USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 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= -2.84! K(o=-2.8!,f=-0.12) USER MOD Set 2.1: A 29 MET CE :methyl -133:sc= -1.92 (180deg=-3.19!) USER MOD Set 2.2: A 70 SER OG : rot 152:sc= 0.309 USER MOD Set 3.1: A 42 LYS NZ :NH3+ 124:sc= 1.23 (180deg=-0.0748) USER MOD Set 3.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -152:sc= -7.28! (180deg=-9.19!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.031 (180deg=-0.125) USER MOD Single : A 4 LYS NZ :NH3+ -123:sc= 0.721 (180deg=0.525) USER MOD Single : A 7 ASN : amide:sc= -0.0452 K(o=-0.045,f=-0.59) USER MOD Single : A 8 CYS SG : rot 88:sc= 0.801 USER MOD Single : A 11 GLN : amide:sc= -1.97! K(o=-2!,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0449 (180deg=-0.287) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.783 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 152:sc= -4.88! (180deg=-8.9!) USER MOD Single : A 28 HIS : no HD1:sc= 0.213 K(o=0.21,f=-4.8!) USER MOD Single : A 31 SER OG : rot -85:sc= -1.25! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0358 X(o=0.036,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.5) USER MOD Single : A 50 GLN : amide:sc= -5.3! K(o=-5.3!,f=-0.85) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=1.2) USER MOD Single : A 55 MET CE :methyl 135:sc= -1.07 (180deg=-4.29!) USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.963) USER MOD Single : A 59 MET CE :methyl -161:sc= -8.96! (180deg=-10.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.6) USER MOD Single : A 67 SER OG : rot 180:sc= 0.03 USER MOD Single : A 68 TYR OH : rot 119:sc= -5.2! USER MOD Single : A 73 ASN : amide:sc=-0.00255 X(o=-0.0026,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 80 TYR OH : rot -13:sc= -1.65! USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= -0.262 (180deg=-1.55!) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 6.193 -7.679 -9.380 1.00 0.00 N ATOM 62 CA MET A 1 5.823 -6.446 -10.022 1.00 0.00 C ATOM 63 C MET A 1 6.550 -6.330 -11.349 1.00 0.00 C ATOM 64 O MET A 1 7.719 -6.696 -11.453 1.00 0.00 O ATOM 65 CB MET A 1 6.140 -5.253 -9.135 1.00 0.00 C ATOM 66 CG MET A 1 5.558 -3.954 -9.658 1.00 0.00 C ATOM 67 SD MET A 1 5.299 -2.760 -8.347 1.00 0.00 S ATOM 68 CE MET A 1 4.398 -3.789 -7.195 1.00 0.00 C ATOM 0 H1 MET A 1 6.426 -7.495 -8.383 1.00 0.00 H new ATOM 0 H2 MET A 1 5.400 -8.349 -9.432 1.00 0.00 H new ATOM 0 H3 MET A 1 7.021 -8.085 -9.860 1.00 0.00 H new ATOM 0 HA MET A 1 4.747 -6.451 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.754 -5.440 -8.133 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.222 -5.150 -9.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.229 -3.531 -10.406 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.610 -4.156 -10.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.741 -3.166 -6.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.802 -4.516 -7.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.102 -4.312 -6.548 1.00 0.00 H new ATOM 78 N ASP A 2 5.863 -5.830 -12.352 1.00 0.00 N ATOM 79 CA ASP A 2 6.469 -5.668 -13.667 1.00 0.00 C ATOM 80 C ASP A 2 7.589 -4.640 -13.591 1.00 0.00 C ATOM 81 O ASP A 2 7.417 -3.572 -13.012 1.00 0.00 O ATOM 82 CB ASP A 2 5.409 -5.273 -14.698 1.00 0.00 C ATOM 83 CG ASP A 2 5.970 -5.164 -16.101 1.00 0.00 C ATOM 84 OD1 ASP A 2 6.683 -4.184 -16.391 1.00 0.00 O ATOM 85 OD2 ASP A 2 5.711 -6.063 -16.920 1.00 0.00 O ATOM 0 H ASP A 2 4.891 -5.529 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 2 6.899 -6.617 -13.989 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.606 -6.010 -14.688 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.968 -4.318 -14.412 1.00 0.00 H new ATOM 90 N ALA A 3 8.737 -4.997 -14.139 1.00 0.00 N ATOM 91 CA ALA A 3 9.921 -4.144 -14.117 1.00 0.00 C ATOM 92 C ALA A 3 9.682 -2.807 -14.806 1.00 0.00 C ATOM 93 O ALA A 3 10.151 -1.774 -14.343 1.00 0.00 O ATOM 94 CB ALA A 3 11.097 -4.864 -14.762 1.00 0.00 C ATOM 0 H ALA A 3 8.879 -5.888 -14.614 1.00 0.00 H new ATOM 0 HA ALA A 3 10.150 -3.934 -13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.975 -4.219 -14.740 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.307 -5.782 -14.213 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.852 -5.108 -15.796 1.00 0.00 H new ATOM 100 N LYS A 4 8.941 -2.819 -15.900 1.00 0.00 N ATOM 101 CA LYS A 4 8.647 -1.592 -16.621 1.00 0.00 C ATOM 102 C LYS A 4 7.564 -0.809 -15.891 1.00 0.00 C ATOM 103 O LYS A 4 7.451 0.405 -16.042 1.00 0.00 O ATOM 104 CB LYS A 4 8.219 -1.907 -18.058 1.00 0.00 C ATOM 105 CG LYS A 4 8.261 -0.714 -19.003 1.00 0.00 C ATOM 106 CD LYS A 4 8.878 -1.110 -20.336 1.00 0.00 C ATOM 107 CE LYS A 4 8.880 0.039 -21.330 1.00 0.00 C ATOM 108 NZ LYS A 4 7.516 0.407 -21.778 1.00 0.00 N ATOM 0 H LYS A 4 8.533 -3.660 -16.308 1.00 0.00 H new ATOM 0 HA LYS A 4 9.548 -0.980 -16.664 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.865 -2.691 -18.453 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.205 -2.307 -18.043 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.252 -0.333 -19.162 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.840 0.093 -18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.901 -1.450 -20.174 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.325 -1.950 -20.755 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.356 0.908 -20.875 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.481 -0.236 -22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.461 0.339 -22.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.824 -0.241 -21.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.305 1.382 -21.484 1.00 0.00 H new ATOM 122 N ALA A 5 6.788 -1.512 -15.080 1.00 0.00 N ATOM 123 CA ALA A 5 5.730 -0.900 -14.297 1.00 0.00 C ATOM 124 C ALA A 5 6.310 -0.264 -13.044 1.00 0.00 C ATOM 125 O ALA A 5 6.160 0.935 -12.809 1.00 0.00 O ATOM 126 CB ALA A 5 4.713 -1.969 -13.911 1.00 0.00 C ATOM 0 H ALA A 5 6.875 -2.520 -14.948 1.00 0.00 H new ATOM 0 HA ALA A 5 5.242 -0.125 -14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.915 -1.516 -13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.292 -2.413 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.205 -2.743 -13.321 1.00 0.00 H new ATOM 132 N ARG A 6 6.972 -1.093 -12.247 1.00 0.00 N ATOM 133 CA ARG A 6 7.575 -0.655 -10.997 1.00 0.00 C ATOM 134 C ARG A 6 8.574 0.476 -11.216 1.00 0.00 C ATOM 135 O ARG A 6 8.714 1.371 -10.381 1.00 0.00 O ATOM 136 CB ARG A 6 8.252 -1.843 -10.324 1.00 0.00 C ATOM 137 CG ARG A 6 8.478 -1.644 -8.834 1.00 0.00 C ATOM 138 CD ARG A 6 9.145 -2.853 -8.212 1.00 0.00 C ATOM 139 NE ARG A 6 10.571 -2.912 -8.529 1.00 0.00 N ATOM 140 CZ ARG A 6 11.397 -3.861 -8.102 1.00 0.00 C ATOM 141 NH1 ARG A 6 10.943 -4.890 -7.405 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.687 -3.777 -8.377 1.00 0.00 N ATOM 0 H ARG A 6 7.105 -2.084 -12.449 1.00 0.00 H new ATOM 0 HA ARG A 6 6.787 -0.265 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.642 -2.733 -10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.211 -2.027 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.097 -0.761 -8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.524 -1.459 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.014 -2.823 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.656 -3.760 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 6 10.958 -2.175 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.949 -4.961 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.588 -5.612 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.044 -2.987 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.326 -4.502 -8.052 1.00 0.00 H new ATOM 156 N ASN A 7 9.257 0.443 -12.347 1.00 0.00 N ATOM 157 CA ASN A 7 10.228 1.470 -12.672 1.00 0.00 C ATOM 158 C ASN A 7 9.553 2.766 -13.025 1.00 0.00 C ATOM 159 O ASN A 7 9.843 3.774 -12.417 1.00 0.00 O ATOM 160 CB ASN A 7 11.157 1.035 -13.813 1.00 0.00 C ATOM 161 CG ASN A 7 12.446 0.401 -13.323 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.088 0.896 -12.398 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.851 -0.675 -13.973 1.00 0.00 N ATOM 0 H ASN A 7 9.156 -0.284 -13.055 1.00 0.00 H new ATOM 0 HA ASN A 7 10.835 1.623 -11.780 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.630 0.326 -14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.397 1.902 -14.429 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.727 -1.128 -13.713 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.288 -1.053 -14.735 1.00 0.00 H new ATOM 170 N CYS A 8 8.642 2.755 -13.981 1.00 0.00 N ATOM 171 CA CYS A 8 7.936 3.975 -14.362 1.00 0.00 C ATOM 172 C CYS A 8 7.367 4.691 -13.137 1.00 0.00 C ATOM 173 O CYS A 8 7.217 5.914 -13.132 1.00 0.00 O ATOM 174 CB CYS A 8 6.822 3.633 -15.356 1.00 0.00 C ATOM 175 SG CYS A 8 7.404 3.173 -17.006 1.00 0.00 S ATOM 0 H CYS A 8 8.372 1.924 -14.507 1.00 0.00 H new ATOM 0 HA CYS A 8 8.644 4.654 -14.837 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.231 2.812 -14.951 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.156 4.491 -15.446 1.00 0.00 H new ATOM 0 HG CYS A 8 7.648 1.896 -17.040 1.00 0.00 H new ATOM 181 N LEU A 9 7.093 3.929 -12.096 1.00 0.00 N ATOM 182 CA LEU A 9 6.575 4.479 -10.866 1.00 0.00 C ATOM 183 C LEU A 9 7.676 5.115 -10.013 1.00 0.00 C ATOM 184 O LEU A 9 7.573 6.276 -9.622 1.00 0.00 O ATOM 185 CB LEU A 9 5.885 3.366 -10.077 1.00 0.00 C ATOM 186 CG LEU A 9 5.841 3.574 -8.565 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.850 4.672 -8.198 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.496 2.274 -7.848 1.00 0.00 C ATOM 0 H LEU A 9 7.223 2.917 -12.082 1.00 0.00 H new ATOM 0 HA LEU A 9 5.864 5.266 -11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.864 3.262 -10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.395 2.425 -10.284 1.00 0.00 H new ATOM 0 HG LEU A 9 6.832 3.888 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.836 4.802 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.150 5.606 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.854 4.394 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.471 2.447 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.520 1.922 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.250 1.521 -8.076 1.00 0.00 H new ATOM 200 N LEU A 10 8.704 4.337 -9.701 1.00 0.00 N ATOM 201 CA LEU A 10 9.791 4.815 -8.848 1.00 0.00 C ATOM 202 C LEU A 10 10.790 5.703 -9.602 1.00 0.00 C ATOM 203 O LEU A 10 11.400 6.602 -9.024 1.00 0.00 O ATOM 204 CB LEU A 10 10.513 3.613 -8.260 1.00 0.00 C ATOM 205 CG LEU A 10 9.732 2.825 -7.198 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.317 1.430 -7.048 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.762 3.558 -5.858 1.00 0.00 C ATOM 0 H LEU A 10 8.811 3.375 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 10 9.354 5.431 -8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.773 2.934 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.449 3.954 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 10 8.695 2.740 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.756 0.880 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.254 0.905 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.361 1.504 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.204 2.985 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.795 3.670 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.309 4.543 -5.972 1.00 0.00 H new ATOM 219 N GLN A 11 10.961 5.430 -10.884 1.00 0.00 N ATOM 220 CA GLN A 11 11.892 6.173 -11.739 1.00 0.00 C ATOM 221 C GLN A 11 11.468 7.629 -11.871 1.00 0.00 C ATOM 222 O GLN A 11 12.306 8.527 -11.923 1.00 0.00 O ATOM 223 CB GLN A 11 11.949 5.506 -13.105 1.00 0.00 C ATOM 224 CG GLN A 11 13.130 5.891 -13.975 1.00 0.00 C ATOM 225 CD GLN A 11 13.166 5.054 -15.240 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.078 5.170 -16.059 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.160 4.199 -15.401 1.00 0.00 N ATOM 0 H GLN A 11 10.460 4.686 -11.370 1.00 0.00 H new ATOM 0 HA GLN A 11 12.883 6.160 -11.285 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.964 4.426 -12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.032 5.743 -13.644 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.066 6.948 -14.235 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.057 5.755 -13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.426 4.137 -14.696 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.123 3.605 -16.230 1.00 0.00 H new ATOM 236 N HIS A 12 10.161 7.862 -11.881 1.00 0.00 N ATOM 237 CA HIS A 12 9.626 9.209 -11.954 1.00 0.00 C ATOM 238 C HIS A 12 9.563 9.805 -10.560 1.00 0.00 C ATOM 239 O HIS A 12 8.643 10.540 -10.228 1.00 0.00 O ATOM 240 CB HIS A 12 8.248 9.218 -12.618 1.00 0.00 C ATOM 241 CG HIS A 12 8.320 9.122 -14.108 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.035 10.011 -14.877 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.754 8.252 -14.974 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.903 9.695 -16.149 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.130 8.631 -16.236 1.00 0.00 N ATOM 0 H HIS A 12 9.452 7.130 -11.839 1.00 0.00 H new ATOM 0 HA HIS A 12 10.287 9.819 -12.570 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.659 8.385 -12.233 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.724 10.133 -12.343 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.123 7.414 -14.719 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.352 10.219 -16.980 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.856 8.166 -17.101 1.00 0.00 H new ATOM 254 N ARG A 13 10.577 9.477 -9.757 1.00 0.00 N ATOM 255 CA ARG A 13 10.691 9.970 -8.383 1.00 0.00 C ATOM 256 C ARG A 13 10.770 11.494 -8.363 1.00 0.00 C ATOM 257 O ARG A 13 10.527 12.118 -7.329 1.00 0.00 O ATOM 258 CB ARG A 13 11.876 9.343 -7.626 1.00 0.00 C ATOM 259 CG ARG A 13 13.243 9.909 -7.963 1.00 0.00 C ATOM 260 CD ARG A 13 13.724 9.465 -9.330 1.00 0.00 C ATOM 261 NE ARG A 13 15.073 9.949 -9.601 1.00 0.00 N ATOM 262 CZ ARG A 13 16.186 9.379 -9.156 1.00 0.00 C ATOM 263 NH1 ARG A 13 16.145 8.221 -8.534 1.00 0.00 N ATOM 264 NH2 ARG A 13 17.349 9.969 -9.355 1.00 0.00 N ATOM 0 H ARG A 13 11.341 8.863 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 13 9.788 9.661 -7.856 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.706 9.465 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.887 8.272 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.202 10.998 -7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.962 9.594 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.708 8.377 -9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.042 9.835 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 13 15.168 10.787 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.251 7.751 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.007 7.793 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.391 10.860 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.206 9.534 -9.014 1.00 0.00 H new ATOM 278 N GLU A 14 11.037 12.092 -9.529 1.00 0.00 N ATOM 279 CA GLU A 14 11.055 13.546 -9.657 1.00 0.00 C ATOM 280 C GLU A 14 9.641 14.058 -9.385 1.00 0.00 C ATOM 281 O GLU A 14 9.435 15.211 -8.998 1.00 0.00 O ATOM 282 CB GLU A 14 11.484 13.985 -11.064 1.00 0.00 C ATOM 283 CG GLU A 14 12.973 13.856 -11.359 1.00 0.00 C ATOM 284 CD GLU A 14 13.460 12.424 -11.379 1.00 0.00 C ATOM 285 OE1 GLU A 14 12.762 11.555 -11.947 1.00 0.00 O ATOM 286 OE2 GLU A 14 14.557 12.164 -10.843 1.00 0.00 O ATOM 0 H GLU A 14 11.243 11.590 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 14 11.773 13.955 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.933 13.394 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.190 15.025 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.186 14.318 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.534 14.412 -10.608 1.00 0.00 H new ATOM 293 N ALA A 15 8.674 13.166 -9.589 1.00 0.00 N ATOM 294 CA ALA A 15 7.279 13.473 -9.362 1.00 0.00 C ATOM 295 C ALA A 15 6.683 12.516 -8.324 1.00 0.00 C ATOM 296 O ALA A 15 5.563 12.718 -7.861 1.00 0.00 O ATOM 297 CB ALA A 15 6.509 13.402 -10.669 1.00 0.00 C ATOM 0 H ALA A 15 8.843 12.215 -9.916 1.00 0.00 H new ATOM 0 HA ALA A 15 7.200 14.488 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.460 13.635 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.923 14.122 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.591 12.398 -11.085 1.00 0.00 H new ATOM 303 N LEU A 16 7.449 11.467 -7.974 1.00 0.00 N ATOM 304 CA LEU A 16 7.015 10.460 -6.991 1.00 0.00 C ATOM 305 C LEU A 16 6.531 11.119 -5.701 1.00 0.00 C ATOM 306 O LEU A 16 5.339 11.297 -5.516 1.00 0.00 O ATOM 307 CB LEU A 16 8.148 9.479 -6.686 1.00 0.00 C ATOM 308 CG LEU A 16 7.737 8.217 -5.931 1.00 0.00 C ATOM 309 CD1 LEU A 16 8.386 6.995 -6.554 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.101 8.319 -4.460 1.00 0.00 C ATOM 0 H LEU A 16 8.377 11.295 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 16 6.181 9.910 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.613 9.184 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.909 9.999 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 16 6.654 8.115 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.084 6.103 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.071 6.906 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.470 7.097 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.797 7.407 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.178 8.450 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.589 9.173 -4.017 1.00 0.00 H new ATOM 322 N GLU A 17 7.443 11.470 -4.806 1.00 0.00 N ATOM 323 CA GLU A 17 7.049 12.093 -3.542 1.00 0.00 C ATOM 324 C GLU A 17 6.193 13.351 -3.764 1.00 0.00 C ATOM 325 O GLU A 17 5.340 13.687 -2.946 1.00 0.00 O ATOM 326 CB GLU A 17 8.278 12.459 -2.704 1.00 0.00 C ATOM 327 CG GLU A 17 7.920 13.126 -1.382 1.00 0.00 C ATOM 328 CD GLU A 17 9.113 13.707 -0.651 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.792 14.589 -1.211 1.00 0.00 O ATOM 330 OE2 GLU A 17 9.362 13.302 0.503 1.00 0.00 O ATOM 0 H GLU A 17 8.448 11.338 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 17 6.449 11.358 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.857 11.557 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.918 13.127 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.198 13.921 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.430 12.396 -0.738 1.00 0.00 H new ATOM 337 N LYS A 18 6.435 14.048 -4.864 1.00 0.00 N ATOM 338 CA LYS A 18 5.713 15.279 -5.183 1.00 0.00 C ATOM 339 C LYS A 18 4.211 15.066 -5.404 1.00 0.00 C ATOM 340 O LYS A 18 3.391 15.791 -4.838 1.00 0.00 O ATOM 341 CB LYS A 18 6.322 15.932 -6.425 1.00 0.00 C ATOM 342 CG LYS A 18 5.586 17.180 -6.883 1.00 0.00 C ATOM 343 CD LYS A 18 6.274 17.837 -8.067 1.00 0.00 C ATOM 344 CE LYS A 18 5.509 19.066 -8.542 1.00 0.00 C ATOM 345 NZ LYS A 18 5.343 20.072 -7.459 1.00 0.00 N ATOM 0 H LYS A 18 7.132 13.782 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 18 5.816 15.930 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.361 16.189 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.330 15.207 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.563 16.920 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.525 17.890 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.288 18.123 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.358 17.121 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.037 19.520 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.528 18.763 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.004 20.967 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.652 19.723 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.257 20.230 -6.989 1.00 0.00 H new ATOM 359 N ASP A 19 3.848 14.111 -6.247 1.00 0.00 N ATOM 360 CA ASP A 19 2.434 13.877 -6.552 1.00 0.00 C ATOM 361 C ASP A 19 1.892 12.595 -5.932 1.00 0.00 C ATOM 362 O ASP A 19 0.693 12.486 -5.682 1.00 0.00 O ATOM 363 CB ASP A 19 2.200 13.876 -8.064 1.00 0.00 C ATOM 364 CG ASP A 19 2.113 15.278 -8.642 1.00 0.00 C ATOM 365 OD1 ASP A 19 1.119 15.984 -8.365 1.00 0.00 O ATOM 366 OD2 ASP A 19 3.039 15.691 -9.374 1.00 0.00 O ATOM 0 H ASP A 19 4.498 13.490 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 19 1.882 14.702 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.010 13.335 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.278 13.338 -8.285 1.00 0.00 H new ATOM 371 N ILE A 20 2.761 11.636 -5.666 1.00 0.00 N ATOM 372 CA ILE A 20 2.336 10.385 -5.051 1.00 0.00 C ATOM 373 C ILE A 20 2.066 10.593 -3.565 1.00 0.00 C ATOM 374 O ILE A 20 2.927 10.351 -2.714 1.00 0.00 O ATOM 375 CB ILE A 20 3.381 9.253 -5.187 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.710 8.931 -6.642 1.00 0.00 C ATOM 377 CG2 ILE A 20 2.894 7.993 -4.500 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.639 7.742 -6.758 1.00 0.00 C ATOM 0 H ILE A 20 3.760 11.696 -5.864 1.00 0.00 H new ATOM 0 HA ILE A 20 1.433 10.085 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 20 4.291 9.614 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.788 8.727 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.171 9.800 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.643 7.208 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.729 8.196 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.959 7.667 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.849 7.545 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.571 7.957 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.167 6.866 -6.312 1.00 0.00 H new ATOM 390 N LYS A 21 0.863 11.023 -3.255 1.00 0.00 N ATOM 391 CA LYS A 21 0.469 11.228 -1.877 1.00 0.00 C ATOM 392 C LYS A 21 -0.165 9.961 -1.346 1.00 0.00 C ATOM 393 O LYS A 21 -0.384 9.006 -2.096 1.00 0.00 O ATOM 394 CB LYS A 21 -0.470 12.422 -1.752 1.00 0.00 C ATOM 395 CG LYS A 21 0.290 13.706 -1.459 1.00 0.00 C ATOM 396 CD LYS A 21 -0.542 14.945 -1.724 1.00 0.00 C ATOM 397 CE LYS A 21 0.263 16.214 -1.460 1.00 0.00 C ATOM 398 NZ LYS A 21 -0.465 17.440 -1.883 1.00 0.00 N ATOM 0 H LYS A 21 0.138 11.238 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 21 1.351 11.454 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.037 12.537 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.191 12.236 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.612 13.704 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.191 13.739 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.889 14.939 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.428 14.934 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.495 16.280 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.213 16.156 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.120 18.277 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.665 17.391 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.360 17.511 -1.358 1.00 0.00 H new ATOM 412 N THR A 22 -0.437 9.928 -0.067 1.00 0.00 N ATOM 413 CA THR A 22 -1.020 8.746 0.513 1.00 0.00 C ATOM 414 C THR A 22 -2.413 9.050 1.073 1.00 0.00 C ATOM 415 O THR A 22 -3.333 9.218 0.285 1.00 0.00 O ATOM 416 CB THR A 22 -0.047 8.157 1.566 1.00 0.00 C ATOM 417 OG1 THR A 22 -0.656 7.099 2.310 1.00 0.00 O ATOM 418 CG2 THR A 22 0.461 9.235 2.512 1.00 0.00 C ATOM 0 H THR A 22 -0.267 10.694 0.585 1.00 0.00 H new ATOM 0 HA THR A 22 -1.167 7.984 -0.252 1.00 0.00 H new ATOM 0 HB THR A 22 0.802 7.746 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.166 6.964 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.141 8.790 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.988 10.000 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.382 9.688 3.034 1.00 0.00 H new ATOM 426 N SER A 23 -2.544 9.156 2.396 1.00 0.00 N ATOM 427 CA SER A 23 -3.811 9.465 3.081 1.00 0.00 C ATOM 428 C SER A 23 -5.061 8.924 2.351 1.00 0.00 C ATOM 429 O SER A 23 -5.477 7.785 2.577 1.00 0.00 O ATOM 430 CB SER A 23 -3.929 10.976 3.306 1.00 0.00 C ATOM 431 OG SER A 23 -2.814 11.471 4.037 1.00 0.00 O ATOM 0 H SER A 23 -1.762 9.028 3.038 1.00 0.00 H new ATOM 0 HA SER A 23 -3.780 8.948 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.994 11.486 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.850 11.196 3.847 1.00 0.00 H new ATOM 0 HG SER A 23 -2.911 12.438 4.167 1.00 0.00 H new ATOM 437 N TYR A 24 -5.651 9.748 1.485 1.00 0.00 N ATOM 438 CA TYR A 24 -6.852 9.377 0.726 1.00 0.00 C ATOM 439 C TYR A 24 -6.587 8.215 -0.235 1.00 0.00 C ATOM 440 O TYR A 24 -7.361 7.258 -0.301 1.00 0.00 O ATOM 441 CB TYR A 24 -7.355 10.582 -0.059 1.00 0.00 C ATOM 442 CG TYR A 24 -7.798 11.749 0.800 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.878 12.483 1.540 1.00 0.00 C ATOM 444 CD2 TYR A 24 -9.137 12.119 0.869 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.276 13.549 2.318 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.541 13.187 1.646 1.00 0.00 C ATOM 447 CZ TYR A 24 -8.606 13.897 2.371 1.00 0.00 C ATOM 448 OH TYR A 24 -9.003 14.961 3.149 1.00 0.00 O ATOM 0 H TYR A 24 -5.313 10.690 1.288 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.607 9.052 1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.564 10.920 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.191 10.269 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.833 12.213 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.872 11.563 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.546 14.109 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.584 13.465 1.686 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.973 15.076 3.076 1.00 0.00 H new ATOM 458 N ILE A 25 -5.480 8.299 -0.967 1.00 0.00 N ATOM 459 CA ILE A 25 -5.089 7.258 -1.911 1.00 0.00 C ATOM 460 C ILE A 25 -4.913 5.934 -1.173 1.00 0.00 C ATOM 461 O ILE A 25 -5.346 4.875 -1.634 1.00 0.00 O ATOM 462 CB ILE A 25 -3.775 7.646 -2.621 1.00 0.00 C ATOM 463 CG1 ILE A 25 -4.020 8.815 -3.578 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.171 6.462 -3.362 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.771 9.305 -4.276 1.00 0.00 C ATOM 0 H ILE A 25 -4.832 9.086 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.871 7.149 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.058 7.956 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.749 8.511 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.462 9.641 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.247 6.771 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.957 5.661 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.876 6.105 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.025 10.134 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.047 9.642 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.339 8.493 -4.861 1.00 0.00 H new ATOM 477 N MET A 26 -4.307 6.031 -0.006 1.00 0.00 N ATOM 478 CA MET A 26 -4.075 4.887 0.861 1.00 0.00 C ATOM 479 C MET A 26 -5.388 4.346 1.400 1.00 0.00 C ATOM 480 O MET A 26 -5.507 3.154 1.668 1.00 0.00 O ATOM 481 CB MET A 26 -3.176 5.322 2.022 1.00 0.00 C ATOM 482 CG MET A 26 -3.086 4.320 3.159 1.00 0.00 C ATOM 483 SD MET A 26 -2.396 5.039 4.657 1.00 0.00 S ATOM 484 CE MET A 26 -2.492 3.639 5.762 1.00 0.00 C ATOM 0 H MET A 26 -3.958 6.912 0.372 1.00 0.00 H new ATOM 0 HA MET A 26 -3.591 4.096 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.173 5.508 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.546 6.268 2.417 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.080 3.927 3.373 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.470 3.476 2.848 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.707 3.715 6.515 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.465 3.628 6.252 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.362 2.718 5.194 1.00 0.00 H new ATOM 494 N ASP A 27 -6.389 5.212 1.537 1.00 0.00 N ATOM 495 CA ASP A 27 -7.688 4.779 2.037 1.00 0.00 C ATOM 496 C ASP A 27 -8.325 3.845 1.026 1.00 0.00 C ATOM 497 O ASP A 27 -8.912 2.825 1.375 1.00 0.00 O ATOM 498 CB ASP A 27 -8.602 5.981 2.298 1.00 0.00 C ATOM 499 CG ASP A 27 -9.834 5.625 3.108 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.907 4.497 3.635 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.724 6.490 3.246 1.00 0.00 O ATOM 0 H ASP A 27 -6.326 6.205 1.312 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.547 4.255 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.038 6.751 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.912 6.408 1.344 1.00 0.00 H new ATOM 506 N HIS A 28 -8.163 4.203 -0.236 1.00 0.00 N ATOM 507 CA HIS A 28 -8.688 3.417 -1.338 1.00 0.00 C ATOM 508 C HIS A 28 -7.920 2.110 -1.491 1.00 0.00 C ATOM 509 O HIS A 28 -8.456 1.129 -1.986 1.00 0.00 O ATOM 510 CB HIS A 28 -8.619 4.225 -2.627 1.00 0.00 C ATOM 511 CG HIS A 28 -9.533 5.408 -2.633 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.903 5.308 -2.524 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.263 6.730 -2.728 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.434 6.515 -2.556 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.459 7.393 -2.678 1.00 0.00 N ATOM 0 H HIS A 28 -7.665 5.045 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.728 3.172 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.595 4.565 -2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.869 3.577 -3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.285 7.179 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.487 6.744 -2.493 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.577 8.405 -2.727 1.00 0.00 H new ATOM 524 N MET A 29 -6.666 2.103 -1.053 1.00 0.00 N ATOM 525 CA MET A 29 -5.841 0.898 -1.137 1.00 0.00 C ATOM 526 C MET A 29 -6.243 -0.115 -0.065 1.00 0.00 C ATOM 527 O MET A 29 -6.165 -1.329 -0.277 1.00 0.00 O ATOM 528 CB MET A 29 -4.358 1.238 -0.999 1.00 0.00 C ATOM 529 CG MET A 29 -3.770 1.923 -2.222 1.00 0.00 C ATOM 530 SD MET A 29 -2.030 1.514 -2.471 1.00 0.00 S ATOM 531 CE MET A 29 -2.158 -0.202 -2.984 1.00 0.00 C ATOM 0 H MET A 29 -6.199 2.910 -0.639 1.00 0.00 H new ATOM 0 HA MET A 29 -6.007 0.454 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.222 1.884 -0.132 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.801 0.321 -0.804 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.338 1.633 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.875 3.003 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.435 -0.802 -2.431 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.164 -0.568 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.952 -0.279 -4.052 1.00 0.00 H new ATOM 541 N ILE A 30 -6.682 0.389 1.079 1.00 0.00 N ATOM 542 CA ILE A 30 -7.109 -0.467 2.179 1.00 0.00 C ATOM 543 C ILE A 30 -8.518 -0.975 1.905 1.00 0.00 C ATOM 544 O ILE A 30 -8.810 -2.153 2.095 1.00 0.00 O ATOM 545 CB ILE A 30 -7.104 0.281 3.525 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.811 1.084 3.697 1.00 0.00 C ATOM 547 CG2 ILE A 30 -7.261 -0.687 4.691 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.747 1.882 4.979 1.00 0.00 C ATOM 0 H ILE A 30 -6.752 1.388 1.271 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.404 -1.295 2.247 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.951 0.967 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.964 0.399 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.703 1.764 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.254 -0.131 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.205 -1.223 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.436 -1.400 4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.801 2.422 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.572 2.593 5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.821 1.207 5.832 1.00 0.00 H new ATOM 560 N SER A 31 -9.380 -0.075 1.429 1.00 0.00 N ATOM 561 CA SER A 31 -10.754 -0.430 1.101 1.00 0.00 C ATOM 562 C SER A 31 -10.762 -1.401 -0.072 1.00 0.00 C ATOM 563 O SER A 31 -11.656 -2.241 -0.198 1.00 0.00 O ATOM 564 CB SER A 31 -11.567 0.825 0.773 1.00 0.00 C ATOM 565 OG SER A 31 -10.932 1.600 -0.227 1.00 0.00 O ATOM 0 H SER A 31 -9.147 0.904 1.263 1.00 0.00 H new ATOM 0 HA SER A 31 -11.216 -0.913 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.563 0.538 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.695 1.424 1.674 1.00 0.00 H new ATOM 0 HG SER A 31 -10.275 2.196 0.189 1.00 0.00 H new ATOM 571 N ASP A 32 -9.727 -1.298 -0.904 1.00 0.00 N ATOM 572 CA ASP A 32 -9.566 -2.184 -2.044 1.00 0.00 C ATOM 573 C ASP A 32 -9.292 -3.584 -1.520 1.00 0.00 C ATOM 574 O ASP A 32 -9.653 -4.583 -2.146 1.00 0.00 O ATOM 575 CB ASP A 32 -8.409 -1.711 -2.924 1.00 0.00 C ATOM 576 CG ASP A 32 -8.688 -1.864 -4.407 1.00 0.00 C ATOM 577 OD1 ASP A 32 -9.030 -2.974 -4.843 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.537 -0.869 -5.148 1.00 0.00 O ATOM 0 H ASP A 32 -8.986 -0.604 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.471 -2.182 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.199 -0.664 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.512 -2.276 -2.669 1.00 0.00 H new ATOM 583 N GLY A 33 -8.671 -3.653 -0.336 1.00 0.00 N ATOM 584 CA GLY A 33 -8.393 -4.942 0.269 1.00 0.00 C ATOM 585 C GLY A 33 -6.973 -5.410 0.049 1.00 0.00 C ATOM 586 O GLY A 33 -6.583 -6.478 0.530 1.00 0.00 O ATOM 0 H GLY A 33 -8.361 -2.846 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.587 -4.883 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.080 -5.683 -0.139 1.00 0.00 H new ATOM 590 N PHE A 34 -6.190 -4.616 -0.664 1.00 0.00 N ATOM 591 CA PHE A 34 -4.803 -4.962 -0.922 1.00 0.00 C ATOM 592 C PHE A 34 -3.948 -4.589 0.282 1.00 0.00 C ATOM 593 O PHE A 34 -2.984 -5.280 0.632 1.00 0.00 O ATOM 594 CB PHE A 34 -4.294 -4.279 -2.193 1.00 0.00 C ATOM 595 CG PHE A 34 -4.933 -4.810 -3.445 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.298 -4.693 -3.659 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.166 -5.432 -4.412 1.00 0.00 C ATOM 598 CE1 PHE A 34 -6.877 -5.183 -4.810 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.739 -5.924 -5.563 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.096 -5.801 -5.764 1.00 0.00 C ATOM 0 H PHE A 34 -6.491 -3.731 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.733 -6.038 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.482 -3.208 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.214 -4.409 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.915 -4.212 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.101 -5.534 -4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.941 -5.083 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.124 -6.407 -6.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.547 -6.187 -6.666 1.00 0.00 H new ATOM 610 N LEU A 35 -4.337 -3.518 0.945 1.00 0.00 N ATOM 611 CA LEU A 35 -3.652 -3.075 2.140 1.00 0.00 C ATOM 612 C LEU A 35 -4.491 -3.452 3.351 1.00 0.00 C ATOM 613 O LEU A 35 -5.624 -2.998 3.492 1.00 0.00 O ATOM 614 CB LEU A 35 -3.400 -1.566 2.096 1.00 0.00 C ATOM 615 CG LEU A 35 -1.997 -1.147 1.644 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.684 -1.681 0.258 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.858 0.365 1.678 1.00 0.00 C ATOM 0 H LEU A 35 -5.129 -2.936 0.673 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.680 -3.563 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.130 -1.112 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.581 -1.155 3.089 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.277 -1.579 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.682 -1.367 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.735 -2.770 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.410 -1.290 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.856 0.646 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.594 0.813 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.024 0.723 2.694 1.00 0.00 H new ATOM 629 N THR A 36 -3.945 -4.302 4.198 1.00 0.00 N ATOM 630 CA THR A 36 -4.652 -4.761 5.382 1.00 0.00 C ATOM 631 C THR A 36 -4.361 -3.837 6.561 1.00 0.00 C ATOM 632 O THR A 36 -3.686 -2.818 6.401 1.00 0.00 O ATOM 633 CB THR A 36 -4.270 -6.225 5.715 1.00 0.00 C ATOM 634 OG1 THR A 36 -5.105 -6.736 6.762 1.00 0.00 O ATOM 635 CG2 THR A 36 -2.813 -6.329 6.139 1.00 0.00 C ATOM 0 H THR A 36 -3.009 -4.692 4.089 1.00 0.00 H new ATOM 0 HA THR A 36 -5.723 -4.734 5.181 1.00 0.00 H new ATOM 0 HB THR A 36 -4.417 -6.817 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.852 -7.662 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.574 -7.368 6.366 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.173 -5.978 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.647 -5.716 7.025 1.00 0.00 H new ATOM 643 N ILE A 37 -4.864 -4.192 7.738 1.00 0.00 N ATOM 644 CA ILE A 37 -4.653 -3.391 8.941 1.00 0.00 C ATOM 645 C ILE A 37 -3.160 -3.216 9.208 1.00 0.00 C ATOM 646 O ILE A 37 -2.718 -2.150 9.632 1.00 0.00 O ATOM 647 CB ILE A 37 -5.332 -4.035 10.174 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.835 -4.226 9.928 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.105 -3.190 11.424 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.578 -2.935 9.629 1.00 0.00 C ATOM 0 H ILE A 37 -5.423 -5.032 7.886 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.107 -2.415 8.771 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.879 -5.013 10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.972 -4.914 9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.280 -4.695 10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.592 -3.664 12.277 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.036 -3.106 11.617 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.525 -2.196 11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.634 -3.152 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.473 -2.251 10.472 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.161 -2.474 8.734 1.00 0.00 H new ATOM 662 N SER A 38 -2.385 -4.260 8.933 1.00 0.00 N ATOM 663 CA SER A 38 -0.939 -4.210 9.123 1.00 0.00 C ATOM 664 C SER A 38 -0.303 -3.255 8.119 1.00 0.00 C ATOM 665 O SER A 38 0.627 -2.526 8.454 1.00 0.00 O ATOM 666 CB SER A 38 -0.336 -5.609 9.008 1.00 0.00 C ATOM 667 OG SER A 38 -0.824 -6.447 10.043 1.00 0.00 O ATOM 0 H SER A 38 -2.733 -5.151 8.578 1.00 0.00 H new ATOM 0 HA SER A 38 -0.731 -3.835 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.583 -6.039 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.751 -5.549 9.063 1.00 0.00 H new ATOM 0 HG SER A 38 -0.430 -7.340 9.954 1.00 0.00 H new ATOM 673 N GLU A 39 -0.842 -3.220 6.904 1.00 0.00 N ATOM 674 CA GLU A 39 -0.349 -2.302 5.883 1.00 0.00 C ATOM 675 C GLU A 39 -0.666 -0.880 6.309 1.00 0.00 C ATOM 676 O GLU A 39 0.181 0.014 6.237 1.00 0.00 O ATOM 677 CB GLU A 39 -0.978 -2.591 4.519 1.00 0.00 C ATOM 678 CG GLU A 39 -0.149 -3.502 3.616 1.00 0.00 C ATOM 679 CD GLU A 39 0.050 -4.891 4.183 1.00 0.00 C ATOM 680 OE1 GLU A 39 0.794 -5.028 5.174 1.00 0.00 O ATOM 681 OE2 GLU A 39 -0.518 -5.850 3.626 1.00 0.00 O ATOM 0 H GLU A 39 -1.616 -3.813 6.604 1.00 0.00 H new ATOM 0 HA GLU A 39 0.728 -2.435 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.956 -3.047 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.146 -1.645 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.638 -3.581 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.825 -3.044 3.446 1.00 0.00 H new ATOM 688 N GLU A 40 -1.891 -0.711 6.791 1.00 0.00 N ATOM 689 CA GLU A 40 -2.361 0.570 7.287 1.00 0.00 C ATOM 690 C GLU A 40 -1.470 1.036 8.437 1.00 0.00 C ATOM 691 O GLU A 40 -1.015 2.172 8.464 1.00 0.00 O ATOM 692 CB GLU A 40 -3.806 0.442 7.781 1.00 0.00 C ATOM 693 CG GLU A 40 -4.339 1.699 8.442 1.00 0.00 C ATOM 694 CD GLU A 40 -5.705 1.505 9.061 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.846 0.633 9.941 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.641 2.234 8.676 1.00 0.00 O ATOM 0 H GLU A 40 -2.583 -1.458 6.848 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.321 1.299 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.447 0.186 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.866 -0.384 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.639 2.023 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.391 2.498 7.703 1.00 0.00 H new ATOM 703 N GLU A 41 -1.242 0.125 9.376 1.00 0.00 N ATOM 704 CA GLU A 41 -0.431 0.374 10.561 1.00 0.00 C ATOM 705 C GLU A 41 0.958 0.919 10.213 1.00 0.00 C ATOM 706 O GLU A 41 1.440 1.834 10.859 1.00 0.00 O ATOM 707 CB GLU A 41 -0.305 -0.930 11.360 1.00 0.00 C ATOM 708 CG GLU A 41 0.354 -0.781 12.720 1.00 0.00 C ATOM 709 CD GLU A 41 0.426 -2.096 13.465 1.00 0.00 C ATOM 710 OE1 GLU A 41 1.079 -3.033 12.960 1.00 0.00 O ATOM 711 OE2 GLU A 41 -0.179 -2.206 14.549 1.00 0.00 O ATOM 0 H GLU A 41 -1.621 -0.821 9.335 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.928 1.138 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.300 -1.353 11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.267 -1.647 10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.360 -0.381 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.203 -0.058 13.315 1.00 0.00 H new ATOM 718 N LYS A 42 1.600 0.347 9.202 1.00 0.00 N ATOM 719 CA LYS A 42 2.944 0.778 8.797 1.00 0.00 C ATOM 720 C LYS A 42 2.941 2.196 8.216 1.00 0.00 C ATOM 721 O LYS A 42 3.614 3.109 8.732 1.00 0.00 O ATOM 722 CB LYS A 42 3.524 -0.217 7.775 1.00 0.00 C ATOM 723 CG LYS A 42 3.662 -1.633 8.318 1.00 0.00 C ATOM 724 CD LYS A 42 4.085 -2.632 7.245 1.00 0.00 C ATOM 725 CE LYS A 42 3.004 -2.827 6.187 1.00 0.00 C ATOM 726 NZ LYS A 42 3.251 -4.023 5.329 1.00 0.00 N ATOM 0 H LYS A 42 1.217 -0.416 8.644 1.00 0.00 H new ATOM 0 HA LYS A 42 3.572 0.795 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.883 -0.235 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.503 0.136 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.395 -1.639 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.711 -1.948 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.001 -2.285 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.313 -3.590 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.036 -2.929 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.951 -1.938 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.425 -4.654 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.409 -3.719 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.091 -4.530 5.674 1.00 0.00 H new ATOM 740 N VAL A 43 2.178 2.376 7.148 1.00 0.00 N ATOM 741 CA VAL A 43 2.070 3.672 6.489 1.00 0.00 C ATOM 742 C VAL A 43 1.575 4.740 7.468 1.00 0.00 C ATOM 743 O VAL A 43 1.993 5.892 7.400 1.00 0.00 O ATOM 744 CB VAL A 43 1.116 3.591 5.281 1.00 0.00 C ATOM 745 CG1 VAL A 43 0.996 4.942 4.589 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.592 2.529 4.303 1.00 0.00 C ATOM 0 H VAL A 43 1.622 1.638 6.717 1.00 0.00 H new ATOM 0 HA VAL A 43 3.063 3.951 6.137 1.00 0.00 H new ATOM 0 HB VAL A 43 0.127 3.311 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.317 4.857 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.607 5.678 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.978 5.259 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.909 2.483 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.592 2.781 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.617 1.560 4.802 1.00 0.00 H new ATOM 756 N ARG A 44 0.702 4.352 8.401 1.00 0.00 N ATOM 757 CA ARG A 44 0.202 5.304 9.383 1.00 0.00 C ATOM 758 C ARG A 44 1.184 5.476 10.539 1.00 0.00 C ATOM 759 O ARG A 44 1.115 6.469 11.263 1.00 0.00 O ATOM 760 CB ARG A 44 -1.161 4.902 9.947 1.00 0.00 C ATOM 761 CG ARG A 44 -2.328 5.090 8.991 1.00 0.00 C ATOM 762 CD ARG A 44 -3.614 5.322 9.769 1.00 0.00 C ATOM 763 NE ARG A 44 -4.800 4.795 9.096 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.374 5.328 8.027 1.00 0.00 C ATOM 765 NH1 ARG A 44 -4.902 6.435 7.482 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.425 4.729 7.502 1.00 0.00 N ATOM 0 H ARG A 44 0.336 3.405 8.493 1.00 0.00 H new ATOM 0 HA ARG A 44 0.090 6.249 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.120 3.855 10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.351 5.484 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.135 5.937 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.432 4.210 8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.525 4.857 10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.743 6.392 9.933 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.220 3.949 9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.084 6.893 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.356 6.832 6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.783 3.870 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.880 5.125 6.679 1.00 0.00 H new ATOM 780 N ASN A 45 2.085 4.511 10.718 1.00 0.00 N ATOM 781 CA ASN A 45 3.064 4.572 11.798 1.00 0.00 C ATOM 782 C ASN A 45 3.967 5.774 11.617 1.00 0.00 C ATOM 783 O ASN A 45 4.289 6.476 12.577 1.00 0.00 O ATOM 784 CB ASN A 45 3.904 3.297 11.850 1.00 0.00 C ATOM 785 CG ASN A 45 3.807 2.609 13.192 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.283 3.120 14.203 1.00 0.00 O ATOM 787 ND2 ASN A 45 3.170 1.453 13.210 1.00 0.00 N ATOM 0 H ASN A 45 2.156 3.681 10.130 1.00 0.00 H new ATOM 0 HA ASN A 45 2.522 4.666 12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.574 2.613 11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.946 3.541 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.057 0.947 14.088 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.791 1.066 12.346 1.00 0.00 H new ATOM 794 N GLU A 46 4.363 6.021 10.377 1.00 0.00 N ATOM 795 CA GLU A 46 5.217 7.172 10.092 1.00 0.00 C ATOM 796 C GLU A 46 4.475 8.484 10.376 1.00 0.00 C ATOM 797 O GLU A 46 3.255 8.555 10.256 1.00 0.00 O ATOM 798 CB GLU A 46 5.752 7.123 8.667 1.00 0.00 C ATOM 799 CG GLU A 46 6.971 6.231 8.535 1.00 0.00 C ATOM 800 CD GLU A 46 8.006 6.504 9.616 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.914 5.903 10.703 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.898 7.350 9.399 1.00 0.00 O ATOM 0 H GLU A 46 4.115 5.455 9.565 1.00 0.00 H new ATOM 0 HA GLU A 46 6.078 7.129 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.968 6.763 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.007 8.132 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.662 5.187 8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.424 6.381 7.555 1.00 0.00 H new ATOM 809 N PRO A 47 5.200 9.520 10.835 1.00 0.00 N ATOM 810 CA PRO A 47 4.611 10.810 11.235 1.00 0.00 C ATOM 811 C PRO A 47 4.111 11.716 10.105 1.00 0.00 C ATOM 812 O PRO A 47 3.133 12.441 10.304 1.00 0.00 O ATOM 813 CB PRO A 47 5.751 11.512 11.992 1.00 0.00 C ATOM 814 CG PRO A 47 6.784 10.460 12.226 1.00 0.00 C ATOM 815 CD PRO A 47 6.646 9.502 11.084 1.00 0.00 C ATOM 0 HA PRO A 47 3.705 10.618 11.810 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.158 12.338 11.409 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.397 11.930 12.934 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.784 10.892 12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.624 9.958 13.180 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.213 9.825 10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.002 8.505 11.344 1.00 0.00 H new ATOM 823 N THR A 48 4.755 11.721 8.941 1.00 0.00 N ATOM 824 CA THR A 48 4.307 12.600 7.869 1.00 0.00 C ATOM 825 C THR A 48 4.405 11.911 6.528 1.00 0.00 C ATOM 826 O THR A 48 4.926 10.797 6.447 1.00 0.00 O ATOM 827 CB THR A 48 5.143 13.894 7.810 1.00 0.00 C ATOM 828 OG1 THR A 48 6.539 13.571 7.850 1.00 0.00 O ATOM 829 CG2 THR A 48 4.804 14.832 8.955 1.00 0.00 C ATOM 0 H THR A 48 5.566 11.143 8.720 1.00 0.00 H new ATOM 0 HA THR A 48 3.268 12.850 8.085 1.00 0.00 H new ATOM 0 HB THR A 48 4.906 14.403 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.067 14.396 7.811 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.413 15.733 8.880 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.749 15.102 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.006 14.336 9.904 1.00 0.00 H new ATOM 837 N GLN A 49 3.942 12.595 5.474 1.00 0.00 N ATOM 838 CA GLN A 49 3.998 12.079 4.111 1.00 0.00 C ATOM 839 C GLN A 49 5.413 11.615 3.779 1.00 0.00 C ATOM 840 O GLN A 49 5.597 10.760 2.923 1.00 0.00 O ATOM 841 CB GLN A 49 3.559 13.150 3.108 1.00 0.00 C ATOM 842 CG GLN A 49 3.748 12.740 1.660 1.00 0.00 C ATOM 843 CD GLN A 49 3.672 13.918 0.715 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.613 14.516 0.528 1.00 0.00 O ATOM 845 NE2 GLN A 49 4.805 14.277 0.142 1.00 0.00 N ATOM 0 H GLN A 49 3.519 13.520 5.548 1.00 0.00 H new ATOM 0 HA GLN A 49 3.316 11.231 4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.508 13.384 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.123 14.064 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.714 12.248 1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.985 12.010 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.659 13.751 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.827 15.081 -0.486 1.00 0.00 H new ATOM 854 N GLN A 50 6.388 12.171 4.504 1.00 0.00 N ATOM 855 CA GLN A 50 7.797 11.823 4.359 1.00 0.00 C ATOM 856 C GLN A 50 7.950 10.323 4.138 1.00 0.00 C ATOM 857 O GLN A 50 8.100 9.855 3.008 1.00 0.00 O ATOM 858 CB GLN A 50 8.550 12.243 5.627 1.00 0.00 C ATOM 859 CG GLN A 50 9.993 11.787 5.665 1.00 0.00 C ATOM 860 CD GLN A 50 10.607 11.970 7.039 1.00 0.00 C ATOM 861 OE1 GLN A 50 10.916 13.085 7.452 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.756 10.875 7.767 1.00 0.00 N ATOM 0 H GLN A 50 6.215 12.882 5.214 1.00 0.00 H new ATOM 0 HA GLN A 50 8.211 12.344 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.521 13.329 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.030 11.841 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.050 10.737 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.571 12.349 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.486 9.968 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.140 10.938 8.710 1.00 0.00 H new ATOM 871 N GLN A 51 7.863 9.560 5.208 1.00 0.00 N ATOM 872 CA GLN A 51 7.959 8.134 5.076 1.00 0.00 C ATOM 873 C GLN A 51 6.568 7.515 5.038 1.00 0.00 C ATOM 874 O GLN A 51 6.434 6.319 4.883 1.00 0.00 O ATOM 875 CB GLN A 51 8.847 7.531 6.158 1.00 0.00 C ATOM 876 CG GLN A 51 10.289 8.032 6.079 1.00 0.00 C ATOM 877 CD GLN A 51 11.299 7.095 6.714 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.184 6.723 7.878 1.00 0.00 O ATOM 879 NE2 GLN A 51 12.304 6.712 5.945 1.00 0.00 N ATOM 0 H GLN A 51 7.728 9.902 6.160 1.00 0.00 H new ATOM 0 HA GLN A 51 8.444 7.900 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.435 7.773 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.838 6.445 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.555 8.182 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.353 9.005 6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.364 7.043 4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.019 6.085 6.315 1.00 0.00 H new ATOM 888 N ARG A 52 5.523 8.345 5.121 1.00 0.00 N ATOM 889 CA ARG A 52 4.151 7.836 5.011 1.00 0.00 C ATOM 890 C ARG A 52 3.933 7.454 3.545 1.00 0.00 C ATOM 891 O ARG A 52 3.604 6.312 3.226 1.00 0.00 O ATOM 892 CB ARG A 52 3.110 8.873 5.453 1.00 0.00 C ATOM 893 CG ARG A 52 1.731 8.284 5.692 1.00 0.00 C ATOM 894 CD ARG A 52 0.682 9.350 5.977 1.00 0.00 C ATOM 895 NE ARG A 52 0.951 10.120 7.193 1.00 0.00 N ATOM 896 CZ ARG A 52 0.900 9.633 8.431 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.712 8.343 8.652 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.075 10.440 9.458 1.00 0.00 N ATOM 0 H ARG A 52 5.597 9.353 5.261 1.00 0.00 H new ATOM 0 HA ARG A 52 4.024 6.978 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.454 9.354 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.037 9.650 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.430 7.707 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.776 7.590 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.628 10.032 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.294 8.874 6.066 1.00 0.00 H new ATOM 0 HE ARG A 52 1.196 11.104 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.603 7.702 7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.676 7.989 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.249 11.433 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.037 10.072 10.408 1.00 0.00 H new ATOM 912 N ALA A 53 4.205 8.410 2.654 1.00 0.00 N ATOM 913 CA ALA A 53 4.131 8.178 1.211 1.00 0.00 C ATOM 914 C ALA A 53 5.258 7.244 0.822 1.00 0.00 C ATOM 915 O ALA A 53 5.069 6.335 0.015 1.00 0.00 O ATOM 916 CB ALA A 53 4.241 9.484 0.451 1.00 0.00 C ATOM 0 H ALA A 53 4.480 9.358 2.910 1.00 0.00 H new ATOM 0 HA ALA A 53 3.170 7.730 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.184 9.288 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.425 10.145 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.194 9.960 0.682 1.00 0.00 H new ATOM 922 N ALA A 54 6.428 7.455 1.434 1.00 0.00 N ATOM 923 CA ALA A 54 7.576 6.607 1.163 1.00 0.00 C ATOM 924 C ALA A 54 7.293 5.159 1.555 1.00 0.00 C ATOM 925 O ALA A 54 7.741 4.250 0.879 1.00 0.00 O ATOM 926 CB ALA A 54 8.820 7.107 1.885 1.00 0.00 C ATOM 0 H ALA A 54 6.597 8.199 2.111 1.00 0.00 H new ATOM 0 HA ALA A 54 7.762 6.650 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.660 6.450 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.052 8.119 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.640 7.111 2.960 1.00 0.00 H new ATOM 932 N MET A 55 6.546 4.942 2.645 1.00 0.00 N ATOM 933 CA MET A 55 6.229 3.599 3.095 1.00 0.00 C ATOM 934 C MET A 55 5.250 2.940 2.139 1.00 0.00 C ATOM 935 O MET A 55 5.386 1.768 1.809 1.00 0.00 O ATOM 936 CB MET A 55 5.655 3.645 4.510 1.00 0.00 C ATOM 937 CG MET A 55 5.410 2.271 5.099 1.00 0.00 C ATOM 938 SD MET A 55 6.918 1.285 5.130 1.00 0.00 S ATOM 939 CE MET A 55 6.274 -0.332 5.540 1.00 0.00 C ATOM 0 H MET A 55 6.155 5.684 3.225 1.00 0.00 H new ATOM 0 HA MET A 55 7.143 3.005 3.110 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.341 4.193 5.156 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.717 4.200 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.020 2.373 6.112 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.649 1.754 4.515 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.734 -1.081 4.896 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.500 -0.560 6.581 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.194 -0.341 5.393 1.00 0.00 H new ATOM 949 N LEU A 56 4.287 3.712 1.671 1.00 0.00 N ATOM 950 CA LEU A 56 3.307 3.215 0.725 1.00 0.00 C ATOM 951 C LEU A 56 4.034 2.779 -0.547 1.00 0.00 C ATOM 952 O LEU A 56 3.843 1.672 -1.063 1.00 0.00 O ATOM 953 CB LEU A 56 2.299 4.331 0.412 1.00 0.00 C ATOM 954 CG LEU A 56 0.921 3.873 -0.070 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.148 3.223 1.070 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.143 5.052 -0.628 1.00 0.00 C ATOM 0 H LEU A 56 4.163 4.690 1.932 1.00 0.00 H new ATOM 0 HA LEU A 56 2.769 2.363 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.166 4.936 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.731 4.981 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 56 1.056 3.136 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.830 2.903 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.700 2.358 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.020 3.942 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.836 4.714 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.017 5.805 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.689 5.484 -1.467 1.00 0.00 H new ATOM 968 N ILE A 57 4.890 3.671 -1.019 1.00 0.00 N ATOM 969 CA ILE A 57 5.694 3.456 -2.215 1.00 0.00 C ATOM 970 C ILE A 57 6.796 2.417 -1.960 1.00 0.00 C ATOM 971 O ILE A 57 7.344 1.820 -2.892 1.00 0.00 O ATOM 972 CB ILE A 57 6.255 4.836 -2.690 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.083 5.740 -3.023 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.176 4.741 -3.895 1.00 0.00 C ATOM 975 CD1 ILE A 57 4.108 5.088 -3.964 1.00 0.00 C ATOM 0 H ILE A 57 5.049 4.577 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 57 5.080 3.042 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 57 6.858 5.237 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.567 6.016 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.454 6.662 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.525 5.738 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.031 4.111 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.633 4.306 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.288 5.775 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.615 4.836 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.714 4.180 -3.508 1.00 0.00 H new ATOM 987 N LYS A 58 7.084 2.172 -0.689 1.00 0.00 N ATOM 988 CA LYS A 58 8.084 1.182 -0.302 1.00 0.00 C ATOM 989 C LYS A 58 7.468 -0.214 -0.315 1.00 0.00 C ATOM 990 O LYS A 58 8.138 -1.182 -0.677 1.00 0.00 O ATOM 991 CB LYS A 58 8.684 1.505 1.073 1.00 0.00 C ATOM 992 CG LYS A 58 9.702 0.487 1.563 1.00 0.00 C ATOM 993 CD LYS A 58 10.950 0.465 0.694 1.00 0.00 C ATOM 994 CE LYS A 58 11.708 1.788 0.751 1.00 0.00 C ATOM 995 NZ LYS A 58 12.963 1.744 -0.038 1.00 0.00 N ATOM 0 H LYS A 58 6.638 2.647 0.096 1.00 0.00 H new ATOM 0 HA LYS A 58 8.897 1.212 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.159 2.485 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.877 1.575 1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.980 0.719 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.248 -0.504 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.605 -0.343 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.670 0.251 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.070 2.588 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.940 2.028 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.681 2.342 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.308 0.764 -0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.781 2.095 -1.000 1.00 0.00 H new ATOM 1009 N MET A 59 6.180 -0.313 0.046 1.00 0.00 N ATOM 1010 CA MET A 59 5.494 -1.602 0.020 1.00 0.00 C ATOM 1011 C MET A 59 5.494 -2.110 -1.401 1.00 0.00 C ATOM 1012 O MET A 59 5.947 -3.210 -1.683 1.00 0.00 O ATOM 1013 CB MET A 59 4.031 -1.501 0.467 1.00 0.00 C ATOM 1014 CG MET A 59 3.793 -0.739 1.755 1.00 0.00 C ATOM 1015 SD MET A 59 2.033 -0.601 2.126 1.00 0.00 S ATOM 1016 CE MET A 59 1.403 -0.042 0.538 1.00 0.00 C ATOM 0 H MET A 59 5.606 0.472 0.353 1.00 0.00 H new ATOM 0 HA MET A 59 6.020 -2.266 0.706 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.459 -1.023 -0.328 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.635 -2.510 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.301 -1.244 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.228 0.257 1.675 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.420 0.408 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.085 0.696 0.116 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.322 -0.891 -0.141 1.00 0.00 H new ATOM 1026 N ILE A 60 4.972 -1.266 -2.283 1.00 0.00 N ATOM 1027 CA ILE A 60 4.881 -1.566 -3.705 1.00 0.00 C ATOM 1028 C ILE A 60 6.251 -1.913 -4.287 1.00 0.00 C ATOM 1029 O ILE A 60 6.367 -2.802 -5.132 1.00 0.00 O ATOM 1030 CB ILE A 60 4.307 -0.345 -4.444 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.980 0.066 -3.817 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.120 -0.626 -5.922 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.558 1.464 -4.194 1.00 0.00 C ATOM 0 H ILE A 60 4.599 -0.351 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 60 4.227 -2.429 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 60 5.022 0.472 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.206 -0.637 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.060 -0.003 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.713 0.259 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.082 -0.878 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.431 -1.461 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.606 1.698 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.315 2.175 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.447 1.531 -5.276 1.00 0.00 H new ATOM 1045 N LEU A 61 7.280 -1.207 -3.818 1.00 0.00 N ATOM 1046 CA LEU A 61 8.652 -1.426 -4.274 1.00 0.00 C ATOM 1047 C LEU A 61 9.018 -2.912 -4.234 1.00 0.00 C ATOM 1048 O LEU A 61 9.740 -3.399 -5.101 1.00 0.00 O ATOM 1049 CB LEU A 61 9.622 -0.606 -3.412 1.00 0.00 C ATOM 1050 CG LEU A 61 11.041 -0.427 -3.971 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.682 0.813 -3.367 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.910 -1.646 -3.686 1.00 0.00 C ATOM 0 H LEU A 61 7.187 -0.472 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 61 8.729 -1.096 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.189 0.382 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.697 -1.081 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 61 10.964 -0.312 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.688 0.934 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.084 1.690 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.733 0.705 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.907 -1.486 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.980 -1.799 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.465 -2.526 -4.149 1.00 0.00 H new ATOM 1064 N LYS A 62 8.518 -3.644 -3.242 1.00 0.00 N ATOM 1065 CA LYS A 62 8.824 -5.062 -3.164 1.00 0.00 C ATOM 1066 C LYS A 62 7.568 -5.934 -3.070 1.00 0.00 C ATOM 1067 O LYS A 62 7.583 -6.973 -2.405 1.00 0.00 O ATOM 1068 CB LYS A 62 9.747 -5.347 -1.971 1.00 0.00 C ATOM 1069 CG LYS A 62 9.291 -4.717 -0.666 1.00 0.00 C ATOM 1070 CD LYS A 62 9.568 -5.628 0.525 1.00 0.00 C ATOM 1071 CE LYS A 62 11.033 -6.055 0.596 1.00 0.00 C ATOM 1072 NZ LYS A 62 11.941 -4.940 0.978 1.00 0.00 N ATOM 0 H LYS A 62 7.915 -3.287 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 62 9.332 -5.324 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.822 -6.426 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.748 -4.985 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.802 -3.765 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.224 -4.501 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.297 -5.112 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.936 -6.514 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.136 -6.865 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.339 -6.451 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.921 -5.286 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.867 -4.176 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.671 -4.577 1.914 1.00 0.00 H new ATOM 1086 N LYS A 63 6.494 -5.563 -3.766 1.00 0.00 N ATOM 1087 CA LYS A 63 5.295 -6.383 -3.750 1.00 0.00 C ATOM 1088 C LYS A 63 4.883 -6.753 -5.176 1.00 0.00 C ATOM 1089 O LYS A 63 5.723 -6.780 -6.076 1.00 0.00 O ATOM 1090 CB LYS A 63 4.167 -5.727 -2.934 1.00 0.00 C ATOM 1091 CG LYS A 63 4.416 -5.855 -1.429 1.00 0.00 C ATOM 1092 CD LYS A 63 3.276 -5.329 -0.567 1.00 0.00 C ATOM 1093 CE LYS A 63 3.617 -5.475 0.916 1.00 0.00 C ATOM 1094 NZ LYS A 63 2.520 -5.044 1.825 1.00 0.00 N ATOM 0 H LYS A 63 6.433 -4.718 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 63 5.516 -7.318 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.088 -4.674 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.215 -6.193 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.587 -6.904 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.329 -5.316 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.088 -4.281 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.360 -5.876 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.861 -6.517 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.510 -4.889 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.819 -5.170 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.301 -4.042 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.673 -5.619 1.644 1.00 0.00 H new ATOM 1108 N ASP A 64 3.624 -7.092 -5.383 1.00 0.00 N ATOM 1109 CA ASP A 64 3.162 -7.528 -6.707 1.00 0.00 C ATOM 1110 C ASP A 64 2.471 -6.430 -7.482 1.00 0.00 C ATOM 1111 O ASP A 64 1.906 -5.495 -6.910 1.00 0.00 O ATOM 1112 CB ASP A 64 2.220 -8.725 -6.583 1.00 0.00 C ATOM 1113 CG ASP A 64 2.810 -9.845 -5.755 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.819 -9.731 -4.515 1.00 0.00 O ATOM 1115 OD2 ASP A 64 3.289 -10.829 -6.345 1.00 0.00 O ATOM 0 H ASP A 64 2.901 -7.077 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 64 4.057 -7.811 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.282 -8.400 -6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.982 -9.100 -7.578 1.00 0.00 H new ATOM 1120 N ASN A 65 2.508 -6.572 -8.808 1.00 0.00 N ATOM 1121 CA ASN A 65 1.881 -5.614 -9.702 1.00 0.00 C ATOM 1122 C ASN A 65 0.383 -5.572 -9.453 1.00 0.00 C ATOM 1123 O ASN A 65 -0.263 -4.583 -9.757 1.00 0.00 O ATOM 1124 CB ASN A 65 2.184 -5.938 -11.177 1.00 0.00 C ATOM 1125 CG ASN A 65 1.523 -7.211 -11.678 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.300 -7.295 -11.786 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.330 -8.214 -11.990 1.00 0.00 N ATOM 0 H ASN A 65 2.970 -7.348 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 65 2.299 -4.629 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.857 -5.103 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.263 -6.026 -11.305 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.942 -9.093 -12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.339 -8.107 -11.887 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.158 -6.636 -8.868 1.00 0.00 N ATOM 1135 CA ASP A 66 -1.578 -6.688 -8.549 1.00 0.00 C ATOM 1136 C ASP A 66 -1.927 -5.538 -7.601 1.00 0.00 C ATOM 1137 O ASP A 66 -2.892 -4.805 -7.824 1.00 0.00 O ATOM 1138 CB ASP A 66 -1.933 -8.041 -7.924 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.428 -8.269 -7.849 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.111 -8.078 -8.875 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -3.924 -8.676 -6.777 1.00 0.00 O ATOM 0 H ASP A 66 0.365 -7.472 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.161 -6.579 -9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.476 -8.839 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.509 -8.097 -6.921 1.00 0.00 H new ATOM 1146 N SER A 67 -1.102 -5.344 -6.572 1.00 0.00 N ATOM 1147 CA SER A 67 -1.308 -4.247 -5.631 1.00 0.00 C ATOM 1148 C SER A 67 -0.959 -2.941 -6.302 1.00 0.00 C ATOM 1149 O SER A 67 -1.477 -1.887 -5.955 1.00 0.00 O ATOM 1150 CB SER A 67 -0.419 -4.389 -4.409 1.00 0.00 C ATOM 1151 OG SER A 67 -0.005 -5.731 -4.223 1.00 0.00 O ATOM 0 H SER A 67 -0.291 -5.929 -6.371 1.00 0.00 H new ATOM 0 HA SER A 67 -2.353 -4.269 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.456 -3.749 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.956 -4.047 -3.525 1.00 0.00 H new ATOM 0 HG SER A 67 0.567 -5.790 -3.430 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.063 -3.030 -7.260 1.00 0.00 N ATOM 1158 CA TYR A 68 0.385 -1.875 -8.002 1.00 0.00 C ATOM 1159 C TYR A 68 -0.747 -1.342 -8.867 1.00 0.00 C ATOM 1160 O TYR A 68 -0.930 -0.136 -8.967 1.00 0.00 O ATOM 1161 CB TYR A 68 1.598 -2.254 -8.844 1.00 0.00 C ATOM 1162 CG TYR A 68 2.184 -1.123 -9.638 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.361 0.137 -9.077 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.572 -1.315 -10.949 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.915 1.166 -9.808 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.130 -0.292 -11.683 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.294 0.944 -11.111 1.00 0.00 C ATOM 1168 OH TYR A 68 3.857 1.953 -11.842 1.00 0.00 O ATOM 0 H TYR A 68 0.375 -3.906 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 68 0.679 -1.083 -7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.369 -2.657 -8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.313 -3.053 -9.529 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.060 0.312 -8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.436 -2.284 -11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.050 2.140 -9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.437 -0.462 -12.704 1.00 0.00 H new ATOM 0 HH TYR A 68 4.761 1.693 -12.117 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.528 -2.241 -9.461 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.661 -1.816 -10.270 1.00 0.00 C ATOM 1180 C VAL A 69 -3.734 -1.257 -9.336 1.00 0.00 C ATOM 1181 O VAL A 69 -4.477 -0.341 -9.695 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.244 -2.939 -11.160 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.150 -2.343 -12.225 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.138 -3.738 -11.823 1.00 0.00 C ATOM 0 H VAL A 69 -1.399 -3.251 -9.398 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.309 -1.052 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.822 -3.609 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.555 -3.142 -12.846 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.968 -1.804 -11.747 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.577 -1.655 -12.847 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.576 -4.521 -12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.535 -3.077 -12.446 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.508 -4.191 -11.058 1.00 0.00 H new ATOM 1194 N SER A 70 -3.763 -1.765 -8.103 1.00 0.00 N ATOM 1195 CA SER A 70 -4.688 -1.256 -7.096 1.00 0.00 C ATOM 1196 C SER A 70 -4.224 0.146 -6.715 1.00 0.00 C ATOM 1197 O SER A 70 -5.001 1.100 -6.770 1.00 0.00 O ATOM 1198 CB SER A 70 -4.720 -2.167 -5.869 1.00 0.00 C ATOM 1199 OG SER A 70 -5.539 -1.624 -4.848 1.00 0.00 O ATOM 0 H SER A 70 -3.161 -2.523 -7.782 1.00 0.00 H new ATOM 0 HA SER A 70 -5.701 -1.228 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.093 -3.151 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.707 -2.307 -5.490 1.00 0.00 H new ATOM 0 HG SER A 70 -5.905 -2.350 -4.302 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.931 0.270 -6.379 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.344 1.576 -6.054 1.00 0.00 C ATOM 1207 C PHE A 71 -2.605 2.547 -7.219 1.00 0.00 C ATOM 1208 O PHE A 71 -2.957 3.709 -7.021 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.837 1.433 -5.788 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.071 2.715 -5.923 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.279 3.774 -5.052 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.870 2.847 -6.925 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.436 4.949 -5.191 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.588 4.014 -7.070 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.376 5.066 -6.201 1.00 0.00 C ATOM 0 H PHE A 71 -2.278 -0.512 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.806 1.971 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.692 1.039 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.424 0.700 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.006 3.680 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.045 2.025 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.262 5.773 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.316 4.106 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.943 5.979 -6.309 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.465 2.017 -8.433 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.709 2.760 -9.670 1.00 0.00 C ATOM 1227 C TYR A 72 -4.123 3.331 -9.659 1.00 0.00 C ATOM 1228 O TYR A 72 -4.344 4.519 -9.902 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.542 1.797 -10.851 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.947 2.348 -12.198 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.113 3.206 -12.902 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.153 1.980 -12.787 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.478 3.696 -14.143 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.521 2.464 -14.028 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.676 3.318 -14.703 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.033 3.801 -15.942 1.00 0.00 O ATOM 0 H TYR A 72 -2.176 1.051 -8.588 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.003 3.585 -9.759 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.498 1.489 -10.902 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.129 0.900 -10.653 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.165 3.495 -12.474 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.813 1.304 -12.265 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.824 4.374 -14.671 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.465 2.175 -14.466 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.907 3.438 -16.195 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.068 2.454 -9.354 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.483 2.805 -9.270 1.00 0.00 C ATOM 1248 C ASN A 73 -6.723 3.874 -8.201 1.00 0.00 C ATOM 1249 O ASN A 73 -7.573 4.752 -8.364 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.296 1.537 -8.969 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.730 1.822 -8.570 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.480 2.466 -9.302 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.114 1.334 -7.405 1.00 0.00 N ATOM 0 H ASN A 73 -4.876 1.472 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.805 3.224 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.293 0.895 -9.850 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.807 0.983 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.068 1.485 -7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.456 0.806 -6.832 1.00 0.00 H new ATOM 1260 N ALA A 74 -5.957 3.809 -7.115 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.080 4.779 -6.032 1.00 0.00 C ATOM 1262 C ALA A 74 -5.617 6.162 -6.488 1.00 0.00 C ATOM 1263 O ALA A 74 -6.160 7.183 -6.056 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.292 4.323 -4.818 1.00 0.00 C ATOM 0 H ALA A 74 -5.245 3.095 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.131 4.849 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.395 5.058 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.674 3.361 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.240 4.222 -5.084 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.637 6.190 -7.387 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.131 7.445 -7.926 1.00 0.00 C ATOM 1272 C LEU A 75 -5.221 8.107 -8.759 1.00 0.00 C ATOM 1273 O LEU A 75 -5.409 9.323 -8.709 1.00 0.00 O ATOM 1274 CB LEU A 75 -2.876 7.210 -8.777 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.624 6.754 -8.009 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.529 6.335 -8.976 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.122 7.862 -7.090 1.00 0.00 C ATOM 0 H LEU A 75 -4.179 5.357 -7.756 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.854 8.100 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.108 6.461 -9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.639 8.134 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.895 5.894 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.349 6.015 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.885 5.510 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.265 7.178 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.236 7.518 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.870 8.741 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.901 8.120 -6.372 1.00 0.00 H new ATOM 1289 N LEU A 76 -5.962 7.287 -9.503 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.062 7.786 -10.323 1.00 0.00 C ATOM 1291 C LEU A 76 -8.250 8.174 -9.448 1.00 0.00 C ATOM 1292 O LEU A 76 -9.196 8.811 -9.917 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.510 6.740 -11.357 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.720 6.717 -12.669 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.287 6.249 -12.442 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.427 5.827 -13.682 1.00 0.00 C ATOM 0 H LEU A 76 -5.821 6.278 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.699 8.666 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.445 5.753 -10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.560 6.915 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.674 7.732 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.751 6.243 -13.391 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.789 6.926 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.295 5.242 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.861 5.814 -14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.500 4.813 -13.288 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.428 6.215 -13.871 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.199 7.774 -8.181 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.262 8.064 -7.240 1.00 0.00 C ATOM 1310 C HIS A 77 -9.097 9.432 -6.589 1.00 0.00 C ATOM 1311 O HIS A 77 -10.086 10.088 -6.262 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.324 6.978 -6.161 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.520 6.097 -6.285 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.809 6.572 -6.220 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -10.620 4.764 -6.476 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.653 5.571 -6.365 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -11.956 4.463 -6.522 1.00 0.00 N ATOM 0 H HIS A 77 -7.423 7.244 -7.785 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.196 8.077 -7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.423 6.367 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.329 7.450 -5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.801 4.067 -6.574 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.730 5.645 -6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.348 3.531 -6.656 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.857 9.858 -6.373 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.626 11.142 -5.718 1.00 0.00 C ATOM 1328 C GLU A 78 -6.933 12.190 -6.608 1.00 0.00 C ATOM 1329 O GLU A 78 -6.117 12.980 -6.131 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.855 10.933 -4.417 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.614 10.090 -3.402 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.976 10.672 -3.064 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.033 11.841 -2.636 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.996 9.961 -3.226 1.00 0.00 O ATOM 0 H GLU A 78 -7.014 9.347 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.611 11.557 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.902 10.453 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.627 11.904 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.741 9.081 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.023 10.005 -2.490 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.325 12.239 -7.875 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.806 13.247 -8.795 1.00 0.00 C ATOM 1343 C GLY A 79 -5.333 13.128 -9.188 1.00 0.00 C ATOM 1344 O GLY A 79 -4.706 14.138 -9.506 1.00 0.00 O ATOM 0 H GLY A 79 -7.999 11.595 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.404 13.216 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.960 14.228 -8.346 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.773 11.926 -9.209 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.378 11.755 -9.620 1.00 0.00 C ATOM 1350 C TYR A 80 -3.312 10.758 -10.768 1.00 0.00 C ATOM 1351 O TYR A 80 -2.545 9.788 -10.753 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.502 11.308 -8.446 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.449 12.322 -7.326 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.754 13.516 -7.476 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.113 12.098 -6.130 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.720 14.454 -6.462 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.087 13.032 -5.114 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.388 14.205 -5.283 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.370 15.138 -4.272 1.00 0.00 O ATOM 0 H TYR A 80 -5.252 11.063 -8.951 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.988 12.715 -9.959 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.882 10.364 -8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.491 11.120 -8.806 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.232 13.714 -8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.660 11.177 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.173 15.376 -6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.613 12.843 -4.190 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.683 15.811 -4.460 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.153 11.012 -11.761 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.260 10.166 -12.937 1.00 0.00 C ATOM 1371 C LYS A 81 -3.071 10.341 -13.875 1.00 0.00 C ATOM 1372 O LYS A 81 -2.777 9.451 -14.667 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.567 10.474 -13.677 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.801 10.298 -12.809 1.00 0.00 C ATOM 1375 CD LYS A 81 -8.086 10.670 -13.537 1.00 0.00 C ATOM 1376 CE LYS A 81 -8.197 12.176 -13.779 1.00 0.00 C ATOM 1377 NZ LYS A 81 -7.599 12.594 -15.075 1.00 0.00 N ATOM 0 H LYS A 81 -4.782 11.815 -11.772 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.261 9.128 -12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.534 11.498 -14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.647 9.822 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.863 9.262 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.703 10.914 -11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.125 10.146 -14.492 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.943 10.333 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.247 12.467 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.702 12.708 -12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.953 13.393 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.071 11.798 -15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.354 12.883 -15.729 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.386 11.478 -13.791 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.231 11.721 -14.657 1.00 0.00 C ATOM 1393 C ASP A 82 -0.018 10.932 -14.188 1.00 0.00 C ATOM 1394 O ASP A 82 0.682 10.340 -15.005 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.906 13.212 -14.761 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.821 13.938 -15.734 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.790 13.321 -16.228 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -1.577 15.128 -16.012 1.00 0.00 O ATOM 0 H ASP A 82 -2.604 12.236 -13.144 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.496 11.373 -15.655 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.992 13.669 -13.775 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.129 13.334 -15.080 1.00 0.00 H new ATOM 1403 N LEU A 83 0.216 10.892 -12.881 1.00 0.00 N ATOM 1404 CA LEU A 83 1.337 10.121 -12.349 1.00 0.00 C ATOM 1405 C LEU A 83 1.086 8.655 -12.674 1.00 0.00 C ATOM 1406 O LEU A 83 1.968 7.947 -13.147 1.00 0.00 O ATOM 1407 CB LEU A 83 1.465 10.311 -10.831 1.00 0.00 C ATOM 1408 CG LEU A 83 2.879 10.138 -10.225 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.455 8.748 -10.474 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.838 11.191 -10.758 1.00 0.00 C ATOM 0 H LEU A 83 -0.344 11.375 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 83 2.269 10.463 -12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.108 11.310 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.796 9.603 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 83 2.766 10.266 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.447 8.680 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.804 7.998 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.526 8.571 -11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.823 11.044 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.911 11.101 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.468 12.184 -10.500 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.147 8.222 -12.443 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.543 6.848 -12.737 1.00 0.00 C ATOM 1424 C ALA A 84 -0.428 6.560 -14.230 1.00 0.00 C ATOM 1425 O ALA A 84 -0.078 5.454 -14.626 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.955 6.602 -12.259 1.00 0.00 C ATOM 0 H ALA A 84 -0.891 8.801 -12.053 1.00 0.00 H new ATOM 0 HA ALA A 84 0.130 6.173 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.241 5.574 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.009 6.767 -11.183 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.635 7.287 -12.766 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.700 7.563 -15.068 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.585 7.392 -16.515 1.00 0.00 C ATOM 1434 C ALA A 85 0.867 7.131 -16.874 1.00 0.00 C ATOM 1435 O ALA A 85 1.169 6.336 -17.764 1.00 0.00 O ATOM 1436 CB ALA A 85 -1.119 8.611 -17.259 1.00 0.00 C ATOM 0 H ALA A 85 -0.998 8.492 -14.772 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.190 6.538 -16.820 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.020 8.454 -18.333 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.170 8.758 -17.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.550 9.494 -16.967 1.00 0.00 H new ATOM 1442 N LEU A 86 1.765 7.766 -16.124 1.00 0.00 N ATOM 1443 CA LEU A 86 3.196 7.572 -16.300 1.00 0.00 C ATOM 1444 C LEU A 86 3.552 6.123 -15.985 1.00 0.00 C ATOM 1445 O LEU A 86 4.561 5.596 -16.451 1.00 0.00 O ATOM 1446 CB LEU A 86 3.974 8.496 -15.355 1.00 0.00 C ATOM 1447 CG LEU A 86 4.033 9.959 -15.765 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.311 10.842 -14.554 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.112 10.142 -16.811 1.00 0.00 C ATOM 0 H LEU A 86 1.521 8.424 -15.384 1.00 0.00 H new ATOM 0 HA LEU A 86 3.461 7.806 -17.331 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.525 8.433 -14.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.994 8.121 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 86 3.071 10.253 -16.184 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.350 11.886 -14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.517 10.712 -13.819 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.266 10.560 -14.110 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.157 11.190 -17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.074 9.840 -16.398 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.882 9.528 -17.682 1.00 0.00 H new ATOM 1461 N LEU A 87 2.708 5.497 -15.165 1.00 0.00 N ATOM 1462 CA LEU A 87 2.907 4.122 -14.736 1.00 0.00 C ATOM 1463 C LEU A 87 2.122 3.153 -15.609 1.00 0.00 C ATOM 1464 O LEU A 87 2.382 1.947 -15.606 1.00 0.00 O ATOM 1465 CB LEU A 87 2.456 3.956 -13.291 1.00 0.00 C ATOM 1466 CG LEU A 87 2.758 5.122 -12.349 1.00 0.00 C ATOM 1467 CD1 LEU A 87 2.518 4.706 -10.905 1.00 0.00 C ATOM 1468 CD2 LEU A 87 4.186 5.606 -12.524 1.00 0.00 C ATOM 0 H LEU A 87 1.869 5.933 -14.782 1.00 0.00 H new ATOM 0 HA LEU A 87 3.970 3.898 -14.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.380 3.782 -13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.926 3.059 -12.887 1.00 0.00 H new ATOM 0 HG LEU A 87 2.087 5.944 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.736 5.544 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.477 4.407 -10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.168 3.868 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.375 6.436 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.876 4.791 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.334 5.939 -13.551 1.00 0.00 H new ATOM 1480 N HIS A 88 1.158 3.690 -16.353 1.00 0.00 N ATOM 1481 CA HIS A 88 0.311 2.894 -17.241 1.00 0.00 C ATOM 1482 C HIS A 88 1.161 2.240 -18.321 1.00 0.00 C ATOM 1483 O HIS A 88 0.739 1.281 -18.963 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.764 3.776 -17.883 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.996 3.019 -18.294 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.985 3.560 -19.083 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.410 1.763 -17.995 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.948 2.674 -19.258 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.623 1.574 -18.606 1.00 0.00 N ATOM 0 H HIS A 88 0.941 4.687 -16.358 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.179 2.117 -16.654 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.047 4.560 -17.180 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.342 4.270 -18.758 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.881 1.044 -17.387 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.848 2.824 -19.836 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.183 0.722 -18.563 1.00 0.00 H new ATOM 1498 N ASP A 89 2.373 2.762 -18.479 1.00 0.00 N ATOM 1499 CA ASP A 89 3.330 2.236 -19.450 1.00 0.00 C ATOM 1500 C ASP A 89 3.751 0.826 -19.056 1.00 0.00 C ATOM 1501 O ASP A 89 4.155 0.017 -19.891 1.00 0.00 O ATOM 1502 CB ASP A 89 4.557 3.152 -19.535 1.00 0.00 C ATOM 1503 CG ASP A 89 5.565 2.694 -20.573 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.227 2.706 -21.777 1.00 0.00 O ATOM 1505 OD2 ASP A 89 6.699 2.326 -20.195 1.00 0.00 O ATOM 0 H ASP A 89 2.719 3.557 -17.942 1.00 0.00 H new ATOM 0 HA ASP A 89 2.854 2.200 -20.430 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.232 4.165 -19.773 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.041 3.194 -18.559 1.00 0.00 H new ATOM 1510 N GLY A 90 3.634 0.546 -17.767 1.00 0.00 N ATOM 1511 CA GLY A 90 3.983 -0.756 -17.251 1.00 0.00 C ATOM 1512 C GLY A 90 2.763 -1.579 -16.889 1.00 0.00 C ATOM 1513 O GLY A 90 2.846 -2.798 -16.766 1.00 0.00 O ATOM 0 H GLY A 90 3.300 1.206 -17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.573 -1.293 -17.994 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.613 -0.638 -16.369 1.00 0.00 H new ATOM 1517 N ILE A 91 1.623 -0.916 -16.717 1.00 0.00 N ATOM 1518 CA ILE A 91 0.386 -1.601 -16.374 1.00 0.00 C ATOM 1519 C ILE A 91 -0.182 -2.301 -17.609 1.00 0.00 C ATOM 1520 O ILE A 91 -0.575 -1.645 -18.574 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.666 -0.615 -15.809 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.085 0.178 -14.631 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.925 -1.359 -15.380 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.365 -0.685 -13.473 1.00 0.00 C ATOM 0 H ILE A 91 1.533 0.096 -16.810 1.00 0.00 H new ATOM 0 HA ILE A 91 0.614 -2.338 -15.604 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.934 0.087 -16.599 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.762 0.766 -14.984 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.836 0.883 -14.275 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.651 -0.648 -14.986 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.353 -1.876 -16.239 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.673 -2.086 -14.608 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.763 -0.052 -12.680 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.483 -1.253 -13.092 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.140 -1.373 -13.811 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.219 -3.646 -17.600 1.00 0.00 N ATOM 1537 CA PRO A 92 -0.732 -4.434 -18.726 1.00 0.00 C ATOM 1538 C PRO A 92 -2.244 -4.284 -18.909 1.00 0.00 C ATOM 1539 O PRO A 92 -2.809 -4.762 -19.892 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.376 -5.882 -18.352 1.00 0.00 C ATOM 1541 CG PRO A 92 0.593 -5.776 -17.223 1.00 0.00 C ATOM 1542 CD PRO A 92 0.248 -4.509 -16.506 1.00 0.00 C ATOM 0 HA PRO A 92 -0.300 -4.108 -19.672 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.264 -6.440 -18.056 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.064 -6.409 -19.199 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.513 -6.636 -16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.619 -5.751 -17.590 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.525 -4.665 -15.753 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.111 -4.084 -15.993 1.00 0.00 H new