USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -2.27! K(o=-2.3!,f=-0.11) USER MOD Set 2.1: A 36 THR OG1 : rot 107:sc= 0.401 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0.567 USER MOD Set 3.1: A 29 MET CE :methyl 167:sc= -0.377 (180deg=-0.526) USER MOD Set 3.2: A 70 SER OG : rot 102:sc= 1.26 USER MOD Set 4.1: A 21 LYS NZ :NH3+ 165:sc= 0.605 (180deg=0) USER MOD Set 4.2: A 49 GLN : amide:sc= 0.55 K(o=1.2,f=-3.8!) USER MOD Single : A 1 MET CE :methyl -159:sc= -7.2! (180deg=-8.15!) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0819 (180deg=-0.662) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.15) USER MOD Single : A 7 ASN : amide:sc= 0.0332 X(o=0.033,f=-0.16) USER MOD Single : A 8 CYS SG : rot -170:sc= 0.935 USER MOD Single : A 11 GLN : amide:sc= -1.68! K(o=-1.7!,f=0) USER MOD Single : A 12 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-7.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 23 SER OG : rot -108:sc= 0.383 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 165:sc= -0.827 (180deg=-0.977) USER MOD Single : A 28 HIS : no HD1:sc= 0.179 K(o=0.18,f=-5.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -129:sc= -0.174 (180deg=-0.75) USER MOD Single : A 45 ASN : amide:sc= -0.0856 X(o=-0.086,f=-0.0038) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 50 GLN : amide:sc= -5.68! K(o=-5.7!,f=-0.85) USER MOD Single : A 51 GLN : amide:sc= -0.0177 K(o=-0.018,f=-0.86) USER MOD Single : A 55 MET CE :methyl -135:sc= -0.692 (180deg=-3.43!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -155:sc= -5.58! (180deg=-8.72!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.14 (180deg=0.989) USER MOD Single : A 65 ASN : amide:sc= -0.525 K(o=-0.52,f=-4.5!) USER MOD Single : A 67 SER OG : rot -110:sc= 0.0494 USER MOD Single : A 68 TYR OH : rot 133:sc= -5.77! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.0195 X(o=0.02,f=-0.15) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.738 -7.745 -8.648 1.00 0.00 N ATOM 62 CA MET A 1 5.344 -6.649 -9.482 1.00 0.00 C ATOM 63 C MET A 1 6.223 -6.608 -10.710 1.00 0.00 C ATOM 64 O MET A 1 7.400 -6.969 -10.651 1.00 0.00 O ATOM 65 CB MET A 1 5.491 -5.355 -8.694 1.00 0.00 C ATOM 66 CG MET A 1 4.949 -4.124 -9.388 1.00 0.00 C ATOM 67 SD MET A 1 4.903 -2.726 -8.268 1.00 0.00 S ATOM 68 CE MET A 1 4.174 -3.517 -6.837 1.00 0.00 C ATOM 0 H1 MET A 1 5.735 -7.443 -7.653 1.00 0.00 H new ATOM 0 H2 MET A 1 5.071 -8.533 -8.773 1.00 0.00 H new ATOM 0 H3 MET A 1 6.695 -8.056 -8.912 1.00 0.00 H new ATOM 0 HA MET A 1 4.307 -6.771 -9.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.982 -5.469 -7.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.547 -5.197 -8.476 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.571 -3.884 -10.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.946 -4.326 -9.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.730 -2.761 -6.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.402 -4.215 -7.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.945 -4.057 -6.288 1.00 0.00 H new ATOM 78 N ASP A 2 5.672 -6.138 -11.803 1.00 0.00 N ATOM 79 CA ASP A 2 6.451 -6.018 -13.017 1.00 0.00 C ATOM 80 C ASP A 2 7.489 -4.933 -12.807 1.00 0.00 C ATOM 81 O ASP A 2 7.148 -3.811 -12.451 1.00 0.00 O ATOM 82 CB ASP A 2 5.565 -5.690 -14.227 1.00 0.00 C ATOM 83 CG ASP A 2 6.343 -5.633 -15.533 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.561 -5.912 -15.528 1.00 0.00 O ATOM 85 OD2 ASP A 2 5.734 -5.320 -16.574 1.00 0.00 O ATOM 0 H ASP A 2 4.701 -5.835 -11.880 1.00 0.00 H new ATOM 0 HA ASP A 2 6.936 -6.971 -13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.780 -6.442 -14.310 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.073 -4.732 -14.061 1.00 0.00 H new ATOM 90 N ALA A 3 8.747 -5.281 -13.000 1.00 0.00 N ATOM 91 CA ALA A 3 9.836 -4.342 -12.819 1.00 0.00 C ATOM 92 C ALA A 3 9.689 -3.163 -13.776 1.00 0.00 C ATOM 93 O ALA A 3 9.985 -2.036 -13.423 1.00 0.00 O ATOM 94 CB ALA A 3 11.173 -5.041 -13.006 1.00 0.00 C ATOM 0 H ALA A 3 9.041 -6.215 -13.285 1.00 0.00 H new ATOM 0 HA ALA A 3 9.799 -3.953 -11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.981 -4.323 -12.867 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.270 -5.843 -12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.228 -5.459 -14.011 1.00 0.00 H new ATOM 100 N LYS A 4 9.194 -3.428 -14.976 1.00 0.00 N ATOM 101 CA LYS A 4 8.975 -2.376 -15.969 1.00 0.00 C ATOM 102 C LYS A 4 7.864 -1.435 -15.487 1.00 0.00 C ATOM 103 O LYS A 4 7.895 -0.229 -15.735 1.00 0.00 O ATOM 104 CB LYS A 4 8.632 -3.031 -17.317 1.00 0.00 C ATOM 105 CG LYS A 4 8.435 -2.073 -18.486 1.00 0.00 C ATOM 106 CD LYS A 4 6.983 -1.660 -18.638 1.00 0.00 C ATOM 107 CE LYS A 4 6.617 -1.404 -20.090 1.00 0.00 C ATOM 108 NZ LYS A 4 7.344 -0.256 -20.672 1.00 0.00 N ATOM 0 H LYS A 4 8.935 -4.363 -15.290 1.00 0.00 H new ATOM 0 HA LYS A 4 9.876 -1.776 -16.100 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.428 -3.729 -17.574 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.721 -3.617 -17.194 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.051 -1.186 -18.337 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.776 -2.547 -19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.339 -2.441 -18.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.798 -0.759 -18.053 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.830 -2.298 -20.676 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.545 -1.223 -20.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.971 -0.054 -21.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.217 0.579 -20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.356 -0.484 -20.739 1.00 0.00 H new ATOM 122 N ALA A 5 6.913 -1.998 -14.757 1.00 0.00 N ATOM 123 CA ALA A 5 5.806 -1.247 -14.178 1.00 0.00 C ATOM 124 C ALA A 5 6.293 -0.485 -12.952 1.00 0.00 C ATOM 125 O ALA A 5 6.185 0.742 -12.873 1.00 0.00 O ATOM 126 CB ALA A 5 4.711 -2.233 -13.773 1.00 0.00 C ATOM 0 H ALA A 5 6.886 -2.996 -14.547 1.00 0.00 H new ATOM 0 HA ALA A 5 5.415 -0.534 -14.904 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.874 -1.688 -13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.370 -2.779 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.107 -2.936 -13.040 1.00 0.00 H new ATOM 132 N ARG A 6 6.834 -1.239 -12.007 1.00 0.00 N ATOM 133 CA ARG A 6 7.343 -0.699 -10.754 1.00 0.00 C ATOM 134 C ARG A 6 8.421 0.362 -10.983 1.00 0.00 C ATOM 135 O ARG A 6 8.581 1.290 -10.187 1.00 0.00 O ATOM 136 CB ARG A 6 7.894 -1.847 -9.910 1.00 0.00 C ATOM 137 CG ARG A 6 8.250 -1.451 -8.494 1.00 0.00 C ATOM 138 CD ARG A 6 8.767 -2.642 -7.704 1.00 0.00 C ATOM 139 NE ARG A 6 9.972 -3.220 -8.305 1.00 0.00 N ATOM 140 CZ ARG A 6 11.131 -2.573 -8.430 1.00 0.00 C ATOM 141 NH1 ARG A 6 11.284 -1.358 -7.933 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.152 -3.152 -9.034 1.00 0.00 N ATOM 0 H ARG A 6 6.933 -2.251 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 6 6.523 -0.208 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.156 -2.648 -9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.781 -2.250 -10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.007 -0.667 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.373 -1.036 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.985 -2.332 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.990 -3.404 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 6 9.921 -4.179 -8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.510 -0.905 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.176 -0.874 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.055 -4.097 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.038 -2.655 -9.128 1.00 0.00 H new ATOM 156 N ASN A 7 9.154 0.229 -12.073 1.00 0.00 N ATOM 157 CA ASN A 7 10.204 1.176 -12.394 1.00 0.00 C ATOM 158 C ASN A 7 9.640 2.425 -13.019 1.00 0.00 C ATOM 159 O ASN A 7 9.958 3.500 -12.572 1.00 0.00 O ATOM 160 CB ASN A 7 11.276 0.561 -13.299 1.00 0.00 C ATOM 161 CG ASN A 7 12.388 -0.128 -12.525 1.00 0.00 C ATOM 162 OD1 ASN A 7 12.999 0.458 -11.630 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.661 -1.378 -12.867 1.00 0.00 N ATOM 0 H ASN A 7 9.041 -0.525 -12.750 1.00 0.00 H new ATOM 0 HA ASN A 7 10.683 1.446 -11.453 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.807 -0.160 -13.969 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.707 1.343 -13.924 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.400 -1.889 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.133 -1.829 -13.614 1.00 0.00 H new ATOM 170 N CYS A 8 8.774 2.303 -14.014 1.00 0.00 N ATOM 171 CA CYS A 8 8.170 3.489 -14.626 1.00 0.00 C ATOM 172 C CYS A 8 7.468 4.326 -13.561 1.00 0.00 C ATOM 173 O CYS A 8 7.236 5.521 -13.736 1.00 0.00 O ATOM 174 CB CYS A 8 7.200 3.074 -15.736 1.00 0.00 C ATOM 175 SG CYS A 8 8.005 2.548 -17.274 1.00 0.00 S ATOM 0 H CYS A 8 8.474 1.414 -14.413 1.00 0.00 H new ATOM 0 HA CYS A 8 8.953 4.100 -15.075 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.575 2.260 -15.370 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.537 3.911 -15.955 1.00 0.00 H new ATOM 0 HG CYS A 8 7.110 2.410 -18.207 1.00 0.00 H new ATOM 181 N LEU A 9 7.193 3.687 -12.440 1.00 0.00 N ATOM 182 CA LEU A 9 6.589 4.341 -11.311 1.00 0.00 C ATOM 183 C LEU A 9 7.641 5.114 -10.522 1.00 0.00 C ATOM 184 O LEU A 9 7.594 6.339 -10.443 1.00 0.00 O ATOM 185 CB LEU A 9 5.915 3.288 -10.419 1.00 0.00 C ATOM 186 CG LEU A 9 5.911 3.567 -8.912 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.923 4.666 -8.561 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.603 2.296 -8.132 1.00 0.00 C ATOM 0 H LEU A 9 7.386 2.696 -12.293 1.00 0.00 H new ATOM 0 HA LEU A 9 5.839 5.050 -11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.882 3.174 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.410 2.332 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 9 6.907 3.910 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.942 4.842 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.197 5.582 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.920 4.363 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.605 2.515 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.623 1.919 -8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.361 1.543 -8.349 1.00 0.00 H new ATOM 200 N LEU A 10 8.583 4.380 -9.928 1.00 0.00 N ATOM 201 CA LEU A 10 9.635 4.986 -9.107 1.00 0.00 C ATOM 202 C LEU A 10 10.628 5.829 -9.931 1.00 0.00 C ATOM 203 O LEU A 10 11.195 6.802 -9.430 1.00 0.00 O ATOM 204 CB LEU A 10 10.410 3.887 -8.383 1.00 0.00 C ATOM 205 CG LEU A 10 9.606 3.052 -7.387 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.422 1.860 -6.915 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.188 3.900 -6.202 1.00 0.00 C ATOM 0 H LEU A 10 8.640 3.364 -10.000 1.00 0.00 H new ATOM 0 HA LEU A 10 9.141 5.653 -8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.836 3.217 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.245 4.346 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 10 8.710 2.686 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.836 1.275 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.684 1.237 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.332 2.212 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.616 3.291 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.075 4.290 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.572 4.730 -6.548 1.00 0.00 H new ATOM 219 N GLN A 11 10.842 5.425 -11.184 1.00 0.00 N ATOM 220 CA GLN A 11 11.769 6.099 -12.101 1.00 0.00 C ATOM 221 C GLN A 11 11.323 7.526 -12.359 1.00 0.00 C ATOM 222 O GLN A 11 12.156 8.410 -12.524 1.00 0.00 O ATOM 223 CB GLN A 11 11.878 5.334 -13.418 1.00 0.00 C ATOM 224 CG GLN A 11 12.924 5.875 -14.380 1.00 0.00 C ATOM 225 CD GLN A 11 12.950 5.100 -15.681 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.781 5.344 -16.556 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.035 4.155 -15.819 1.00 0.00 N ATOM 0 H GLN A 11 10.376 4.617 -11.596 1.00 0.00 H new ATOM 0 HA GLN A 11 12.752 6.122 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.109 4.292 -13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.907 5.348 -13.913 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.718 6.925 -14.587 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.907 5.830 -13.911 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.363 3.983 -15.071 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.001 3.599 -16.673 1.00 0.00 H new ATOM 236 N HIS A 12 10.010 7.757 -12.343 1.00 0.00 N ATOM 237 CA HIS A 12 9.466 9.095 -12.521 1.00 0.00 C ATOM 238 C HIS A 12 9.582 9.864 -11.225 1.00 0.00 C ATOM 239 O HIS A 12 8.678 10.575 -10.799 1.00 0.00 O ATOM 240 CB HIS A 12 8.031 9.065 -13.046 1.00 0.00 C ATOM 241 CG HIS A 12 7.981 8.986 -14.538 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.639 9.880 -15.356 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.362 8.109 -15.360 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.425 9.557 -16.617 1.00 0.00 C ATOM 245 NE2 HIS A 12 7.653 8.486 -16.650 1.00 0.00 N ATOM 0 H HIS A 12 9.306 7.031 -12.208 1.00 0.00 H new ATOM 0 HA HIS A 12 10.051 9.610 -13.283 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.507 8.209 -12.620 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.504 9.959 -12.713 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.203 10.668 -15.036 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.753 7.269 -15.060 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.815 10.080 -17.477 1.00 0.00 H new ATOM 254 N ARG A 13 10.754 9.699 -10.645 1.00 0.00 N ATOM 255 CA ARG A 13 11.182 10.334 -9.405 1.00 0.00 C ATOM 256 C ARG A 13 11.038 11.848 -9.513 1.00 0.00 C ATOM 257 O ARG A 13 10.988 12.552 -8.507 1.00 0.00 O ATOM 258 CB ARG A 13 12.647 9.959 -9.137 1.00 0.00 C ATOM 259 CG ARG A 13 13.102 10.145 -7.696 1.00 0.00 C ATOM 260 CD ARG A 13 12.368 9.202 -6.754 1.00 0.00 C ATOM 261 NE ARG A 13 13.034 9.086 -5.450 1.00 0.00 N ATOM 262 CZ ARG A 13 14.114 8.345 -5.228 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.632 7.617 -6.202 1.00 0.00 N ATOM 264 NH2 ARG A 13 14.661 8.317 -4.019 1.00 0.00 N ATOM 0 H ARG A 13 11.471 9.091 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 13 10.558 9.989 -8.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.798 8.917 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.285 10.560 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.175 9.968 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.928 11.176 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.348 9.559 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.298 8.216 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 13 12.643 9.607 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.202 7.623 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.461 7.049 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.252 8.864 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.490 7.748 -3.847 1.00 0.00 H new ATOM 278 N GLU A 14 10.939 12.336 -10.754 1.00 0.00 N ATOM 279 CA GLU A 14 10.756 13.755 -11.014 1.00 0.00 C ATOM 280 C GLU A 14 9.448 14.202 -10.381 1.00 0.00 C ATOM 281 O GLU A 14 9.290 15.361 -9.997 1.00 0.00 O ATOM 282 CB GLU A 14 10.693 14.056 -12.517 1.00 0.00 C ATOM 283 CG GLU A 14 11.735 13.343 -13.365 1.00 0.00 C ATOM 284 CD GLU A 14 11.327 11.930 -13.735 1.00 0.00 C ATOM 285 OE1 GLU A 14 10.235 11.749 -14.316 1.00 0.00 O ATOM 286 OE2 GLU A 14 12.095 10.995 -13.446 1.00 0.00 O ATOM 0 H GLU A 14 10.984 11.759 -11.594 1.00 0.00 H new ATOM 0 HA GLU A 14 11.608 14.288 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.703 13.786 -12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.804 15.131 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.909 13.916 -14.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.680 13.313 -12.822 1.00 0.00 H new ATOM 293 N ALA A 15 8.502 13.268 -10.284 1.00 0.00 N ATOM 294 CA ALA A 15 7.208 13.571 -9.702 1.00 0.00 C ATOM 295 C ALA A 15 6.774 12.513 -8.686 1.00 0.00 C ATOM 296 O ALA A 15 5.722 12.650 -8.074 1.00 0.00 O ATOM 297 CB ALA A 15 6.168 13.735 -10.798 1.00 0.00 C ATOM 0 H ALA A 15 8.612 12.304 -10.600 1.00 0.00 H new ATOM 0 HA ALA A 15 7.298 14.511 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.200 13.962 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.462 14.550 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.095 12.811 -11.371 1.00 0.00 H new ATOM 303 N LEU A 16 7.581 11.458 -8.512 1.00 0.00 N ATOM 304 CA LEU A 16 7.254 10.388 -7.561 1.00 0.00 C ATOM 305 C LEU A 16 6.886 10.945 -6.181 1.00 0.00 C ATOM 306 O LEU A 16 5.717 11.029 -5.833 1.00 0.00 O ATOM 307 CB LEU A 16 8.419 9.416 -7.396 1.00 0.00 C ATOM 308 CG LEU A 16 8.057 8.139 -6.634 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.463 7.116 -7.582 1.00 0.00 C ATOM 310 CD2 LEU A 16 9.260 7.565 -5.913 1.00 0.00 C ATOM 0 H LEU A 16 8.459 11.323 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 16 6.394 9.863 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.796 9.145 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.230 9.922 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 16 7.313 8.394 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.209 6.212 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.563 7.525 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.189 6.875 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.968 6.659 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.039 7.326 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.640 8.297 -5.200 1.00 0.00 H new ATOM 322 N GLU A 17 7.892 11.309 -5.397 1.00 0.00 N ATOM 323 CA GLU A 17 7.678 11.834 -4.049 1.00 0.00 C ATOM 324 C GLU A 17 6.990 13.204 -4.092 1.00 0.00 C ATOM 325 O GLU A 17 6.410 13.661 -3.109 1.00 0.00 O ATOM 326 CB GLU A 17 9.034 11.911 -3.335 1.00 0.00 C ATOM 327 CG GLU A 17 8.968 12.093 -1.825 1.00 0.00 C ATOM 328 CD GLU A 17 9.006 13.544 -1.404 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.915 14.271 -1.858 1.00 0.00 O ATOM 330 OE2 GLU A 17 8.143 13.963 -0.602 1.00 0.00 O ATOM 0 H GLU A 17 8.873 11.251 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 17 7.015 11.168 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.591 10.999 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.602 12.739 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.053 11.635 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.802 11.564 -1.364 1.00 0.00 H new ATOM 337 N LYS A 18 7.064 13.846 -5.251 1.00 0.00 N ATOM 338 CA LYS A 18 6.466 15.161 -5.460 1.00 0.00 C ATOM 339 C LYS A 18 4.943 15.084 -5.634 1.00 0.00 C ATOM 340 O LYS A 18 4.248 16.087 -5.470 1.00 0.00 O ATOM 341 CB LYS A 18 7.101 15.823 -6.698 1.00 0.00 C ATOM 342 CG LYS A 18 6.610 17.233 -6.986 1.00 0.00 C ATOM 343 CD LYS A 18 7.312 17.822 -8.202 1.00 0.00 C ATOM 344 CE LYS A 18 6.807 19.218 -8.517 1.00 0.00 C ATOM 345 NZ LYS A 18 7.465 19.796 -9.722 1.00 0.00 N ATOM 0 H LYS A 18 7.539 13.472 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 18 6.662 15.760 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.182 15.850 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.903 15.199 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.533 17.219 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.787 17.867 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.386 17.855 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.153 17.174 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.729 19.186 -8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.985 19.869 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.089 20.749 -9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.491 19.852 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.274 19.190 -10.546 1.00 0.00 H new ATOM 359 N ASP A 19 4.421 13.918 -6.002 1.00 0.00 N ATOM 360 CA ASP A 19 2.979 13.783 -6.219 1.00 0.00 C ATOM 361 C ASP A 19 2.381 12.596 -5.469 1.00 0.00 C ATOM 362 O ASP A 19 1.252 12.676 -4.990 1.00 0.00 O ATOM 363 CB ASP A 19 2.686 13.655 -7.712 1.00 0.00 C ATOM 364 CG ASP A 19 1.466 14.455 -8.133 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.932 15.228 -7.306 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.059 14.342 -9.305 1.00 0.00 O ATOM 0 H ASP A 19 4.960 13.066 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 19 2.510 14.684 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.553 13.993 -8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.532 12.605 -7.961 1.00 0.00 H new ATOM 371 N ILE A 20 3.127 11.496 -5.371 1.00 0.00 N ATOM 372 CA ILE A 20 2.645 10.300 -4.671 1.00 0.00 C ATOM 373 C ILE A 20 2.216 10.642 -3.244 1.00 0.00 C ATOM 374 O ILE A 20 3.040 10.873 -2.354 1.00 0.00 O ATOM 375 CB ILE A 20 3.693 9.157 -4.662 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.891 8.585 -6.062 1.00 0.00 C ATOM 377 CG2 ILE A 20 3.301 8.033 -3.713 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.630 7.264 -6.042 1.00 0.00 C ATOM 0 H ILE A 20 4.064 11.406 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 20 1.778 9.939 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 20 4.628 9.595 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.920 8.449 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.446 9.300 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.063 7.254 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.216 8.425 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.343 7.614 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.747 6.897 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.613 7.404 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.063 6.539 -5.458 1.00 0.00 H new ATOM 390 N LYS A 21 0.911 10.689 -3.054 1.00 0.00 N ATOM 391 CA LYS A 21 0.311 11.016 -1.771 1.00 0.00 C ATOM 392 C LYS A 21 -0.301 9.760 -1.163 1.00 0.00 C ATOM 393 O LYS A 21 -0.609 8.812 -1.882 1.00 0.00 O ATOM 394 CB LYS A 21 -0.782 12.073 -1.973 1.00 0.00 C ATOM 395 CG LYS A 21 -1.162 12.840 -0.714 1.00 0.00 C ATOM 396 CD LYS A 21 -0.269 14.052 -0.516 1.00 0.00 C ATOM 397 CE LYS A 21 -0.788 14.951 0.589 1.00 0.00 C ATOM 398 NZ LYS A 21 0.006 16.201 0.701 1.00 0.00 N ATOM 0 H LYS A 21 0.231 10.500 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 21 1.075 11.408 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.447 12.784 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.673 11.585 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.202 13.159 -0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.084 12.183 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.742 13.724 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.208 14.616 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.832 15.199 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.758 14.415 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.515 16.893 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.919 15.993 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.171 16.594 -0.248 1.00 0.00 H new ATOM 412 N THR A 22 -0.496 9.748 0.143 1.00 0.00 N ATOM 413 CA THR A 22 -1.095 8.596 0.788 1.00 0.00 C ATOM 414 C THR A 22 -2.574 8.886 1.098 1.00 0.00 C ATOM 415 O THR A 22 -3.390 8.862 0.179 1.00 0.00 O ATOM 416 CB THR A 22 -0.279 8.177 2.044 1.00 0.00 C ATOM 417 OG1 THR A 22 -1.011 7.248 2.849 1.00 0.00 O ATOM 418 CG2 THR A 22 0.127 9.385 2.885 1.00 0.00 C ATOM 0 H THR A 22 -0.251 10.514 0.771 1.00 0.00 H new ATOM 0 HA THR A 22 -1.067 7.741 0.112 1.00 0.00 H new ATOM 0 HB THR A 22 0.629 7.693 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.475 7.000 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.695 9.050 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.742 10.056 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.766 9.913 3.218 1.00 0.00 H new ATOM 426 N SER A 23 -2.891 9.186 2.362 1.00 0.00 N ATOM 427 CA SER A 23 -4.253 9.517 2.826 1.00 0.00 C ATOM 428 C SER A 23 -5.375 8.902 1.965 1.00 0.00 C ATOM 429 O SER A 23 -5.711 7.727 2.115 1.00 0.00 O ATOM 430 CB SER A 23 -4.413 11.044 2.895 1.00 0.00 C ATOM 431 OG SER A 23 -5.631 11.409 3.525 1.00 0.00 O ATOM 0 H SER A 23 -2.198 9.207 3.110 1.00 0.00 H new ATOM 0 HA SER A 23 -4.362 9.074 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.575 11.475 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.383 11.460 1.888 1.00 0.00 H new ATOM 0 HG SER A 23 -6.252 11.765 2.856 1.00 0.00 H new ATOM 437 N TYR A 24 -5.946 9.725 1.087 1.00 0.00 N ATOM 438 CA TYR A 24 -7.043 9.325 0.200 1.00 0.00 C ATOM 439 C TYR A 24 -6.715 8.091 -0.643 1.00 0.00 C ATOM 440 O TYR A 24 -7.460 7.116 -0.647 1.00 0.00 O ATOM 441 CB TYR A 24 -7.381 10.474 -0.741 1.00 0.00 C ATOM 442 CG TYR A 24 -7.920 11.713 -0.060 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.097 12.522 0.710 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.253 12.081 -0.205 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.582 13.663 1.316 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.745 13.225 0.394 1.00 0.00 C ATOM 447 CZ TYR A 24 -8.905 14.010 1.156 1.00 0.00 C ATOM 448 OH TYR A 24 -9.387 15.155 1.753 1.00 0.00 O ATOM 0 H TYR A 24 -5.660 10.697 0.968 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.887 9.074 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.484 10.744 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.116 10.127 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.059 12.254 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.914 11.463 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.927 14.281 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.781 13.503 0.266 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.339 15.258 1.542 1.00 0.00 H new ATOM 458 N ILE A 25 -5.604 8.154 -1.368 1.00 0.00 N ATOM 459 CA ILE A 25 -5.164 7.061 -2.234 1.00 0.00 C ATOM 460 C ILE A 25 -5.039 5.761 -1.448 1.00 0.00 C ATOM 461 O ILE A 25 -5.500 4.698 -1.883 1.00 0.00 O ATOM 462 CB ILE A 25 -3.810 7.417 -2.887 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.987 8.634 -3.791 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.242 6.237 -3.667 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.692 9.163 -4.355 1.00 0.00 C ATOM 0 H ILE A 25 -4.982 8.962 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.912 6.919 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.094 7.656 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.651 8.371 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.478 9.427 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.289 6.521 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.090 5.394 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.940 5.951 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.897 10.027 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.033 9.459 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.209 8.386 -4.948 1.00 0.00 H new ATOM 477 N MET A 26 -4.440 5.875 -0.278 1.00 0.00 N ATOM 478 CA MET A 26 -4.250 4.749 0.622 1.00 0.00 C ATOM 479 C MET A 26 -5.581 4.273 1.191 1.00 0.00 C ATOM 480 O MET A 26 -5.730 3.104 1.521 1.00 0.00 O ATOM 481 CB MET A 26 -3.323 5.172 1.768 1.00 0.00 C ATOM 482 CG MET A 26 -3.280 4.196 2.935 1.00 0.00 C ATOM 483 SD MET A 26 -2.485 4.901 4.392 1.00 0.00 S ATOM 484 CE MET A 26 -2.737 3.586 5.583 1.00 0.00 C ATOM 0 H MET A 26 -4.069 6.756 0.079 1.00 0.00 H new ATOM 0 HA MET A 26 -3.804 3.926 0.063 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.313 5.295 1.376 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.643 6.147 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.296 3.893 3.189 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.745 3.296 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.085 3.743 6.442 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.776 3.587 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.503 2.627 5.121 1.00 0.00 H new ATOM 494 N ASP A 27 -6.550 5.177 1.289 1.00 0.00 N ATOM 495 CA ASP A 27 -7.865 4.832 1.829 1.00 0.00 C ATOM 496 C ASP A 27 -8.571 3.879 0.883 1.00 0.00 C ATOM 497 O ASP A 27 -9.279 2.961 1.298 1.00 0.00 O ATOM 498 CB ASP A 27 -8.686 6.116 2.038 1.00 0.00 C ATOM 499 CG ASP A 27 -9.978 5.915 2.812 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.313 4.768 3.155 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.669 6.918 3.085 1.00 0.00 O ATOM 0 H ASP A 27 -6.453 6.151 1.003 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.752 4.335 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.070 6.845 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.923 6.544 1.064 1.00 0.00 H new ATOM 506 N HIS A 28 -8.341 4.090 -0.391 1.00 0.00 N ATOM 507 CA HIS A 28 -8.925 3.253 -1.415 1.00 0.00 C ATOM 508 C HIS A 28 -8.191 1.925 -1.511 1.00 0.00 C ATOM 509 O HIS A 28 -8.781 0.910 -1.860 1.00 0.00 O ATOM 510 CB HIS A 28 -8.907 3.984 -2.751 1.00 0.00 C ATOM 511 CG HIS A 28 -9.657 5.279 -2.695 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.971 5.357 -2.294 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.266 6.550 -2.944 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.356 6.618 -2.295 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.341 7.359 -2.681 1.00 0.00 N ATOM 0 H HIS A 28 -7.749 4.840 -0.747 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.960 3.039 -1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.875 4.176 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.344 3.346 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.292 6.867 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.337 6.980 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.352 8.375 -2.771 1.00 0.00 H new ATOM 524 N MET A 29 -6.903 1.941 -1.188 1.00 0.00 N ATOM 525 CA MET A 29 -6.092 0.727 -1.230 1.00 0.00 C ATOM 526 C MET A 29 -6.434 -0.215 -0.068 1.00 0.00 C ATOM 527 O MET A 29 -6.452 -1.436 -0.234 1.00 0.00 O ATOM 528 CB MET A 29 -4.603 1.070 -1.214 1.00 0.00 C ATOM 529 CG MET A 29 -4.102 1.692 -2.506 1.00 0.00 C ATOM 530 SD MET A 29 -2.336 1.446 -2.761 1.00 0.00 S ATOM 531 CE MET A 29 -2.308 -0.294 -3.190 1.00 0.00 C ATOM 0 H MET A 29 -6.398 2.777 -0.895 1.00 0.00 H new ATOM 0 HA MET A 29 -6.322 0.210 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.407 1.758 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.033 0.163 -1.014 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.649 1.264 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.318 2.760 -2.497 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.332 -0.552 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.496 -0.892 -2.298 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.079 -0.498 -3.933 1.00 0.00 H new ATOM 541 N ILE A 30 -6.720 0.352 1.102 1.00 0.00 N ATOM 542 CA ILE A 30 -7.083 -0.449 2.267 1.00 0.00 C ATOM 543 C ILE A 30 -8.491 -0.999 2.071 1.00 0.00 C ATOM 544 O ILE A 30 -8.770 -2.165 2.363 1.00 0.00 O ATOM 545 CB ILE A 30 -7.081 0.371 3.571 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.834 1.251 3.695 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.181 -0.546 4.787 1.00 0.00 C ATOM 548 CD1 ILE A 30 -4.554 0.480 3.935 1.00 0.00 C ATOM 0 H ILE A 30 -6.707 1.358 1.267 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.341 -1.242 2.355 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.954 1.023 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.726 1.839 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.980 1.956 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.178 0.054 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.106 -1.120 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.331 -1.228 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.719 1.176 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.639 -0.087 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.381 -0.205 3.105 1.00 0.00 H new ATOM 560 N SER A 31 -9.370 -0.134 1.566 1.00 0.00 N ATOM 561 CA SER A 31 -10.755 -0.497 1.309 1.00 0.00 C ATOM 562 C SER A 31 -10.827 -1.514 0.176 1.00 0.00 C ATOM 563 O SER A 31 -11.737 -2.339 0.128 1.00 0.00 O ATOM 564 CB SER A 31 -11.582 0.747 0.963 1.00 0.00 C ATOM 565 OG SER A 31 -12.960 0.434 0.852 1.00 0.00 O ATOM 0 H SER A 31 -9.140 0.830 1.326 1.00 0.00 H new ATOM 0 HA SER A 31 -11.171 -0.945 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.440 1.506 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.227 1.173 0.025 1.00 0.00 H new ATOM 0 HG SER A 31 -13.463 1.246 0.632 1.00 0.00 H new ATOM 571 N ASP A 32 -9.837 -1.471 -0.713 1.00 0.00 N ATOM 572 CA ASP A 32 -9.769 -2.406 -1.822 1.00 0.00 C ATOM 573 C ASP A 32 -9.353 -3.763 -1.273 1.00 0.00 C ATOM 574 O ASP A 32 -9.629 -4.808 -1.862 1.00 0.00 O ATOM 575 CB ASP A 32 -8.764 -1.933 -2.878 1.00 0.00 C ATOM 576 CG ASP A 32 -9.050 -2.499 -4.258 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.115 -3.122 -4.445 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.218 -2.301 -5.172 1.00 0.00 O ATOM 0 H ASP A 32 -9.073 -0.796 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.745 -2.473 -2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.780 -0.844 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.759 -2.224 -2.572 1.00 0.00 H new ATOM 583 N GLY A 33 -8.689 -3.728 -0.115 1.00 0.00 N ATOM 584 CA GLY A 33 -8.255 -4.950 0.529 1.00 0.00 C ATOM 585 C GLY A 33 -6.868 -5.371 0.102 1.00 0.00 C ATOM 586 O GLY A 33 -6.390 -6.439 0.487 1.00 0.00 O ATOM 0 H GLY A 33 -8.447 -2.872 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.272 -4.812 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.960 -5.748 0.298 1.00 0.00 H new ATOM 590 N PHE A 34 -6.216 -4.530 -0.689 1.00 0.00 N ATOM 591 CA PHE A 34 -4.874 -4.831 -1.154 1.00 0.00 C ATOM 592 C PHE A 34 -3.867 -4.517 -0.067 1.00 0.00 C ATOM 593 O PHE A 34 -2.834 -5.172 0.054 1.00 0.00 O ATOM 594 CB PHE A 34 -4.560 -4.071 -2.433 1.00 0.00 C ATOM 595 CG PHE A 34 -5.216 -4.674 -3.635 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.592 -4.822 -3.695 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.457 -5.106 -4.701 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.195 -5.383 -4.799 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.052 -5.667 -5.811 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.424 -5.807 -5.859 1.00 0.00 C ATOM 0 H PHE A 34 -6.593 -3.641 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.812 -5.895 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.886 -3.036 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.481 -4.051 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.200 -4.493 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.382 -5.004 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.269 -5.490 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.445 -5.996 -6.642 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.893 -6.248 -6.726 1.00 0.00 H new ATOM 610 N LEU A 35 -4.201 -3.544 0.758 1.00 0.00 N ATOM 611 CA LEU A 35 -3.351 -3.200 1.874 1.00 0.00 C ATOM 612 C LEU A 35 -4.014 -3.724 3.132 1.00 0.00 C ATOM 613 O LEU A 35 -5.143 -3.348 3.451 1.00 0.00 O ATOM 614 CB LEU A 35 -3.101 -1.693 1.959 1.00 0.00 C ATOM 615 CG LEU A 35 -2.451 -1.075 0.727 1.00 0.00 C ATOM 616 CD1 LEU A 35 -2.118 0.385 0.987 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.208 -1.860 0.317 1.00 0.00 C ATOM 0 H LEU A 35 -5.049 -2.983 0.676 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.370 -3.656 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.052 -1.192 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.468 -1.494 2.823 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.158 -1.122 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.654 0.816 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.032 0.931 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.428 0.457 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.761 -1.400 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.487 -1.853 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.486 -2.889 0.088 1.00 0.00 H new ATOM 629 N THR A 36 -3.334 -4.625 3.816 1.00 0.00 N ATOM 630 CA THR A 36 -3.876 -5.236 5.016 1.00 0.00 C ATOM 631 C THR A 36 -3.662 -4.355 6.237 1.00 0.00 C ATOM 632 O THR A 36 -3.148 -3.244 6.124 1.00 0.00 O ATOM 633 CB THR A 36 -3.256 -6.621 5.249 1.00 0.00 C ATOM 634 OG1 THR A 36 -1.839 -6.558 5.058 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.851 -7.636 4.289 1.00 0.00 C ATOM 0 H THR A 36 -2.402 -4.951 3.560 1.00 0.00 H new ATOM 0 HA THR A 36 -4.950 -5.351 4.866 1.00 0.00 H new ATOM 0 HB THR A 36 -3.473 -6.931 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.389 -6.611 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.401 -8.613 4.467 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.928 -7.698 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.652 -7.327 3.263 1.00 0.00 H new ATOM 643 N ILE A 37 -4.052 -4.856 7.405 1.00 0.00 N ATOM 644 CA ILE A 37 -3.901 -4.111 8.646 1.00 0.00 C ATOM 645 C ILE A 37 -2.419 -3.857 8.929 1.00 0.00 C ATOM 646 O ILE A 37 -2.054 -2.817 9.472 1.00 0.00 O ATOM 647 CB ILE A 37 -4.560 -4.849 9.847 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.093 -4.871 9.708 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.174 -4.203 11.171 1.00 0.00 C ATOM 650 CD1 ILE A 37 -6.622 -5.841 8.671 1.00 0.00 C ATOM 0 H ILE A 37 -4.476 -5.777 7.516 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.414 -3.157 8.525 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.190 -5.874 9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.528 -5.122 10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.435 -3.868 9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.650 -4.741 11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.091 -4.241 11.292 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.504 -3.164 11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.710 -5.787 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.221 -5.581 7.691 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.315 -6.854 8.931 1.00 0.00 H new ATOM 662 N SER A 38 -1.571 -4.797 8.523 1.00 0.00 N ATOM 663 CA SER A 38 -0.128 -4.662 8.703 1.00 0.00 C ATOM 664 C SER A 38 0.432 -3.596 7.762 1.00 0.00 C ATOM 665 O SER A 38 1.334 -2.842 8.131 1.00 0.00 O ATOM 666 CB SER A 38 0.553 -6.011 8.468 1.00 0.00 C ATOM 667 OG SER A 38 -0.025 -6.683 7.363 1.00 0.00 O ATOM 0 H SER A 38 -1.858 -5.663 8.066 1.00 0.00 H new ATOM 0 HA SER A 38 0.074 -4.345 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.618 -5.859 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.464 -6.629 9.362 1.00 0.00 H new ATOM 0 HG SER A 38 0.427 -7.542 7.230 1.00 0.00 H new ATOM 673 N GLU A 39 -0.133 -3.513 6.564 1.00 0.00 N ATOM 674 CA GLU A 39 0.286 -2.510 5.597 1.00 0.00 C ATOM 675 C GLU A 39 -0.158 -1.135 6.090 1.00 0.00 C ATOM 676 O GLU A 39 0.629 -0.192 6.153 1.00 0.00 O ATOM 677 CB GLU A 39 -0.326 -2.797 4.223 1.00 0.00 C ATOM 678 CG GLU A 39 0.037 -4.159 3.649 1.00 0.00 C ATOM 679 CD GLU A 39 1.488 -4.264 3.220 1.00 0.00 C ATOM 680 OE1 GLU A 39 2.382 -4.172 4.084 1.00 0.00 O ATOM 681 OE2 GLU A 39 1.735 -4.457 2.009 1.00 0.00 O ATOM 0 H GLU A 39 -0.881 -4.127 6.241 1.00 0.00 H new ATOM 0 HA GLU A 39 1.371 -2.536 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.411 -2.725 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.003 -2.024 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.170 -4.926 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.604 -4.366 2.792 1.00 0.00 H new ATOM 688 N GLU A 40 -1.435 -1.060 6.466 1.00 0.00 N ATOM 689 CA GLU A 40 -2.051 0.158 6.988 1.00 0.00 C ATOM 690 C GLU A 40 -1.337 0.644 8.254 1.00 0.00 C ATOM 691 O GLU A 40 -1.175 1.850 8.475 1.00 0.00 O ATOM 692 CB GLU A 40 -3.523 -0.122 7.312 1.00 0.00 C ATOM 693 CG GLU A 40 -4.274 1.069 7.887 1.00 0.00 C ATOM 694 CD GLU A 40 -5.640 0.691 8.419 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.715 -0.161 9.325 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.644 1.250 7.942 1.00 0.00 O ATOM 0 H GLU A 40 -2.076 -1.852 6.416 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.970 0.937 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.027 -0.450 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.576 -0.948 8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.685 1.513 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.386 1.831 7.115 1.00 0.00 H new ATOM 703 N GLU A 41 -0.937 -0.313 9.084 1.00 0.00 N ATOM 704 CA GLU A 41 -0.264 -0.033 10.346 1.00 0.00 C ATOM 705 C GLU A 41 0.991 0.807 10.151 1.00 0.00 C ATOM 706 O GLU A 41 1.105 1.891 10.715 1.00 0.00 O ATOM 707 CB GLU A 41 0.099 -1.346 11.042 1.00 0.00 C ATOM 708 CG GLU A 41 0.757 -1.161 12.397 1.00 0.00 C ATOM 709 CD GLU A 41 1.280 -2.458 12.968 1.00 0.00 C ATOM 710 OE1 GLU A 41 2.184 -3.059 12.356 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.791 -2.885 14.032 1.00 0.00 O ATOM 0 H GLU A 41 -1.071 -1.307 8.900 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.953 0.540 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.805 -1.942 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.770 -1.914 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.579 -0.451 12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.037 -0.727 13.091 1.00 0.00 H new ATOM 718 N LYS A 42 1.937 0.292 9.383 1.00 0.00 N ATOM 719 CA LYS A 42 3.198 0.993 9.159 1.00 0.00 C ATOM 720 C LYS A 42 3.032 2.340 8.457 1.00 0.00 C ATOM 721 O LYS A 42 3.579 3.344 8.921 1.00 0.00 O ATOM 722 CB LYS A 42 4.173 0.112 8.380 1.00 0.00 C ATOM 723 CG LYS A 42 4.823 -0.965 9.231 1.00 0.00 C ATOM 724 CD LYS A 42 5.866 -1.744 8.445 1.00 0.00 C ATOM 725 CE LYS A 42 6.795 -2.517 9.369 1.00 0.00 C ATOM 726 NZ LYS A 42 7.549 -1.603 10.266 1.00 0.00 N ATOM 0 H LYS A 42 1.860 -0.605 8.904 1.00 0.00 H new ATOM 0 HA LYS A 42 3.603 1.206 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.644 -0.359 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.951 0.740 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.290 -0.508 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.059 -1.649 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.369 -2.436 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.449 -1.057 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.214 -3.219 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.494 -3.106 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.564 -1.825 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.394 -0.619 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.217 -1.725 11.244 1.00 0.00 H new ATOM 740 N VAL A 43 2.305 2.368 7.343 1.00 0.00 N ATOM 741 CA VAL A 43 2.111 3.614 6.597 1.00 0.00 C ATOM 742 C VAL A 43 1.578 4.723 7.499 1.00 0.00 C ATOM 743 O VAL A 43 2.060 5.853 7.459 1.00 0.00 O ATOM 744 CB VAL A 43 1.136 3.425 5.418 1.00 0.00 C ATOM 745 CG1 VAL A 43 0.998 4.711 4.624 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.596 2.301 4.514 1.00 0.00 C ATOM 0 H VAL A 43 1.844 1.553 6.938 1.00 0.00 H new ATOM 0 HA VAL A 43 3.090 3.898 6.210 1.00 0.00 H new ATOM 0 HB VAL A 43 0.161 3.162 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.305 4.555 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.617 5.500 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.972 5.003 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.893 2.186 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.584 2.534 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.643 1.372 5.083 1.00 0.00 H new ATOM 756 N ARG A 44 0.576 4.399 8.304 1.00 0.00 N ATOM 757 CA ARG A 44 -0.031 5.381 9.196 1.00 0.00 C ATOM 758 C ARG A 44 0.829 5.660 10.436 1.00 0.00 C ATOM 759 O ARG A 44 0.794 6.768 10.973 1.00 0.00 O ATOM 760 CB ARG A 44 -1.427 4.914 9.621 1.00 0.00 C ATOM 761 CG ARG A 44 -2.186 5.927 10.467 1.00 0.00 C ATOM 762 CD ARG A 44 -3.595 5.447 10.777 1.00 0.00 C ATOM 763 NE ARG A 44 -4.345 6.425 11.568 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.631 6.309 11.879 1.00 0.00 C ATOM 765 NH1 ARG A 44 -6.314 5.245 11.487 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.226 7.256 12.586 1.00 0.00 N ATOM 0 H ARG A 44 0.166 3.467 8.359 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.108 6.315 8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.012 4.690 8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.333 3.984 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.647 6.102 11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.232 6.881 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.125 5.251 9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.545 4.503 11.320 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.847 7.250 11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.853 4.514 10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.302 5.156 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.697 8.073 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.214 7.169 12.826 1.00 0.00 H new ATOM 780 N ASN A 45 1.580 4.658 10.902 1.00 0.00 N ATOM 781 CA ASN A 45 2.407 4.826 12.100 1.00 0.00 C ATOM 782 C ASN A 45 3.618 5.728 11.878 1.00 0.00 C ATOM 783 O ASN A 45 4.193 6.226 12.847 1.00 0.00 O ATOM 784 CB ASN A 45 2.865 3.481 12.650 1.00 0.00 C ATOM 785 CG ASN A 45 2.097 3.099 13.899 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.165 3.790 14.918 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.355 2.010 13.832 1.00 0.00 N ATOM 0 H ASN A 45 1.633 3.733 10.474 1.00 0.00 H new ATOM 0 HA ASN A 45 1.765 5.319 12.830 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.731 2.711 11.890 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.930 3.523 12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.811 1.713 14.642 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.325 1.465 12.970 1.00 0.00 H new ATOM 794 N GLU A 46 4.000 5.952 10.623 1.00 0.00 N ATOM 795 CA GLU A 46 5.141 6.822 10.326 1.00 0.00 C ATOM 796 C GLU A 46 4.860 8.240 10.859 1.00 0.00 C ATOM 797 O GLU A 46 3.700 8.627 11.018 1.00 0.00 O ATOM 798 CB GLU A 46 5.424 6.840 8.826 1.00 0.00 C ATOM 799 CG GLU A 46 5.746 5.464 8.242 1.00 0.00 C ATOM 800 CD GLU A 46 7.035 4.857 8.777 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.122 4.598 9.996 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.966 4.620 7.977 1.00 0.00 O ATOM 0 H GLU A 46 3.545 5.550 9.803 1.00 0.00 H new ATOM 0 HA GLU A 46 6.030 6.434 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.558 7.251 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.260 7.512 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.920 4.786 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.817 5.547 7.158 1.00 0.00 H new ATOM 809 N PRO A 47 5.910 9.021 11.186 1.00 0.00 N ATOM 810 CA PRO A 47 5.757 10.374 11.758 1.00 0.00 C ATOM 811 C PRO A 47 5.000 11.369 10.873 1.00 0.00 C ATOM 812 O PRO A 47 4.003 11.952 11.300 1.00 0.00 O ATOM 813 CB PRO A 47 7.203 10.845 11.966 1.00 0.00 C ATOM 814 CG PRO A 47 8.010 9.594 12.014 1.00 0.00 C ATOM 815 CD PRO A 47 7.332 8.644 11.072 1.00 0.00 C ATOM 0 HA PRO A 47 5.154 10.330 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.528 11.494 11.153 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.304 11.416 12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.040 9.780 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.044 9.187 13.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.699 8.757 10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.498 7.605 11.357 1.00 0.00 H new ATOM 823 N THR A 48 5.472 11.580 9.651 1.00 0.00 N ATOM 824 CA THR A 48 4.834 12.522 8.745 1.00 0.00 C ATOM 825 C THR A 48 4.742 11.903 7.366 1.00 0.00 C ATOM 826 O THR A 48 5.146 10.756 7.189 1.00 0.00 O ATOM 827 CB THR A 48 5.639 13.836 8.654 1.00 0.00 C ATOM 828 OG1 THR A 48 7.006 13.545 8.329 1.00 0.00 O ATOM 829 CG2 THR A 48 5.594 14.617 9.957 1.00 0.00 C ATOM 0 H THR A 48 6.293 11.112 9.266 1.00 0.00 H new ATOM 0 HA THR A 48 3.839 12.749 9.128 1.00 0.00 H new ATOM 0 HB THR A 48 5.185 14.447 7.874 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.513 14.381 8.270 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.173 15.535 9.851 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.560 14.865 10.197 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.017 14.012 10.759 1.00 0.00 H new ATOM 837 N GLN A 49 4.251 12.663 6.382 1.00 0.00 N ATOM 838 CA GLN A 49 4.148 12.175 5.014 1.00 0.00 C ATOM 839 C GLN A 49 5.518 11.734 4.520 1.00 0.00 C ATOM 840 O GLN A 49 5.619 10.918 3.611 1.00 0.00 O ATOM 841 CB GLN A 49 3.587 13.244 4.090 1.00 0.00 C ATOM 842 CG GLN A 49 3.397 12.756 2.666 1.00 0.00 C ATOM 843 CD GLN A 49 3.036 13.875 1.725 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.096 14.637 1.965 1.00 0.00 O ATOM 845 NE2 GLN A 49 3.779 13.980 0.646 1.00 0.00 N ATOM 0 H GLN A 49 3.920 13.619 6.513 1.00 0.00 H new ATOM 0 HA GLN A 49 3.465 11.326 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.630 13.589 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.258 14.103 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.314 12.276 2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.613 11.999 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.546 13.326 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.588 14.715 -0.035 1.00 0.00 H new ATOM 854 N GLN A 50 6.553 12.254 5.172 1.00 0.00 N ATOM 855 CA GLN A 50 7.933 11.908 4.880 1.00 0.00 C ATOM 856 C GLN A 50 8.060 10.399 4.724 1.00 0.00 C ATOM 857 O GLN A 50 8.248 9.884 3.623 1.00 0.00 O ATOM 858 CB GLN A 50 8.805 12.397 6.039 1.00 0.00 C ATOM 859 CG GLN A 50 10.234 11.890 6.028 1.00 0.00 C ATOM 860 CD GLN A 50 10.869 12.020 7.397 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.237 13.111 7.827 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.964 10.908 8.105 1.00 0.00 N ATOM 0 H GLN A 50 6.452 12.934 5.925 1.00 0.00 H new ATOM 0 HA GLN A 50 8.255 12.379 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.823 13.487 6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.337 12.098 6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.251 10.846 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.817 12.452 5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.646 10.023 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.355 10.935 9.047 1.00 0.00 H new ATOM 871 N GLN A 51 7.907 9.695 5.833 1.00 0.00 N ATOM 872 CA GLN A 51 7.967 8.250 5.817 1.00 0.00 C ATOM 873 C GLN A 51 6.578 7.660 5.614 1.00 0.00 C ATOM 874 O GLN A 51 6.444 6.475 5.380 1.00 0.00 O ATOM 875 CB GLN A 51 8.605 7.717 7.100 1.00 0.00 C ATOM 876 CG GLN A 51 10.099 7.976 7.184 1.00 0.00 C ATOM 877 CD GLN A 51 10.695 7.549 8.511 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.252 7.988 9.570 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.710 6.702 8.466 1.00 0.00 N ATOM 0 H GLN A 51 7.741 10.103 6.753 1.00 0.00 H new ATOM 0 HA GLN A 51 8.593 7.943 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.115 8.177 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.426 6.644 7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.602 7.443 6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.288 9.038 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.049 6.360 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.153 6.391 9.330 1.00 0.00 H new ATOM 888 N ARG A 52 5.544 8.496 5.682 1.00 0.00 N ATOM 889 CA ARG A 52 4.167 8.032 5.478 1.00 0.00 C ATOM 890 C ARG A 52 3.971 7.699 4.005 1.00 0.00 C ATOM 891 O ARG A 52 3.655 6.564 3.642 1.00 0.00 O ATOM 892 CB ARG A 52 3.163 9.100 5.910 1.00 0.00 C ATOM 893 CG ARG A 52 1.760 8.577 6.108 1.00 0.00 C ATOM 894 CD ARG A 52 1.309 8.750 7.554 1.00 0.00 C ATOM 895 NE ARG A 52 1.127 10.151 7.918 1.00 0.00 N ATOM 896 CZ ARG A 52 0.864 10.570 9.154 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.827 9.710 10.160 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.655 11.849 9.385 1.00 0.00 N ATOM 0 H ARG A 52 5.629 9.494 5.876 1.00 0.00 H new ATOM 0 HA ARG A 52 3.997 7.144 6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.506 9.552 6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.143 9.891 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.075 9.105 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.720 7.523 5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.372 8.214 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.046 8.298 8.218 1.00 0.00 H new ATOM 0 HE ARG A 52 1.206 10.852 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.001 8.719 9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.625 10.038 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.695 12.519 8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.453 12.170 10.332 1.00 0.00 H new ATOM 912 N ALA A 53 4.215 8.691 3.156 1.00 0.00 N ATOM 913 CA ALA A 53 4.128 8.505 1.714 1.00 0.00 C ATOM 914 C ALA A 53 5.230 7.564 1.290 1.00 0.00 C ATOM 915 O ALA A 53 5.000 6.664 0.492 1.00 0.00 O ATOM 916 CB ALA A 53 4.244 9.833 0.980 1.00 0.00 C ATOM 0 H ALA A 53 4.475 9.634 3.443 1.00 0.00 H new ATOM 0 HA ALA A 53 3.156 8.082 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.176 9.662 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.437 10.494 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.203 10.295 1.213 1.00 0.00 H new ATOM 922 N ALA A 54 6.424 7.756 1.856 1.00 0.00 N ATOM 923 CA ALA A 54 7.543 6.888 1.533 1.00 0.00 C ATOM 924 C ALA A 54 7.227 5.437 1.879 1.00 0.00 C ATOM 925 O ALA A 54 7.654 4.532 1.173 1.00 0.00 O ATOM 926 CB ALA A 54 8.810 7.326 2.245 1.00 0.00 C ATOM 0 H ALA A 54 6.633 8.494 2.529 1.00 0.00 H new ATOM 0 HA ALA A 54 7.710 6.965 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.627 6.654 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.064 8.342 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.650 7.296 3.323 1.00 0.00 H new ATOM 932 N MET A 55 6.461 5.211 2.950 1.00 0.00 N ATOM 933 CA MET A 55 6.088 3.867 3.344 1.00 0.00 C ATOM 934 C MET A 55 5.141 3.278 2.310 1.00 0.00 C ATOM 935 O MET A 55 5.268 2.117 1.933 1.00 0.00 O ATOM 936 CB MET A 55 5.432 3.873 4.729 1.00 0.00 C ATOM 937 CG MET A 55 4.978 2.496 5.180 1.00 0.00 C ATOM 938 SD MET A 55 6.317 1.292 5.206 1.00 0.00 S ATOM 939 CE MET A 55 5.397 -0.240 5.082 1.00 0.00 C ATOM 0 H MET A 55 6.092 5.946 3.553 1.00 0.00 H new ATOM 0 HA MET A 55 6.986 3.251 3.398 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.138 4.273 5.457 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.574 4.545 4.715 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.543 2.570 6.177 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.191 2.142 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.789 -0.959 5.802 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.345 -0.051 5.294 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.497 -0.644 4.075 1.00 0.00 H new ATOM 949 N LEU A 56 4.218 4.107 1.833 1.00 0.00 N ATOM 950 CA LEU A 56 3.264 3.691 0.810 1.00 0.00 C ATOM 951 C LEU A 56 4.037 3.249 -0.433 1.00 0.00 C ATOM 952 O LEU A 56 3.853 2.139 -0.942 1.00 0.00 O ATOM 953 CB LEU A 56 2.323 4.854 0.464 1.00 0.00 C ATOM 954 CG LEU A 56 1.024 4.465 -0.234 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.061 3.823 0.753 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.397 5.682 -0.884 1.00 0.00 C ATOM 0 H LEU A 56 4.110 5.074 2.139 1.00 0.00 H new ATOM 0 HA LEU A 56 2.662 2.861 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.076 5.384 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.861 5.556 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 56 1.248 3.735 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.861 3.552 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.517 2.928 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.164 4.529 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.530 5.393 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.183 6.432 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.087 6.098 -1.619 1.00 0.00 H new ATOM 968 N ILE A 57 4.932 4.125 -0.882 1.00 0.00 N ATOM 969 CA ILE A 57 5.779 3.853 -2.044 1.00 0.00 C ATOM 970 C ILE A 57 6.699 2.654 -1.769 1.00 0.00 C ATOM 971 O ILE A 57 7.007 1.882 -2.673 1.00 0.00 O ATOM 972 CB ILE A 57 6.643 5.090 -2.408 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.839 6.374 -2.248 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.147 4.988 -3.838 1.00 0.00 C ATOM 975 CD1 ILE A 57 6.661 7.630 -2.453 1.00 0.00 C ATOM 0 H ILE A 57 5.091 5.038 -0.455 1.00 0.00 H new ATOM 0 HA ILE A 57 5.123 3.623 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 57 7.494 5.114 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.014 6.368 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.399 6.396 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.751 5.864 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.754 4.089 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.298 4.937 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.025 8.506 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.470 7.658 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.080 7.630 -3.459 1.00 0.00 H new ATOM 987 N LYS A 58 7.128 2.504 -0.512 1.00 0.00 N ATOM 988 CA LYS A 58 8.007 1.400 -0.117 1.00 0.00 C ATOM 989 C LYS A 58 7.266 0.057 -0.157 1.00 0.00 C ATOM 990 O LYS A 58 7.861 -0.968 -0.489 1.00 0.00 O ATOM 991 CB LYS A 58 8.613 1.655 1.275 1.00 0.00 C ATOM 992 CG LYS A 58 9.491 0.519 1.782 1.00 0.00 C ATOM 993 CD LYS A 58 10.316 0.913 3.002 1.00 0.00 C ATOM 994 CE LYS A 58 9.447 1.166 4.229 1.00 0.00 C ATOM 995 NZ LYS A 58 10.268 1.328 5.460 1.00 0.00 N ATOM 0 H LYS A 58 6.880 3.135 0.250 1.00 0.00 H new ATOM 0 HA LYS A 58 8.823 1.348 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.204 2.571 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.805 1.823 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.863 -0.336 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.160 0.199 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.033 0.123 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.891 1.811 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.846 2.062 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.753 0.336 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.643 1.498 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.822 0.463 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.913 2.136 5.343 1.00 0.00 H new ATOM 1009 N MET A 59 5.967 0.060 0.155 1.00 0.00 N ATOM 1010 CA MET A 59 5.182 -1.179 0.104 1.00 0.00 C ATOM 1011 C MET A 59 5.174 -1.691 -1.320 1.00 0.00 C ATOM 1012 O MET A 59 5.425 -2.865 -1.584 1.00 0.00 O ATOM 1013 CB MET A 59 3.719 -0.970 0.502 1.00 0.00 C ATOM 1014 CG MET A 59 3.486 -0.280 1.825 1.00 0.00 C ATOM 1015 SD MET A 59 1.727 -0.037 2.128 1.00 0.00 S ATOM 1016 CE MET A 59 1.200 0.568 0.520 1.00 0.00 C ATOM 0 H MET A 59 5.444 0.888 0.440 1.00 0.00 H new ATOM 0 HA MET A 59 5.644 -1.875 0.804 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.230 -0.389 -0.280 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.228 -1.943 0.530 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.918 -0.874 2.630 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.996 0.683 1.831 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.297 1.168 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.990 1.180 0.085 1.00 0.00 H new ATOM 0 HE3 MET A 59 0.993 -0.277 -0.137 1.00 0.00 H new ATOM 1026 N ILE A 60 4.862 -0.777 -2.228 1.00 0.00 N ATOM 1027 CA ILE A 60 4.786 -1.068 -3.651 1.00 0.00 C ATOM 1028 C ILE A 60 6.146 -1.475 -4.209 1.00 0.00 C ATOM 1029 O ILE A 60 6.236 -2.265 -5.147 1.00 0.00 O ATOM 1030 CB ILE A 60 4.261 0.165 -4.401 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.980 0.654 -3.737 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.992 -0.163 -5.862 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.715 2.115 -3.959 1.00 0.00 C ATOM 0 H ILE A 60 4.653 0.194 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 60 4.102 -1.905 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 60 5.019 0.947 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.138 0.077 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.038 0.461 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.621 0.726 -6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.916 -0.495 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.246 -0.956 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.788 2.397 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.539 2.700 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.625 2.310 -5.028 1.00 0.00 H new ATOM 1045 N LEU A 61 7.205 -0.953 -3.615 1.00 0.00 N ATOM 1046 CA LEU A 61 8.552 -1.287 -4.046 1.00 0.00 C ATOM 1047 C LEU A 61 8.801 -2.788 -3.873 1.00 0.00 C ATOM 1048 O LEU A 61 9.671 -3.367 -4.526 1.00 0.00 O ATOM 1049 CB LEU A 61 9.574 -0.467 -3.244 1.00 0.00 C ATOM 1050 CG LEU A 61 11.033 -0.569 -3.706 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.752 0.744 -3.459 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.767 -1.682 -2.978 1.00 0.00 C ATOM 0 H LEU A 61 7.159 -0.298 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 61 8.664 -1.041 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.276 0.581 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.522 -0.779 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 61 11.026 -0.794 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.787 0.660 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.256 1.540 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.730 0.976 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.798 -1.728 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.756 -1.484 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.274 -2.634 -3.176 1.00 0.00 H new ATOM 1064 N LYS A 62 8.022 -3.416 -2.994 1.00 0.00 N ATOM 1065 CA LYS A 62 8.165 -4.846 -2.741 1.00 0.00 C ATOM 1066 C LYS A 62 6.804 -5.553 -2.628 1.00 0.00 C ATOM 1067 O LYS A 62 6.626 -6.420 -1.773 1.00 0.00 O ATOM 1068 CB LYS A 62 8.992 -5.067 -1.465 1.00 0.00 C ATOM 1069 CG LYS A 62 10.075 -6.148 -1.572 1.00 0.00 C ATOM 1070 CD LYS A 62 9.532 -7.544 -1.282 1.00 0.00 C ATOM 1071 CE LYS A 62 8.913 -8.186 -2.513 1.00 0.00 C ATOM 1072 NZ LYS A 62 8.048 -9.340 -2.149 1.00 0.00 N ATOM 0 H LYS A 62 7.290 -2.960 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 62 8.684 -5.285 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.466 -4.125 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.315 -5.332 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.506 -6.129 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.881 -5.922 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.339 -8.176 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.785 -7.484 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.324 -7.445 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.702 -8.520 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.642 -9.755 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.616 -10.057 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.281 -9.016 -1.526 1.00 0.00 H new ATOM 1086 N LYS A 63 5.844 -5.212 -3.489 1.00 0.00 N ATOM 1087 CA LYS A 63 4.551 -5.883 -3.442 1.00 0.00 C ATOM 1088 C LYS A 63 4.282 -6.604 -4.774 1.00 0.00 C ATOM 1089 O LYS A 63 5.206 -7.140 -5.388 1.00 0.00 O ATOM 1090 CB LYS A 63 3.432 -4.900 -3.086 1.00 0.00 C ATOM 1091 CG LYS A 63 2.283 -5.560 -2.330 1.00 0.00 C ATOM 1092 CD LYS A 63 1.338 -4.536 -1.716 1.00 0.00 C ATOM 1093 CE LYS A 63 0.160 -5.201 -1.005 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.580 -5.972 0.198 1.00 0.00 N ATOM 0 H LYS A 63 5.935 -4.494 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 63 4.573 -6.634 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.843 -4.093 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.047 -4.448 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.726 -6.205 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.686 -6.198 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.886 -3.915 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.964 -3.874 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.560 -4.437 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.350 -5.868 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.263 -6.303 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.151 -6.790 -0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.146 -5.361 0.822 1.00 0.00 H new ATOM 1108 N ASP A 64 3.026 -6.643 -5.205 1.00 0.00 N ATOM 1109 CA ASP A 64 2.648 -7.330 -6.444 1.00 0.00 C ATOM 1110 C ASP A 64 2.137 -6.346 -7.475 1.00 0.00 C ATOM 1111 O ASP A 64 1.640 -5.275 -7.125 1.00 0.00 O ATOM 1112 CB ASP A 64 1.541 -8.360 -6.178 1.00 0.00 C ATOM 1113 CG ASP A 64 1.808 -9.258 -4.984 1.00 0.00 C ATOM 1114 OD1 ASP A 64 1.916 -8.737 -3.853 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.876 -10.485 -5.168 1.00 0.00 O ATOM 0 H ASP A 64 2.246 -6.206 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 64 3.541 -7.829 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.599 -7.834 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.415 -8.980 -7.065 1.00 0.00 H new ATOM 1120 N ASN A 65 2.236 -6.725 -8.746 1.00 0.00 N ATOM 1121 CA ASN A 65 1.763 -5.878 -9.831 1.00 0.00 C ATOM 1122 C ASN A 65 0.269 -5.630 -9.705 1.00 0.00 C ATOM 1123 O ASN A 65 -0.215 -4.574 -10.087 1.00 0.00 O ATOM 1124 CB ASN A 65 2.102 -6.479 -11.209 1.00 0.00 C ATOM 1125 CG ASN A 65 1.680 -7.931 -11.366 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.547 -8.301 -11.073 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.585 -8.764 -11.854 1.00 0.00 N ATOM 0 H ASN A 65 2.639 -7.612 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 65 2.281 -4.922 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.618 -5.884 -11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.177 -6.403 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.350 -9.746 -11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.518 -8.424 -12.087 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.451 -6.595 -9.146 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.888 -6.452 -8.961 1.00 0.00 C ATOM 1136 C ASP A 66 -2.171 -5.312 -7.986 1.00 0.00 C ATOM 1137 O ASP A 66 -3.044 -4.478 -8.227 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.502 -7.758 -8.462 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.953 -7.888 -8.868 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.783 -7.083 -8.410 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.267 -8.790 -9.670 1.00 0.00 O ATOM 0 H ASP A 66 -0.066 -7.479 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.346 -6.215 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.936 -8.601 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.423 -7.805 -7.376 1.00 0.00 H new ATOM 1146 N SER A 67 -1.393 -5.245 -6.907 1.00 0.00 N ATOM 1147 CA SER A 67 -1.545 -4.171 -5.934 1.00 0.00 C ATOM 1148 C SER A 67 -1.086 -2.876 -6.543 1.00 0.00 C ATOM 1149 O SER A 67 -1.562 -1.806 -6.194 1.00 0.00 O ATOM 1150 CB SER A 67 -0.709 -4.419 -4.697 1.00 0.00 C ATOM 1151 OG SER A 67 -0.420 -5.799 -4.530 1.00 0.00 O ATOM 0 H SER A 67 -0.658 -5.917 -6.688 1.00 0.00 H new ATOM 0 HA SER A 67 -2.598 -4.128 -5.654 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.223 -3.858 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.238 -4.049 -3.819 1.00 0.00 H new ATOM 0 HG SER A 67 -0.913 -6.145 -3.757 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.147 -2.987 -7.458 1.00 0.00 N ATOM 1158 CA TYR A 68 0.378 -1.830 -8.131 1.00 0.00 C ATOM 1159 C TYR A 68 -0.698 -1.250 -9.028 1.00 0.00 C ATOM 1160 O TYR A 68 -0.888 -0.042 -9.067 1.00 0.00 O ATOM 1161 CB TYR A 68 1.615 -2.213 -8.923 1.00 0.00 C ATOM 1162 CG TYR A 68 2.197 -1.089 -9.733 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.273 0.203 -9.231 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.678 -1.330 -11.003 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.810 1.223 -9.985 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.216 -0.318 -11.757 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.282 0.951 -11.248 1.00 0.00 C ATOM 1168 OH TYR A 68 3.826 1.948 -12.007 1.00 0.00 O ATOM 0 H TYR A 68 0.266 -3.873 -7.750 1.00 0.00 H new ATOM 0 HA TYR A 68 0.670 -1.071 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.375 -2.581 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.365 -3.037 -9.592 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.906 0.411 -8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.630 -2.329 -11.410 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.860 2.226 -9.588 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.587 -0.522 -12.751 1.00 0.00 H new ATOM 0 HH TYR A 68 4.673 1.641 -12.392 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.439 -2.122 -9.706 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.533 -1.665 -10.549 1.00 0.00 C ATOM 1180 C VAL A 69 -3.625 -1.090 -9.644 1.00 0.00 C ATOM 1181 O VAL A 69 -4.346 -0.173 -10.026 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.113 -2.777 -11.456 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.088 -2.186 -12.459 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.006 -3.512 -12.193 1.00 0.00 C ATOM 0 H VAL A 69 -1.303 -3.133 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.144 -0.905 -11.226 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.639 -3.488 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.487 -2.980 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.906 -1.699 -11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.572 -1.454 -13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.441 -4.288 -12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.453 -2.808 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.329 -3.968 -11.471 1.00 0.00 H new ATOM 1194 N SER A 70 -3.692 -1.603 -8.410 1.00 0.00 N ATOM 1195 CA SER A 70 -4.641 -1.098 -7.423 1.00 0.00 C ATOM 1196 C SER A 70 -4.184 0.295 -6.999 1.00 0.00 C ATOM 1197 O SER A 70 -4.956 1.246 -7.056 1.00 0.00 O ATOM 1198 CB SER A 70 -4.732 -2.031 -6.210 1.00 0.00 C ATOM 1199 OG SER A 70 -5.645 -1.534 -5.242 1.00 0.00 O ATOM 0 H SER A 70 -3.101 -2.364 -8.076 1.00 0.00 H new ATOM 0 HA SER A 70 -5.637 -1.051 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.047 -3.023 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.746 -2.142 -5.759 1.00 0.00 H new ATOM 0 HG SER A 70 -6.490 -2.026 -5.306 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.901 0.414 -6.625 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.319 1.713 -6.257 1.00 0.00 C ATOM 1207 C PHE A 71 -2.519 2.696 -7.422 1.00 0.00 C ATOM 1208 O PHE A 71 -2.891 3.854 -7.225 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.828 1.536 -5.913 1.00 0.00 C ATOM 1210 CG PHE A 71 0.016 2.785 -5.997 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.204 3.865 -5.153 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.062 2.857 -6.906 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.601 4.994 -5.222 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.873 3.973 -6.975 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.645 5.042 -6.134 1.00 0.00 C ATOM 0 H PHE A 71 -2.250 -0.369 -6.570 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.816 2.117 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.752 1.136 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.405 0.788 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.010 3.827 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.245 2.026 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.415 5.833 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.685 4.008 -7.687 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.278 5.915 -6.185 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.325 2.183 -8.635 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.524 2.939 -9.874 1.00 0.00 C ATOM 1227 C TYR A 72 -3.964 3.442 -9.937 1.00 0.00 C ATOM 1228 O TYR A 72 -4.225 4.622 -10.160 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.229 2.005 -11.055 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.796 2.439 -12.394 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.263 3.510 -13.098 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -3.868 1.756 -12.956 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.782 3.886 -14.325 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.390 2.124 -14.179 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.847 3.192 -14.859 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.363 3.561 -16.082 1.00 0.00 O ATOM 0 H TYR A 72 -2.022 1.221 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.858 3.801 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.148 1.905 -11.154 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.621 1.016 -10.819 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.431 4.058 -12.682 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.301 0.921 -12.425 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.354 4.720 -14.862 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.220 1.577 -14.601 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.109 2.969 -16.314 1.00 0.00 H new ATOM 1246 N ASN A 73 -4.880 2.516 -9.713 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.314 2.794 -9.716 1.00 0.00 C ATOM 1248 C ASN A 73 -6.699 3.763 -8.595 1.00 0.00 C ATOM 1249 O ASN A 73 -7.642 4.543 -8.730 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.076 1.475 -9.562 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.576 1.650 -9.539 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.170 2.222 -10.453 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.205 1.139 -8.494 1.00 0.00 N ATOM 0 H ASN A 73 -4.652 1.540 -9.522 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.577 3.268 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.807 0.810 -10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.760 0.987 -8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.220 1.211 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.675 0.673 -7.758 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.957 3.718 -7.493 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.210 4.600 -6.359 1.00 0.00 C ATOM 1262 C ALA A 74 -5.852 6.032 -6.726 1.00 0.00 C ATOM 1263 O ALA A 74 -6.535 6.978 -6.332 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.423 4.145 -5.143 1.00 0.00 C ATOM 0 H ALA A 74 -5.174 3.078 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.270 4.558 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.625 4.815 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.721 3.131 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.357 4.161 -5.372 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.798 6.175 -7.527 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.359 7.477 -8.005 1.00 0.00 C ATOM 1272 C LEU A 75 -5.440 8.048 -8.915 1.00 0.00 C ATOM 1273 O LEU A 75 -5.614 9.263 -9.021 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.032 7.347 -8.766 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.852 6.808 -7.945 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.786 6.228 -8.854 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.244 7.905 -7.091 1.00 0.00 C ATOM 0 H LEU A 75 -4.230 5.395 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.197 8.146 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.187 6.691 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.761 8.327 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.233 6.021 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.041 5.852 -8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.211 5.411 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.421 7.003 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.410 7.500 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.886 8.710 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.999 8.294 -6.407 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.186 7.143 -9.546 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.279 7.520 -10.429 1.00 0.00 C ATOM 1291 C LEU A 76 -8.553 7.793 -9.637 1.00 0.00 C ATOM 1292 O LEU A 76 -9.502 8.370 -10.164 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.544 6.434 -11.473 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.804 6.606 -12.802 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.303 6.498 -12.611 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.259 5.570 -13.805 1.00 0.00 C ATOM 0 H LEU A 76 -6.048 6.136 -9.458 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.981 8.434 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.270 5.469 -11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.615 6.401 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.039 7.601 -13.181 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.804 6.624 -13.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.967 7.274 -11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.058 5.518 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.721 5.710 -14.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.056 4.573 -13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.329 5.680 -13.981 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.576 7.402 -8.366 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.749 7.662 -7.541 1.00 0.00 C ATOM 1310 C HIS A 77 -9.698 9.106 -7.094 1.00 0.00 C ATOM 1311 O HIS A 77 -10.723 9.762 -6.920 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.830 6.746 -6.309 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.249 6.467 -5.894 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.138 7.449 -5.498 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.940 5.301 -5.838 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.306 6.896 -5.220 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.211 5.598 -5.419 1.00 0.00 N ATOM 0 H HIS A 77 -7.814 6.915 -7.894 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.636 7.458 -8.140 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.326 5.804 -6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.296 7.209 -5.479 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.926 8.444 -5.431 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.559 4.320 -6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.189 7.420 -4.886 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.475 9.592 -6.933 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.244 10.966 -6.526 1.00 0.00 C ATOM 1328 C GLU A 78 -7.740 11.787 -7.716 1.00 0.00 C ATOM 1329 O GLU A 78 -8.079 11.490 -8.865 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.256 11.019 -5.354 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.718 10.242 -4.132 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.099 10.646 -3.658 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.329 11.849 -3.430 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.956 9.754 -3.500 1.00 0.00 O ATOM 0 H GLU A 78 -7.624 9.049 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.185 11.400 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.294 10.625 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.095 12.060 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.717 9.177 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.004 10.392 -3.322 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.951 12.818 -7.454 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.459 13.651 -8.536 1.00 0.00 C ATOM 1343 C GLY A 79 -4.996 13.425 -8.892 1.00 0.00 C ATOM 1344 O GLY A 79 -4.261 14.382 -9.125 1.00 0.00 O ATOM 0 H GLY A 79 -6.644 13.093 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.067 13.470 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.596 14.697 -8.263 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.574 12.165 -8.956 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.194 11.841 -9.310 1.00 0.00 C ATOM 1350 C TYR A 80 -3.185 10.862 -10.483 1.00 0.00 C ATOM 1351 O TYR A 80 -2.381 9.925 -10.548 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.433 11.267 -8.105 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.523 12.124 -6.856 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -3.643 12.082 -6.032 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.494 12.991 -6.516 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -3.733 12.877 -4.908 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.576 13.787 -5.390 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.695 13.728 -4.592 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.782 14.525 -3.475 1.00 0.00 O ATOM 0 H TYR A 80 -5.164 11.355 -8.768 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.682 12.756 -9.609 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.823 10.274 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.384 11.145 -8.375 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.457 11.415 -6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.615 13.044 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.610 12.833 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.765 14.453 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.968 15.064 -3.394 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.107 11.098 -11.405 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.259 10.273 -12.593 1.00 0.00 C ATOM 1371 C LYS A 81 -3.115 10.498 -13.576 1.00 0.00 C ATOM 1372 O LYS A 81 -2.896 9.692 -14.475 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.599 10.590 -13.264 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.787 10.455 -12.325 1.00 0.00 C ATOM 1375 CD LYS A 81 -8.074 10.962 -12.961 1.00 0.00 C ATOM 1376 CE LYS A 81 -9.244 10.865 -11.993 1.00 0.00 C ATOM 1377 NZ LYS A 81 -10.519 11.343 -12.593 1.00 0.00 N ATOM 0 H LYS A 81 -4.772 11.869 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.236 9.226 -12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.569 11.606 -13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.739 9.923 -14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.909 9.409 -12.042 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.591 11.012 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.944 11.998 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.292 10.382 -13.858 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.362 9.830 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.023 11.451 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.285 11.257 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.418 12.339 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.746 10.768 -13.429 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.387 11.595 -13.405 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.270 11.913 -14.291 1.00 0.00 C ATOM 1393 C ASP A 82 -0.049 11.082 -13.937 1.00 0.00 C ATOM 1394 O ASP A 82 0.605 10.523 -14.818 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.936 13.409 -14.248 1.00 0.00 C ATOM 1396 CG ASP A 82 -2.034 14.286 -14.832 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -3.101 13.753 -15.211 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.836 15.515 -14.914 1.00 0.00 O ATOM 0 H ASP A 82 -2.548 12.278 -12.665 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.572 11.666 -15.309 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.755 13.705 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.010 13.584 -14.796 1.00 0.00 H new ATOM 1403 N LEU A 83 0.247 10.973 -12.646 1.00 0.00 N ATOM 1404 CA LEU A 83 1.377 10.171 -12.196 1.00 0.00 C ATOM 1405 C LEU A 83 1.118 8.727 -12.583 1.00 0.00 C ATOM 1406 O LEU A 83 1.973 8.060 -13.154 1.00 0.00 O ATOM 1407 CB LEU A 83 1.549 10.286 -10.676 1.00 0.00 C ATOM 1408 CG LEU A 83 2.980 10.141 -10.128 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.587 8.776 -10.430 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.868 11.236 -10.681 1.00 0.00 C ATOM 0 H LEU A 83 -0.277 11.427 -11.898 1.00 0.00 H new ATOM 0 HA LEU A 83 2.293 10.529 -12.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.161 11.255 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.926 9.526 -10.205 1.00 0.00 H new ATOM 0 HG LEU A 83 2.915 10.233 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.596 8.728 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.974 7.997 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.625 8.625 -11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.877 11.121 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.895 11.168 -11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.472 12.208 -10.388 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.087 8.262 -12.292 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.483 6.899 -12.629 1.00 0.00 C ATOM 1424 C ALA A 84 -0.439 6.668 -14.139 1.00 0.00 C ATOM 1425 O ALA A 84 -0.077 5.584 -14.590 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.868 6.612 -12.088 1.00 0.00 C ATOM 0 H ALA A 84 -0.810 8.807 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 84 0.227 6.213 -12.167 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.155 5.592 -12.345 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.866 6.727 -11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.581 7.310 -12.525 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.777 7.692 -14.924 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.730 7.577 -16.381 1.00 0.00 C ATOM 1434 C ALA A 85 0.711 7.376 -16.816 1.00 0.00 C ATOM 1435 O ALA A 85 0.998 6.635 -17.758 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.332 8.804 -17.049 1.00 0.00 C ATOM 0 H ALA A 85 -1.083 8.602 -14.579 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.325 6.718 -16.690 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.283 8.690 -18.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.372 8.912 -16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.773 9.691 -16.752 1.00 0.00 H new ATOM 1442 N LEU A 86 1.621 8.004 -16.081 1.00 0.00 N ATOM 1443 CA LEU A 86 3.046 7.862 -16.335 1.00 0.00 C ATOM 1444 C LEU A 86 3.470 6.411 -16.101 1.00 0.00 C ATOM 1445 O LEU A 86 4.451 5.934 -16.666 1.00 0.00 O ATOM 1446 CB LEU A 86 3.839 8.766 -15.391 1.00 0.00 C ATOM 1447 CG LEU A 86 3.879 10.243 -15.766 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.295 11.090 -14.572 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.850 10.440 -16.907 1.00 0.00 C ATOM 0 H LEU A 86 1.393 8.620 -15.300 1.00 0.00 H new ATOM 0 HA LEU A 86 3.247 8.146 -17.368 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.416 8.676 -14.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.863 8.396 -15.338 1.00 0.00 H new ATOM 0 HG LEU A 86 2.882 10.559 -16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.317 12.141 -14.861 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.580 10.952 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.286 10.785 -14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.882 11.495 -17.179 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.844 10.114 -16.600 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.525 9.853 -17.766 1.00 0.00 H new ATOM 1461 N LEU A 87 2.724 5.732 -15.239 1.00 0.00 N ATOM 1462 CA LEU A 87 3.012 4.352 -14.886 1.00 0.00 C ATOM 1463 C LEU A 87 2.187 3.375 -15.709 1.00 0.00 C ATOM 1464 O LEU A 87 2.481 2.180 -15.737 1.00 0.00 O ATOM 1465 CB LEU A 87 2.718 4.105 -13.417 1.00 0.00 C ATOM 1466 CG LEU A 87 2.865 5.307 -12.480 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.607 4.883 -11.048 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.249 5.924 -12.610 1.00 0.00 C ATOM 0 H LEU A 87 1.907 6.122 -14.768 1.00 0.00 H new ATOM 0 HA LEU A 87 4.069 4.189 -15.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.699 3.728 -13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.381 3.314 -13.065 1.00 0.00 H new ATOM 0 HG LEU A 87 2.129 6.060 -12.763 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.714 5.744 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.596 4.484 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.325 4.115 -10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.332 6.776 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.004 5.182 -12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.404 6.257 -13.636 1.00 0.00 H new ATOM 1480 N HIS A 88 1.158 3.888 -16.387 1.00 0.00 N ATOM 1481 CA HIS A 88 0.287 3.056 -17.222 1.00 0.00 C ATOM 1482 C HIS A 88 1.121 2.391 -18.304 1.00 0.00 C ATOM 1483 O HIS A 88 0.734 1.375 -18.877 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.820 3.885 -17.872 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.928 3.055 -18.452 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.687 3.448 -19.534 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.406 1.841 -18.087 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.584 2.518 -19.800 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.434 1.534 -18.940 1.00 0.00 N ATOM 0 H HIS A 88 0.907 4.877 -16.374 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.181 2.304 -16.587 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.237 4.565 -17.130 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.387 4.500 -18.661 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.044 1.229 -17.274 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.318 2.558 -20.591 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.992 0.681 -18.912 1.00 0.00 H new ATOM 1498 N ASP A 89 2.283 2.982 -18.530 1.00 0.00 N ATOM 1499 CA ASP A 89 3.250 2.487 -19.497 1.00 0.00 C ATOM 1500 C ASP A 89 3.646 1.051 -19.148 1.00 0.00 C ATOM 1501 O ASP A 89 3.883 0.225 -20.027 1.00 0.00 O ATOM 1502 CB ASP A 89 4.473 3.417 -19.503 1.00 0.00 C ATOM 1503 CG ASP A 89 5.615 2.909 -20.358 1.00 0.00 C ATOM 1504 OD1 ASP A 89 6.386 2.052 -19.883 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.744 3.366 -21.513 1.00 0.00 O ATOM 0 H ASP A 89 2.584 3.826 -18.043 1.00 0.00 H new ATOM 0 HA ASP A 89 2.812 2.479 -20.495 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.170 4.400 -19.863 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.826 3.547 -18.480 1.00 0.00 H new ATOM 1510 N GLY A 90 3.679 0.763 -17.850 1.00 0.00 N ATOM 1511 CA GLY A 90 4.010 -0.568 -17.383 1.00 0.00 C ATOM 1512 C GLY A 90 2.773 -1.371 -17.009 1.00 0.00 C ATOM 1513 O GLY A 90 2.826 -2.597 -16.937 1.00 0.00 O ATOM 0 H GLY A 90 3.480 1.435 -17.109 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.563 -1.096 -18.160 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.668 -0.494 -16.517 1.00 0.00 H new ATOM 1517 N ILE A 91 1.655 -0.677 -16.779 1.00 0.00 N ATOM 1518 CA ILE A 91 0.401 -1.329 -16.423 1.00 0.00 C ATOM 1519 C ILE A 91 -0.238 -1.975 -17.651 1.00 0.00 C ATOM 1520 O ILE A 91 -0.648 -1.280 -18.580 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.605 -0.325 -15.807 1.00 0.00 C ATOM 1522 CG1 ILE A 91 0.000 0.378 -14.591 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.899 -1.028 -15.427 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.425 -0.561 -13.486 1.00 0.00 C ATOM 0 H ILE A 91 1.597 0.340 -16.834 1.00 0.00 H new ATOM 0 HA ILE A 91 0.637 -2.094 -15.683 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.831 0.431 -16.559 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.865 0.959 -14.913 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.728 1.085 -14.193 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.592 -0.306 -14.996 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.345 -1.474 -16.316 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.688 -1.809 -14.696 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.844 0.015 -12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.440 -1.124 -13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.178 -1.252 -13.865 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.326 -3.309 -17.675 1.00 0.00 N ATOM 1537 CA PRO A 92 -0.918 -4.037 -18.792 1.00 0.00 C ATOM 1538 C PRO A 92 -2.440 -3.903 -18.819 1.00 0.00 C ATOM 1539 O PRO A 92 -3.004 -3.253 -19.699 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.511 -5.495 -18.539 1.00 0.00 C ATOM 1541 CG PRO A 92 0.444 -5.465 -17.390 1.00 0.00 C ATOM 1542 CD PRO A 92 0.139 -4.214 -16.623 1.00 0.00 C ATOM 0 HA PRO A 92 -0.576 -3.654 -19.754 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.382 -6.108 -18.306 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.043 -5.928 -19.423 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.323 -6.347 -16.760 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.476 -5.464 -17.742 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.624 -4.379 -15.862 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.020 -3.825 -16.112 1.00 0.00 H new