLN A 56 12.583 -12.139 -4.152 1.00 0.00 H new ATOM 0 HA GLN A 56 14.499 -9.990 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.891 -10.511 -6.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.122 -9.331 -6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.624 -10.967 -8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.680 -11.455 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.281 -12.041 -7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.361 -13.763 -7.519 1.00 0.00 H new ATOM 895 N CYS A 57 13.229 -8.510 -3.314 1.00 0.00 N ATOM 896 CA CYS A 57 12.511 -7.599 -2.431 1.00 0.00 C ATOM 897 C CYS A 57 12.502 -6.183 -3.002 1.00 0.00 C ATOM 898 O CYS A 57 13.475 -5.743 -3.614 1.00 0.00 O ATOM 899 CB CYS A 57 13.146 -7.596 -1.040 1.00 0.00 C ATOM 900 SG CYS A 57 14.719 -6.682 -0.943 1.00 0.00 S ATOM 0 H CYS A 57 14.229 -8.322 -3.391 1.00 0.00 H new ATOM 0 HA CYS A 57 11.481 -7.947 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.441 -7.161 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.317 -8.626 -0.728 1.00 0.00 H new ATOM 905 N CYS A 58 11.397 -5.475 -2.796 1.00 0.00 N ATOM 906 CA CYS A 58 11.260 -4.110 -3.289 1.00 0.00 C ATOM 907 C CYS A 58 10.503 -3.243 -2.287 1.00 0.00 C ATOM 908 O CYS A 58 9.678 -3.739 -1.520 1.00 0.00 O ATOM 909 CB CYS A 58 10.534 -4.103 -4.636 1.00 0.00 C ATOM 910 SG CYS A 58 11.520 -3.420 -6.008 1.00 0.00 S ATOM 0 H CYS A 58 10.583 -5.824 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 58 12.260 -3.695 -3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.242 -5.123 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.616 -3.524 -4.539 1.00 0.00 H new ATOM 915 N SER A 59 10.791 -1.945 -2.300 1.00 0.00 N ATOM 916 CA SER A 59 10.141 -1.009 -1.390 1.00 0.00 C ATOM 917 C SER A 59 9.618 0.208 -2.146 1.00 0.00 C ATOM 918 O SER A 59 9.994 1.344 -1.856 1.00 0.00 O ATOM 919 CB SER A 59 11.117 -0.565 -0.299 1.00 0.00 C ATOM 920 OG SER A 59 12.438 -0.473 -0.803 1.00 0.00 O ATOM 0 H SER A 59 11.470 -1.518 -2.930 1.00 0.00 H new ATOM 0 HA SER A 59 9.296 -1.518 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.808 0.402 0.098 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.089 -1.274 0.529 1.00 0.00 H new ATOM 0 HG SER A 59 13.042 -0.186 -0.087 1.00 0.00 H new ATOM 926 N THR A 60 8.746 -0.037 -3.120 1.00 0.00 N ATOM 927 CA THR A 60 8.171 1.037 -3.919 1.00 0.00 C ATOM 928 C THR A 60 7.007 0.531 -4.764 1.00 0.00 C ATOM 929 O THR A 60 6.938 -0.652 -5.097 1.00 0.00 O ATOM 930 CB THR A 60 9.224 1.674 -4.845 1.00 0.00 C ATOM 931 OG1 THR A 60 10.415 0.879 -4.852 1.00 0.00 O ATOM 932 CG2 THR A 60 9.555 3.089 -4.395 1.00 0.00 C ATOM 0 H THR A 60 8.423 -0.971 -3.374 1.00 0.00 H new ATOM 0 HA THR A 60 7.809 1.791 -3.221 1.00 0.00 H new ATOM 0 HB THR A 60 8.811 1.718 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.079 1.290 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.301 3.518 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.652 3.699 -4.419 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.950 3.065 -3.379 1.00 0.00 H new ATOM 940 N ASP A 61 6.095 1.434 -5.108 1.00 0.00 N ATOM 941 CA ASP A 61 4.935 1.080 -5.916 1.00 0.00 C ATOM 942 C ASP A 61 5.356 0.688 -7.329 1.00 0.00 C ATOM 943 O ASP A 61 6.053 1.438 -8.012 1.00 0.00 O ATOM 944 CB ASP A 61 3.948 2.247 -5.971 1.00 0.00 C ATOM 945 CG ASP A 61 4.579 3.514 -6.513 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.267 4.213 -5.740 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.387 3.806 -7.712 1.00 0.00 O ATOM 0 H ASP A 61 6.137 2.417 -4.839 1.00 0.00 H new ATOM 0 HA ASP A 61 4.447 0.224 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.099 1.971 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.559 2.437 -4.971 1.00 0.00 H new ATOM 952 N LYS A 62 4.929 -0.494 -7.762 1.00 0.00 N ATOM 953 CA LYS A 62 5.261 -0.987 -9.093 1.00 0.00 C ATOM 954 C LYS A 62 6.764 -1.201 -9.235 1.00 0.00 C ATOM 955 O LYS A 62 7.297 -1.218 -10.345 1.00 0.00 O ATOM 956 CB LYS A 62 4.772 -0.005 -10.160 1.00 0.00 C ATOM 957 CG LYS A 62 3.338 0.452 -9.955 1.00 0.00 C ATOM 958 CD LYS A 62 2.358 -0.698 -10.117 1.00 0.00 C ATOM 959 CE LYS A 62 2.347 -1.225 -11.544 1.00 0.00 C ATOM 960 NZ LYS A 62 2.014 -0.157 -12.527 1.00 0.00 N ATOM 0 H LYS A 62 4.352 -1.128 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 62 4.761 -1.945 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.425 0.868 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.858 -0.474 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.232 0.885 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.100 1.238 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.625 -1.504 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.357 -0.365 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.323 -1.647 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.621 -2.034 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.751 -0.591 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.217 0.408 -12.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.841 0.459 -12.664 1.00 0.00 H new ATOM 974 N CYS A 63 7.443 -1.365 -8.105 1.00 0.00 N ATOM 975 CA CYS A 63 8.885 -1.579 -8.103 1.00 0.00 C ATOM 976 C CYS A 63 9.217 -3.055 -8.301 1.00 0.00 C ATOM 977 O CYS A 63 9.967 -3.418 -9.206 1.00 0.00 O ATOM 978 CB CYS A 63 9.494 -1.080 -6.791 1.00 0.00 C ATOM 979 SG CYS A 63 11.219 -1.603 -6.525 1.00 0.00 S ATOM 0 H CYS A 63 7.017 -1.354 -7.178 1.00 0.00 H new ATOM 0 HA CYS A 63 9.311 -1.015 -8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.449 0.009 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.885 -1.438 -5.961 1.00 0.00 H new ATOM 984 N ASN A 64 8.651 -3.903 -7.447 1.00 0.00 N ATOM 985 CA ASN A 64 8.887 -5.340 -7.527 1.00 0.00 C ATOM 986 C ASN A 64 8.691 -5.844 -8.954 1.00 0.00 C ATOM 987 O ASN A 64 9.644 -6.257 -9.615 1.00 0.00 O ATOM 988 CB ASN A 64 7.947 -6.085 -6.578 1.00 0.00 C ATOM 989 CG ASN A 64 8.585 -7.330 -5.992 1.00 0.00 C ATOM 990 OD1 ASN A 64 7.886 -7.972 -5.063 1.00 0.00 O flip ATOM 991 ND2 ASN A 64 9.693 -7.709 -6.370 1.00 0.00 N flip ATOM 0 H ASN A 64 8.026 -3.620 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 64 9.918 -5.531 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.648 -5.418 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.039 -6.363 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.194 -7.184 -7.087 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.110 -8.548 -5.967 1.00 0.00 H new ATOM 998 N LYS A 65 7.448 -5.807 -9.423 1.00 0.00 N ATOM 999 CA LYS A 65 7.126 -6.257 -10.772 1.00 0.00 C ATOM 1000 C LYS A 65 6.004 -5.416 -11.373 1.00 0.00 C ATOM 1001 O LYS A 65 6.200 -4.726 -12.374 1.00 0.00 O ATOM 1002 CB LYS A 65 6.719 -7.732 -10.755 1.00 0.00 C ATOM 1003 CG LYS A 65 7.842 -8.678 -11.144 1.00 0.00 C ATOM 1004 CD LYS A 65 8.430 -9.374 -9.928 1.00 0.00 C ATOM 1005 CE LYS A 65 8.629 -10.861 -10.179 1.00 0.00 C ATOM 1006 NZ LYS A 65 7.333 -11.574 -10.347 1.00 0.00 N ATOM 0 H LYS A 65 6.647 -5.470 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 65 8.016 -6.138 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.366 -7.991 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.881 -7.877 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.465 -9.423 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.625 -8.122 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.385 -8.916 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.770 -9.234 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.238 -11.000 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.179 -11.299 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.457 -12.580 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.622 -11.156 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.013 -11.486 -11.333 1.00 0.00 H new TER 1020 LYS A 65