USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 36 ASN : amide:sc= -23.2! C(o=-23!,f=-23!) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= -0.05 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 14 ASN : amide:sc= -5.5! C(o=-5.5!,f=-4.4!) USER MOD Single : A 2 ASN : amide:sc= -0.478! X(o=-0.48!,f=-0.19) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= -5.42! (180deg=-8.82!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.122 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -1.67! (180deg=-1.86) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 27 SER OG : rot 167:sc= -7.58! USER MOD Single : A 28 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.469 (180deg=-1.93!) USER MOD Single : A 49 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.22) USER MOD Single : A 58 HIS : no HD1:sc= -1.02! K(o=-1!,f=-0.022) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.695) USER MOD Single : A 64 GLN : amide:sc= -13.5! C(o=-14!,f=-7.1!) USER MOD Single : A 65 SER OG : rot 180:sc= -1.04! USER MOD Single : A 72 TYR OH : rot 114:sc= 0.548 USER MOD Single : A 75 GLN : amide:sc= 0.0704 X(o=0.07,f=-0.38) USER MOD Single : A 76 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.13) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0399) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.532 -7.197 11.859 1.00 0.00 N ATOM 21 CA ASN A 2 -2.747 -6.051 12.306 1.00 0.00 C ATOM 22 C ASN A 2 -1.530 -5.836 11.416 1.00 0.00 C ATOM 23 O ASN A 2 -1.069 -4.710 11.237 1.00 0.00 O ATOM 24 CB ASN A 2 -2.301 -6.237 13.757 1.00 0.00 C ATOM 25 CG ASN A 2 -3.470 -6.309 14.718 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.286 -6.382 15.934 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.683 -6.289 14.178 1.00 0.00 N ATOM 0 HA ASN A 2 -3.384 -5.169 12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.711 -7.150 13.838 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.650 -5.411 14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.508 -6.335 14.776 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.790 -6.228 13.165 1.00 0.00 H new ATOM 34 N ASP A 3 -1.007 -6.926 10.873 1.00 0.00 N ATOM 35 CA ASP A 3 0.170 -6.865 10.014 1.00 0.00 C ATOM 36 C ASP A 3 -0.007 -5.834 8.905 1.00 0.00 C ATOM 37 O ASP A 3 0.959 -5.219 8.455 1.00 0.00 O ATOM 38 CB ASP A 3 0.453 -8.240 9.406 1.00 0.00 C ATOM 39 CG ASP A 3 -0.682 -8.727 8.526 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.788 -8.958 9.058 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.465 -8.879 7.306 1.00 0.00 O ATOM 0 H ASP A 3 -1.379 -7.866 11.012 1.00 0.00 H new ATOM 0 HA ASP A 3 1.017 -6.562 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.370 -8.193 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.624 -8.960 10.206 1.00 0.00 H new ATOM 46 N VAL A 4 -1.245 -5.652 8.466 1.00 0.00 N ATOM 47 CA VAL A 4 -1.548 -4.696 7.408 1.00 0.00 C ATOM 48 C VAL A 4 -1.411 -3.256 7.894 1.00 0.00 C ATOM 49 O VAL A 4 -0.762 -2.436 7.250 1.00 0.00 O ATOM 50 CB VAL A 4 -2.966 -4.905 6.844 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.087 -6.278 6.202 1.00 0.00 C ATOM 52 CG2 VAL A 4 -4.012 -4.724 7.934 1.00 0.00 C ATOM 0 H VAL A 4 -2.057 -6.154 8.826 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.820 -4.874 6.616 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.144 -4.152 6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.095 -6.408 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.367 -6.364 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.886 -7.047 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.006 -4.876 7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.839 -5.450 8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.941 -3.716 8.342 1.00 0.00 H new ATOM 62 N LEU A 5 -2.033 -2.951 9.027 1.00 0.00 N ATOM 63 CA LEU A 5 -1.988 -1.609 9.594 1.00 0.00 C ATOM 64 C LEU A 5 -0.588 -1.250 10.076 1.00 0.00 C ATOM 65 O LEU A 5 -0.172 -0.097 10.006 1.00 0.00 O ATOM 66 CB LEU A 5 -2.980 -1.489 10.750 1.00 0.00 C ATOM 67 CG LEU A 5 -4.156 -0.543 10.499 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.343 -1.306 9.931 1.00 0.00 C ATOM 69 CD2 LEU A 5 -4.545 0.173 11.783 1.00 0.00 C ATOM 0 H LEU A 5 -2.577 -3.619 9.573 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.264 -0.909 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.373 -2.480 10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.443 -1.149 11.636 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.848 0.204 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.170 -0.617 9.759 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.058 -1.773 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.653 -2.075 10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.383 0.842 11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.835 -0.561 12.535 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.697 0.752 12.148 1.00 0.00 H new ATOM 81 N THR A 6 0.123 -2.242 10.583 1.00 0.00 N ATOM 82 CA THR A 6 1.471 -2.034 11.101 1.00 0.00 C ATOM 83 C THR A 6 2.432 -1.561 10.016 1.00 0.00 C ATOM 84 O THR A 6 3.066 -0.514 10.145 1.00 0.00 O ATOM 85 CB THR A 6 1.997 -3.322 11.731 1.00 0.00 C ATOM 86 OG1 THR A 6 3.413 -3.328 11.755 1.00 0.00 O ATOM 87 CG2 THR A 6 1.543 -4.564 11.002 1.00 0.00 C ATOM 0 H THR A 6 -0.209 -3.204 10.649 1.00 0.00 H new ATOM 0 HA THR A 6 1.412 -1.252 11.858 1.00 0.00 H new ATOM 0 HB THR A 6 1.589 -3.341 12.742 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.730 -4.161 12.164 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.949 -5.446 11.498 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.454 -4.613 11.010 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.897 -4.531 9.972 1.00 0.00 H new ATOM 95 N ARG A 7 2.543 -2.348 8.958 1.00 0.00 N ATOM 96 CA ARG A 7 3.433 -2.033 7.851 1.00 0.00 C ATOM 97 C ARG A 7 2.836 -0.956 6.956 1.00 0.00 C ATOM 98 O ARG A 7 3.529 -0.034 6.526 1.00 0.00 O ATOM 99 CB ARG A 7 3.725 -3.290 7.032 1.00 0.00 C ATOM 100 CG ARG A 7 3.235 -3.207 5.595 1.00 0.00 C ATOM 101 CD ARG A 7 4.259 -2.535 4.695 1.00 0.00 C ATOM 102 NE ARG A 7 5.157 -3.502 4.070 1.00 0.00 N ATOM 103 CZ ARG A 7 6.453 -3.284 3.874 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.999 -2.136 4.255 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.205 -4.213 3.299 1.00 0.00 N ATOM 0 H ARG A 7 2.023 -3.218 8.842 1.00 0.00 H new ATOM 0 HA ARG A 7 4.366 -1.653 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.800 -3.471 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.258 -4.147 7.518 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.024 -4.210 5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.298 -2.651 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.744 -1.966 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.843 -1.823 5.279 1.00 0.00 H new ATOM 0 HE ARG A 7 4.768 -4.395 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.424 -1.420 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.994 -1.970 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.789 -5.097 3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.200 -4.043 3.150 1.00 0.00 H new ATOM 119 N VAL A 8 1.548 -1.088 6.670 1.00 0.00 N ATOM 120 CA VAL A 8 0.857 -0.136 5.816 1.00 0.00 C ATOM 121 C VAL A 8 0.797 1.245 6.461 1.00 0.00 C ATOM 122 O VAL A 8 1.143 2.248 5.837 1.00 0.00 O ATOM 123 CB VAL A 8 -0.574 -0.605 5.492 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.550 -0.120 6.552 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.994 -0.125 4.111 1.00 0.00 C ATOM 0 H VAL A 8 0.961 -1.846 7.018 1.00 0.00 H new ATOM 0 HA VAL A 8 1.428 -0.073 4.890 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.587 -1.695 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.555 -0.462 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.260 -0.519 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.536 0.969 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.008 -0.466 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.964 0.964 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.312 -0.529 3.363 1.00 0.00 H new ATOM 135 N LEU A 9 0.356 1.288 7.713 1.00 0.00 N ATOM 136 CA LEU A 9 0.251 2.545 8.446 1.00 0.00 C ATOM 137 C LEU A 9 1.626 3.174 8.648 1.00 0.00 C ATOM 138 O LEU A 9 1.804 4.376 8.456 1.00 0.00 O ATOM 139 CB LEU A 9 -0.416 2.314 9.804 1.00 0.00 C ATOM 140 CG LEU A 9 0.542 1.955 10.942 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.275 3.193 11.432 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.214 1.293 12.084 1.00 0.00 C ATOM 0 H LEU A 9 0.065 0.466 8.243 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.361 3.228 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.964 3.215 10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.149 1.514 9.700 1.00 0.00 H new ATOM 0 HG LEU A 9 1.280 1.248 10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.952 2.919 12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.847 3.626 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.552 3.924 11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.482 1.044 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.973 1.977 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.693 0.383 11.724 1.00 0.00 H new ATOM 154 N GLU A 10 2.592 2.350 9.035 1.00 0.00 N ATOM 155 CA GLU A 10 3.953 2.815 9.263 1.00 0.00 C ATOM 156 C GLU A 10 4.579 3.303 7.966 1.00 0.00 C ATOM 157 O GLU A 10 5.392 4.225 7.957 1.00 0.00 O ATOM 158 CB GLU A 10 4.808 1.697 9.860 1.00 0.00 C ATOM 159 CG GLU A 10 5.159 0.607 8.861 1.00 0.00 C ATOM 160 CD GLU A 10 6.656 0.458 8.664 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.276 1.385 8.103 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.207 -0.587 9.072 1.00 0.00 O ATOM 0 H GLU A 10 2.456 1.352 9.198 1.00 0.00 H new ATOM 0 HA GLU A 10 3.912 3.646 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.728 2.126 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.275 1.252 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.745 -0.341 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.691 0.832 7.903 1.00 0.00 H new ATOM 169 N VAL A 11 4.197 2.659 6.877 1.00 0.00 N ATOM 170 CA VAL A 11 4.717 2.996 5.561 1.00 0.00 C ATOM 171 C VAL A 11 4.435 4.447 5.197 1.00 0.00 C ATOM 172 O VAL A 11 5.342 5.197 4.836 1.00 0.00 O ATOM 173 CB VAL A 11 4.121 2.081 4.489 1.00 0.00 C ATOM 174 CG1 VAL A 11 3.894 2.844 3.194 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.012 0.870 4.264 1.00 0.00 C ATOM 0 H VAL A 11 3.523 1.893 6.878 1.00 0.00 H new ATOM 0 HA VAL A 11 5.797 2.853 5.601 1.00 0.00 H new ATOM 0 HB VAL A 11 3.152 1.725 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.470 2.174 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.205 3.669 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.844 3.237 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.571 0.231 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.998 1.200 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.106 0.309 5.194 1.00 0.00 H new ATOM 185 N VAL A 12 3.174 4.830 5.293 1.00 0.00 N ATOM 186 CA VAL A 12 2.761 6.193 4.972 1.00 0.00 C ATOM 187 C VAL A 12 3.289 7.186 6.002 1.00 0.00 C ATOM 188 O VAL A 12 3.865 8.219 5.650 1.00 0.00 O ATOM 189 CB VAL A 12 1.227 6.313 4.902 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.602 4.973 4.545 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.672 6.836 6.218 1.00 0.00 C ATOM 0 H VAL A 12 2.414 4.218 5.591 1.00 0.00 H new ATOM 0 HA VAL A 12 3.183 6.428 3.995 1.00 0.00 H new ATOM 0 HB VAL A 12 0.972 7.026 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.482 5.078 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.975 4.644 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.864 4.236 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.413 6.914 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.937 6.150 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.094 7.819 6.426 1.00 0.00 H new ATOM 201 N LYS A 13 3.094 6.867 7.277 1.00 0.00 N ATOM 202 CA LYS A 13 3.550 7.732 8.356 1.00 0.00 C ATOM 203 C LYS A 13 5.034 8.044 8.207 1.00 0.00 C ATOM 204 O LYS A 13 5.445 9.202 8.276 1.00 0.00 O ATOM 205 CB LYS A 13 3.288 7.071 9.711 1.00 0.00 C ATOM 206 CG LYS A 13 4.287 5.980 10.057 1.00 0.00 C ATOM 207 CD LYS A 13 3.937 5.300 11.371 1.00 0.00 C ATOM 208 CE LYS A 13 3.932 6.289 12.525 1.00 0.00 C ATOM 209 NZ LYS A 13 5.180 6.209 13.332 1.00 0.00 N ATOM 0 H LYS A 13 2.624 6.017 7.587 1.00 0.00 H new ATOM 0 HA LYS A 13 2.993 8.667 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.312 7.834 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.284 6.647 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.310 5.239 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.287 6.409 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.957 4.830 11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.656 4.506 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.816 7.300 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.072 6.094 13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.136 6.899 14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.278 5.251 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.999 6.420 12.727 1.00 0.00 H new ATOM 223 N ASN A 14 5.833 7.002 7.998 1.00 0.00 N ATOM 224 CA ASN A 14 7.267 7.165 7.836 1.00 0.00 C ATOM 225 C ASN A 14 7.613 7.521 6.395 1.00 0.00 C ATOM 226 O ASN A 14 8.776 7.755 6.065 1.00 0.00 O ATOM 227 CB ASN A 14 7.998 5.886 8.248 1.00 0.00 C ATOM 228 CG ASN A 14 7.520 5.350 9.583 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.660 6.008 10.615 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.954 4.149 9.570 1.00 0.00 N ATOM 0 H ASN A 14 5.508 6.037 7.937 1.00 0.00 H new ATOM 0 HA ASN A 14 7.590 7.982 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.853 5.125 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.068 6.084 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.614 3.736 10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.859 3.640 8.691 1.00 0.00 H new ATOM 237 N PHE A 15 6.596 7.565 5.539 1.00 0.00 N ATOM 238 CA PHE A 15 6.794 7.896 4.135 1.00 0.00 C ATOM 239 C PHE A 15 7.247 9.342 3.987 1.00 0.00 C ATOM 240 O PHE A 15 7.916 9.699 3.017 1.00 0.00 O ATOM 241 CB PHE A 15 5.505 7.665 3.344 1.00 0.00 C ATOM 242 CG PHE A 15 5.560 6.461 2.447 1.00 0.00 C ATOM 243 CD1 PHE A 15 6.511 5.475 2.646 1.00 0.00 C ATOM 244 CD2 PHE A 15 4.658 6.317 1.404 1.00 0.00 C ATOM 245 CE1 PHE A 15 6.563 4.366 1.822 1.00 0.00 C ATOM 246 CE2 PHE A 15 4.704 5.211 0.577 1.00 0.00 C ATOM 247 CZ PHE A 15 5.659 4.234 0.786 1.00 0.00 C ATOM 0 H PHE A 15 5.627 7.375 5.795 1.00 0.00 H new ATOM 0 HA PHE A 15 7.571 7.244 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.675 7.551 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.295 8.548 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.221 5.573 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.911 7.078 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.310 3.604 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.995 5.110 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.698 3.369 0.141 1.00 0.00 H new ATOM 257 N GLU A 16 6.878 10.167 4.960 1.00 0.00 N ATOM 258 CA GLU A 16 7.247 11.579 4.951 1.00 0.00 C ATOM 259 C GLU A 16 6.059 12.452 4.561 1.00 0.00 C ATOM 260 O GLU A 16 6.120 13.678 4.654 1.00 0.00 O ATOM 261 CB GLU A 16 8.404 11.821 3.981 1.00 0.00 C ATOM 262 CG GLU A 16 7.955 12.117 2.563 1.00 0.00 C ATOM 263 CD GLU A 16 8.440 13.463 2.065 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.228 14.114 2.783 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.032 13.869 0.956 1.00 0.00 O ATOM 0 H GLU A 16 6.323 9.883 5.767 1.00 0.00 H new ATOM 0 HA GLU A 16 7.561 11.849 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.004 12.655 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.050 10.943 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.323 11.335 1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.866 12.088 2.517 1.00 0.00 H new ATOM 272 N LYS A 17 4.981 11.813 4.121 1.00 0.00 N ATOM 273 CA LYS A 17 3.785 12.531 3.712 1.00 0.00 C ATOM 274 C LYS A 17 3.038 13.086 4.920 1.00 0.00 C ATOM 275 O LYS A 17 2.419 14.148 4.844 1.00 0.00 O ATOM 276 CB LYS A 17 2.869 11.616 2.898 1.00 0.00 C ATOM 277 CG LYS A 17 2.787 11.995 1.430 1.00 0.00 C ATOM 278 CD LYS A 17 4.079 11.666 0.699 1.00 0.00 C ATOM 279 CE LYS A 17 4.810 10.503 1.348 1.00 0.00 C ATOM 280 NZ LYS A 17 4.104 9.211 1.128 1.00 0.00 N ATOM 0 H LYS A 17 4.913 10.799 4.039 1.00 0.00 H new ATOM 0 HA LYS A 17 4.092 13.370 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.226 10.590 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.868 11.641 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.957 11.465 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.577 13.061 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.858 11.423 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.726 12.543 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.820 10.438 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.906 10.686 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.668 8.898 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.366 9.337 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.785 8.494 0.805 1.00 0.00 H new ATOM 294 N VAL A 18 3.099 12.365 6.034 1.00 0.00 N ATOM 295 CA VAL A 18 2.428 12.792 7.255 1.00 0.00 C ATOM 296 C VAL A 18 2.593 11.761 8.366 1.00 0.00 C ATOM 297 O VAL A 18 2.580 10.556 8.116 1.00 0.00 O ATOM 298 CB VAL A 18 0.926 13.033 7.016 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.681 14.452 6.529 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.374 12.020 6.024 1.00 0.00 C ATOM 0 H VAL A 18 3.606 11.484 6.116 1.00 0.00 H new ATOM 0 HA VAL A 18 2.896 13.728 7.560 1.00 0.00 H new ATOM 0 HB VAL A 18 0.403 12.904 7.963 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.386 14.602 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.037 15.160 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.217 14.613 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.689 12.206 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.902 12.115 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.512 11.013 6.417 1.00 0.00 H new ATOM 310 N ASP A 19 2.750 12.244 9.595 1.00 0.00 N ATOM 311 CA ASP A 19 2.918 11.370 10.745 1.00 0.00 C ATOM 312 C ASP A 19 1.601 10.695 11.114 1.00 0.00 C ATOM 313 O ASP A 19 0.538 11.312 11.052 1.00 0.00 O ATOM 314 CB ASP A 19 3.452 12.161 11.941 1.00 0.00 C ATOM 315 CG ASP A 19 4.619 13.055 11.568 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.700 12.517 11.249 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.451 14.292 11.593 1.00 0.00 O ATOM 0 H ASP A 19 2.764 13.239 9.817 1.00 0.00 H new ATOM 0 HA ASP A 19 3.639 10.597 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.650 12.770 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.764 11.467 12.722 1.00 0.00 H new ATOM 322 N ALA A 20 1.677 9.425 11.495 1.00 0.00 N ATOM 323 CA ALA A 20 0.492 8.669 11.873 1.00 0.00 C ATOM 324 C ALA A 20 -0.147 9.243 13.133 1.00 0.00 C ATOM 325 O ALA A 20 -1.286 8.916 13.468 1.00 0.00 O ATOM 326 CB ALA A 20 0.844 7.204 12.079 1.00 0.00 C ATOM 0 H ALA A 20 2.549 8.898 11.550 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.232 8.747 11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.052 6.651 12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.248 6.793 11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.589 7.117 12.870 1.00 0.00 H new ATOM 332 N SER A 21 0.594 10.098 13.829 1.00 0.00 N ATOM 333 CA SER A 21 0.103 10.715 15.055 1.00 0.00 C ATOM 334 C SER A 21 -1.055 11.665 14.763 1.00 0.00 C ATOM 335 O SER A 21 -1.834 12.000 15.654 1.00 0.00 O ATOM 336 CB SER A 21 1.232 11.470 15.759 1.00 0.00 C ATOM 337 OG SER A 21 2.360 11.607 14.913 1.00 0.00 O ATOM 0 H SER A 21 1.538 10.380 13.564 1.00 0.00 H new ATOM 0 HA SER A 21 -0.259 9.922 15.710 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.880 12.456 16.063 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.517 10.939 16.667 1.00 0.00 H new ATOM 0 HG SER A 21 3.066 12.094 15.386 1.00 0.00 H new ATOM 343 N LYS A 22 -1.159 12.096 13.511 1.00 0.00 N ATOM 344 CA LYS A 22 -2.218 13.006 13.104 1.00 0.00 C ATOM 345 C LYS A 22 -3.333 12.258 12.381 1.00 0.00 C ATOM 346 O LYS A 22 -4.437 12.777 12.216 1.00 0.00 O ATOM 347 CB LYS A 22 -1.658 14.109 12.203 1.00 0.00 C ATOM 348 CG LYS A 22 -0.597 13.622 11.231 1.00 0.00 C ATOM 349 CD LYS A 22 -1.190 12.713 10.168 1.00 0.00 C ATOM 350 CE LYS A 22 -2.185 13.456 9.290 1.00 0.00 C ATOM 351 NZ LYS A 22 -3.381 12.626 8.981 1.00 0.00 N ATOM 0 H LYS A 22 -0.521 11.828 12.761 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.635 13.460 14.003 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.477 14.557 11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.233 14.895 12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.119 14.478 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.180 13.086 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.391 12.306 9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.685 11.868 10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.498 14.372 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.699 13.752 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.137 13.233 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.131 11.907 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.712 12.157 9.848 1.00 0.00 H new ATOM 365 N VAL A 23 -3.036 11.036 11.949 1.00 0.00 N ATOM 366 CA VAL A 23 -4.012 10.219 11.244 1.00 0.00 C ATOM 367 C VAL A 23 -5.021 9.607 12.209 1.00 0.00 C ATOM 368 O VAL A 23 -4.647 8.930 13.167 1.00 0.00 O ATOM 369 CB VAL A 23 -3.330 9.090 10.450 1.00 0.00 C ATOM 370 CG1 VAL A 23 -1.997 9.560 9.887 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.142 7.860 11.325 1.00 0.00 C ATOM 0 H VAL A 23 -2.127 10.592 12.076 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.533 10.880 10.551 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.975 8.819 9.614 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.531 8.748 9.329 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.161 10.409 9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.342 9.861 10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.659 7.073 10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.519 8.115 12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.113 7.510 11.674 1.00 0.00 H new ATOM 381 N THR A 24 -6.302 9.848 11.951 1.00 0.00 N ATOM 382 CA THR A 24 -7.362 9.325 12.789 1.00 0.00 C ATOM 383 C THR A 24 -8.209 8.311 12.025 1.00 0.00 C ATOM 384 O THR A 24 -8.136 8.226 10.799 1.00 0.00 O ATOM 385 CB THR A 24 -8.243 10.461 13.308 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.267 10.469 14.725 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.675 10.378 12.825 1.00 0.00 C ATOM 0 H THR A 24 -6.627 10.406 11.162 1.00 0.00 H new ATOM 0 HA THR A 24 -6.903 8.820 13.639 1.00 0.00 H new ATOM 0 HB THR A 24 -7.797 11.375 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.834 11.204 15.038 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.245 11.214 13.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.695 10.420 11.736 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.118 9.440 13.160 1.00 0.00 H new ATOM 395 N PRO A 25 -9.023 7.527 12.745 1.00 0.00 N ATOM 396 CA PRO A 25 -9.888 6.511 12.136 1.00 0.00 C ATOM 397 C PRO A 25 -10.811 7.101 11.074 1.00 0.00 C ATOM 398 O PRO A 25 -11.105 6.458 10.067 1.00 0.00 O ATOM 399 CB PRO A 25 -10.704 5.977 13.316 1.00 0.00 C ATOM 400 CG PRO A 25 -9.885 6.287 14.521 1.00 0.00 C ATOM 401 CD PRO A 25 -9.162 7.568 14.210 1.00 0.00 C ATOM 0 HA PRO A 25 -9.311 5.743 11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.682 6.456 13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.879 4.905 13.222 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.515 6.399 15.403 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.181 5.482 14.732 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.729 8.440 14.537 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.192 7.614 14.706 1.00 0.00 H new ATOM 409 N GLU A 26 -11.264 8.328 11.308 1.00 0.00 N ATOM 410 CA GLU A 26 -12.151 9.005 10.375 1.00 0.00 C ATOM 411 C GLU A 26 -11.399 10.067 9.580 1.00 0.00 C ATOM 412 O GLU A 26 -12.007 10.902 8.910 1.00 0.00 O ATOM 413 CB GLU A 26 -13.322 9.646 11.124 1.00 0.00 C ATOM 414 CG GLU A 26 -14.263 10.431 10.226 1.00 0.00 C ATOM 415 CD GLU A 26 -14.403 11.879 10.651 1.00 0.00 C ATOM 416 OE1 GLU A 26 -13.523 12.367 11.390 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.393 12.524 10.245 1.00 0.00 O ATOM 0 H GLU A 26 -11.030 8.873 12.138 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.538 8.262 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.887 8.866 11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.930 10.310 11.894 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.897 10.391 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.245 9.958 10.233 1.00 0.00 H new ATOM 424 N SER A 27 -10.073 10.034 9.662 1.00 0.00 N ATOM 425 CA SER A 27 -9.237 10.996 8.955 1.00 0.00 C ATOM 426 C SER A 27 -9.387 10.849 7.445 1.00 0.00 C ATOM 427 O SER A 27 -9.320 9.744 6.906 1.00 0.00 O ATOM 428 CB SER A 27 -7.771 10.818 9.354 1.00 0.00 C ATOM 429 OG SER A 27 -6.906 11.228 8.309 1.00 0.00 O ATOM 0 H SER A 27 -9.554 9.350 10.212 1.00 0.00 H new ATOM 0 HA SER A 27 -9.565 11.997 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.562 11.399 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.581 9.773 9.599 1.00 0.00 H new ATOM 0 HG SER A 27 -5.991 11.305 8.652 1.00 0.00 H new ATOM 435 N HIS A 28 -9.591 11.974 6.767 1.00 0.00 N ATOM 436 CA HIS A 28 -9.752 11.981 5.323 1.00 0.00 C ATOM 437 C HIS A 28 -8.399 11.896 4.624 1.00 0.00 C ATOM 438 O HIS A 28 -7.391 12.375 5.141 1.00 0.00 O ATOM 439 CB HIS A 28 -10.491 13.243 4.876 1.00 0.00 C ATOM 440 CG HIS A 28 -11.947 13.240 5.225 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.551 12.218 5.927 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.924 14.142 4.965 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.834 12.490 6.083 1.00 0.00 C ATOM 444 NE2 HIS A 28 -14.085 13.653 5.509 1.00 0.00 N ATOM 0 H HIS A 28 -9.648 12.896 7.200 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.340 11.107 5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.018 14.112 5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.385 13.353 3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.810 15.073 4.429 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.555 11.868 6.593 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.995 14.113 5.476 1.00 0.00 H new ATOM 453 N PHE A 29 -8.383 11.280 3.446 1.00 0.00 N ATOM 454 CA PHE A 29 -7.156 11.132 2.679 1.00 0.00 C ATOM 455 C PHE A 29 -6.663 12.484 2.175 1.00 0.00 C ATOM 456 O PHE A 29 -6.538 13.437 2.946 1.00 0.00 O ATOM 457 CB PHE A 29 -7.379 10.183 1.500 1.00 0.00 C ATOM 458 CG PHE A 29 -6.117 9.546 0.993 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.881 9.945 1.479 1.00 0.00 C ATOM 460 CD2 PHE A 29 -6.165 8.549 0.032 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.718 9.362 1.014 1.00 0.00 C ATOM 462 CE2 PHE A 29 -5.005 7.961 -0.436 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.779 8.368 0.056 1.00 0.00 C ATOM 0 H PHE A 29 -9.208 10.876 3.003 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.394 10.711 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.075 9.400 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.851 10.733 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.827 10.720 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.120 8.227 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.761 9.683 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.056 7.185 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.871 7.910 -0.307 1.00 0.00 H new ATOM 473 N VAL A 30 -6.382 12.564 0.879 1.00 0.00 N ATOM 474 CA VAL A 30 -5.902 13.803 0.277 1.00 0.00 C ATOM 475 C VAL A 30 -6.476 15.016 0.993 1.00 0.00 C ATOM 476 O VAL A 30 -5.835 16.064 1.081 1.00 0.00 O ATOM 477 CB VAL A 30 -6.264 13.881 -1.217 1.00 0.00 C ATOM 478 CG1 VAL A 30 -5.913 12.579 -1.922 1.00 0.00 C ATOM 479 CG2 VAL A 30 -7.738 14.212 -1.393 1.00 0.00 C ATOM 0 H VAL A 30 -6.478 11.787 0.226 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.817 13.804 0.378 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.680 14.681 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.176 12.654 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.844 12.391 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.467 11.758 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.975 14.263 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.344 13.437 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.953 15.173 -0.927 1.00 0.00 H new ATOM 489 N LYS A 31 -7.688 14.863 1.502 1.00 0.00 N ATOM 490 CA LYS A 31 -8.366 15.937 2.215 1.00 0.00 C ATOM 491 C LYS A 31 -7.618 16.302 3.493 1.00 0.00 C ATOM 492 O LYS A 31 -7.399 17.479 3.783 1.00 0.00 O ATOM 493 CB LYS A 31 -9.802 15.528 2.550 1.00 0.00 C ATOM 494 CG LYS A 31 -10.430 14.610 1.516 1.00 0.00 C ATOM 495 CD LYS A 31 -10.367 15.213 0.122 1.00 0.00 C ATOM 496 CE LYS A 31 -11.756 15.519 -0.415 1.00 0.00 C ATOM 497 NZ LYS A 31 -12.667 16.018 0.650 1.00 0.00 N ATOM 0 H LYS A 31 -8.227 13.999 1.434 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.386 16.812 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.812 15.030 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.413 16.425 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.916 13.649 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.469 14.417 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.775 16.128 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.859 14.523 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.682 16.264 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.179 14.619 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.398 16.624 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.119 15.211 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.122 16.568 1.344 1.00 0.00 H new ATOM 511 N ASP A 32 -7.232 15.285 4.256 1.00 0.00 N ATOM 512 CA ASP A 32 -6.515 15.494 5.502 1.00 0.00 C ATOM 513 C ASP A 32 -5.014 15.595 5.258 1.00 0.00 C ATOM 514 O ASP A 32 -4.221 15.577 6.200 1.00 0.00 O ATOM 515 CB ASP A 32 -6.810 14.356 6.481 1.00 0.00 C ATOM 516 CG ASP A 32 -6.553 14.752 7.922 1.00 0.00 C ATOM 517 OD1 ASP A 32 -5.404 14.595 8.386 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.501 15.220 8.587 1.00 0.00 O ATOM 0 H ASP A 32 -7.406 14.306 4.030 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.857 16.434 5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.850 14.047 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.193 13.494 6.228 1.00 0.00 H new ATOM 523 N LEU A 33 -4.632 15.701 3.989 1.00 0.00 N ATOM 524 CA LEU A 33 -3.226 15.804 3.609 1.00 0.00 C ATOM 525 C LEU A 33 -2.744 14.511 2.961 1.00 0.00 C ATOM 526 O LEU A 33 -1.615 14.077 3.184 1.00 0.00 O ATOM 527 CB LEU A 33 -2.359 16.129 4.829 1.00 0.00 C ATOM 528 CG LEU A 33 -2.668 17.463 5.512 1.00 0.00 C ATOM 529 CD1 LEU A 33 -3.957 18.061 4.968 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.758 17.280 7.019 1.00 0.00 C ATOM 0 H LEU A 33 -5.280 15.718 3.202 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.134 16.614 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.475 15.329 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.313 16.130 4.521 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.854 18.155 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.158 19.009 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.856 18.230 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.783 17.373 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.978 18.238 7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.552 16.570 7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.809 16.900 7.397 1.00 0.00 H new ATOM 542 N GLY A 34 -3.608 13.902 2.156 1.00 0.00 N ATOM 543 CA GLY A 34 -3.251 12.665 1.487 1.00 0.00 C ATOM 544 C GLY A 34 -2.005 12.804 0.634 1.00 0.00 C ATOM 545 O GLY A 34 -1.681 13.897 0.169 1.00 0.00 O ATOM 0 H GLY A 34 -4.548 14.243 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.092 11.886 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.082 12.342 0.860 1.00 0.00 H new ATOM 549 N LEU A 35 -1.306 11.694 0.429 1.00 0.00 N ATOM 550 CA LEU A 35 -0.087 11.691 -0.371 1.00 0.00 C ATOM 551 C LEU A 35 -0.393 12.015 -1.831 1.00 0.00 C ATOM 552 O LEU A 35 -1.458 11.672 -2.342 1.00 0.00 O ATOM 553 CB LEU A 35 0.605 10.332 -0.271 1.00 0.00 C ATOM 554 CG LEU A 35 0.440 9.618 1.071 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.120 10.619 2.171 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.647 8.558 0.980 1.00 0.00 C ATOM 0 H LEU A 35 -1.563 10.782 0.807 1.00 0.00 H new ATOM 0 HA LEU A 35 0.579 12.461 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.218 9.686 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.669 10.468 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 35 1.380 9.125 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.006 10.094 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.932 11.342 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.807 11.140 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.751 8.060 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.593 9.029 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.377 7.825 0.220 1.00 0.00 H new ATOM 568 N ASN A 36 0.547 12.681 -2.496 1.00 0.00 N ATOM 569 CA ASN A 36 0.373 13.051 -3.894 1.00 0.00 C ATOM 570 C ASN A 36 0.387 11.819 -4.796 1.00 0.00 C ATOM 571 O ASN A 36 0.185 10.697 -4.331 1.00 0.00 O ATOM 572 CB ASN A 36 1.457 14.041 -4.325 1.00 0.00 C ATOM 573 CG ASN A 36 2.811 13.385 -4.485 1.00 0.00 C ATOM 574 OD1 ASN A 36 3.538 13.191 -3.511 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.155 13.042 -5.718 1.00 0.00 N ATOM 0 H ASN A 36 1.435 12.974 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.600 13.532 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.167 14.504 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.529 14.840 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.056 12.597 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.518 13.223 -6.494 1.00 0.00 H new ATOM 582 N SER A 37 0.610 12.039 -6.086 1.00 0.00 N ATOM 583 CA SER A 37 0.632 10.950 -7.060 1.00 0.00 C ATOM 584 C SER A 37 1.775 9.970 -6.812 1.00 0.00 C ATOM 585 O SER A 37 1.547 8.786 -6.563 1.00 0.00 O ATOM 586 CB SER A 37 0.737 11.516 -8.477 1.00 0.00 C ATOM 587 OG SER A 37 1.852 12.381 -8.600 1.00 0.00 O ATOM 0 H SER A 37 0.779 12.963 -6.484 1.00 0.00 H new ATOM 0 HA SER A 37 -0.302 10.400 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.826 10.699 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.176 12.058 -8.724 1.00 0.00 H new ATOM 0 HG SER A 37 1.897 12.728 -9.515 1.00 0.00 H new ATOM 592 N LEU A 38 2.998 10.465 -6.908 1.00 0.00 N ATOM 593 CA LEU A 38 4.183 9.626 -6.725 1.00 0.00 C ATOM 594 C LEU A 38 4.131 8.845 -5.413 1.00 0.00 C ATOM 595 O LEU A 38 4.845 7.856 -5.244 1.00 0.00 O ATOM 596 CB LEU A 38 5.465 10.466 -6.811 1.00 0.00 C ATOM 597 CG LEU A 38 5.941 11.119 -5.516 1.00 0.00 C ATOM 598 CD1 LEU A 38 6.418 12.538 -5.781 1.00 0.00 C ATOM 599 CD2 LEU A 38 4.846 11.118 -4.465 1.00 0.00 C ATOM 0 H LEU A 38 3.202 11.443 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 38 4.193 8.897 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.266 9.828 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.309 11.251 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 38 6.776 10.533 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.754 12.989 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.244 12.517 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.598 13.126 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.215 11.590 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.984 11.672 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.551 10.091 -4.248 1.00 0.00 H new ATOM 611 N ASP A 39 3.276 9.275 -4.493 1.00 0.00 N ATOM 612 CA ASP A 39 3.143 8.590 -3.215 1.00 0.00 C ATOM 613 C ASP A 39 2.224 7.389 -3.354 1.00 0.00 C ATOM 614 O ASP A 39 2.682 6.265 -3.552 1.00 0.00 O ATOM 615 CB ASP A 39 2.616 9.539 -2.135 1.00 0.00 C ATOM 616 CG ASP A 39 2.526 10.974 -2.613 1.00 0.00 C ATOM 617 OD1 ASP A 39 2.367 11.182 -3.831 1.00 0.00 O ATOM 618 OD2 ASP A 39 2.613 11.888 -1.766 1.00 0.00 O ATOM 0 H ASP A 39 2.670 10.087 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 39 4.131 8.245 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.630 9.205 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.269 9.491 -1.264 1.00 0.00 H new ATOM 623 N VAL A 40 0.927 7.632 -3.265 1.00 0.00 N ATOM 624 CA VAL A 40 -0.052 6.565 -3.392 1.00 0.00 C ATOM 625 C VAL A 40 0.489 5.445 -4.272 1.00 0.00 C ATOM 626 O VAL A 40 0.208 4.270 -4.042 1.00 0.00 O ATOM 627 CB VAL A 40 -1.377 7.079 -3.986 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.462 6.750 -5.468 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.561 6.493 -3.233 1.00 0.00 C ATOM 0 H VAL A 40 0.528 8.557 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.245 6.184 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.407 8.163 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.405 7.121 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.633 7.223 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.410 5.670 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.489 6.867 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.538 5.406 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.506 6.786 -2.184 1.00 0.00 H new ATOM 639 N VAL A 41 1.273 5.820 -5.281 1.00 0.00 N ATOM 640 CA VAL A 41 1.857 4.851 -6.194 1.00 0.00 C ATOM 641 C VAL A 41 2.971 4.059 -5.518 1.00 0.00 C ATOM 642 O VAL A 41 3.047 2.838 -5.656 1.00 0.00 O ATOM 643 CB VAL A 41 2.421 5.528 -7.456 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.467 4.543 -8.614 1.00 0.00 C ATOM 645 CG2 VAL A 41 1.596 6.752 -7.821 1.00 0.00 C ATOM 0 H VAL A 41 1.516 6.790 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 41 1.054 4.173 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 41 3.439 5.855 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.868 5.039 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.105 3.700 -8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.460 4.183 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.011 7.217 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.566 6.452 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.620 7.466 -6.997 1.00 0.00 H new ATOM 655 N GLU A 42 3.835 4.757 -4.786 1.00 0.00 N ATOM 656 CA GLU A 42 4.939 4.107 -4.094 1.00 0.00 C ATOM 657 C GLU A 42 4.418 3.222 -2.970 1.00 0.00 C ATOM 658 O GLU A 42 4.878 2.098 -2.778 1.00 0.00 O ATOM 659 CB GLU A 42 5.909 5.148 -3.537 1.00 0.00 C ATOM 660 CG GLU A 42 7.057 5.470 -4.477 1.00 0.00 C ATOM 661 CD GLU A 42 8.342 5.794 -3.741 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.687 5.055 -2.796 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.004 6.787 -4.112 1.00 0.00 O ATOM 0 H GLU A 42 3.791 5.768 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 42 5.471 3.482 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.360 6.064 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.314 4.787 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.227 4.622 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.780 6.316 -5.106 1.00 0.00 H new ATOM 670 N VAL A 43 3.448 3.746 -2.239 1.00 0.00 N ATOM 671 CA VAL A 43 2.838 3.026 -1.133 1.00 0.00 C ATOM 672 C VAL A 43 2.033 1.840 -1.637 1.00 0.00 C ATOM 673 O VAL A 43 2.094 0.747 -1.073 1.00 0.00 O ATOM 674 CB VAL A 43 1.924 3.946 -0.304 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.640 5.237 -1.059 1.00 0.00 C ATOM 676 CG2 VAL A 43 0.637 3.236 0.056 1.00 0.00 C ATOM 0 H VAL A 43 3.063 4.678 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 43 3.647 2.667 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 43 2.439 4.200 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.992 5.875 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.578 5.756 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.146 5.005 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.005 3.903 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.113 2.947 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.864 2.345 0.641 1.00 0.00 H new ATOM 686 N VAL A 44 1.291 2.061 -2.712 1.00 0.00 N ATOM 687 CA VAL A 44 0.484 1.007 -3.306 1.00 0.00 C ATOM 688 C VAL A 44 1.376 -0.145 -3.735 1.00 0.00 C ATOM 689 O VAL A 44 0.992 -1.313 -3.653 1.00 0.00 O ATOM 690 CB VAL A 44 -0.311 1.513 -4.524 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.458 2.405 -4.082 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.603 2.247 -5.492 1.00 0.00 C ATOM 0 H VAL A 44 1.231 2.960 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.227 0.672 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.732 0.651 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.007 2.752 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.128 1.841 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.063 3.263 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.023 2.597 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.057 3.100 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.385 1.571 -5.837 1.00 0.00 H new ATOM 702 N PHE A 45 2.578 0.199 -4.180 1.00 0.00 N ATOM 703 CA PHE A 45 3.549 -0.791 -4.611 1.00 0.00 C ATOM 704 C PHE A 45 4.112 -1.533 -3.409 1.00 0.00 C ATOM 705 O PHE A 45 4.461 -2.711 -3.490 1.00 0.00 O ATOM 706 CB PHE A 45 4.678 -0.113 -5.386 1.00 0.00 C ATOM 707 CG PHE A 45 4.719 -0.499 -6.832 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.041 -1.792 -7.198 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.436 0.427 -7.822 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.082 -2.160 -8.530 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.474 0.068 -9.156 1.00 0.00 C ATOM 712 CZ PHE A 45 4.799 -1.229 -9.511 1.00 0.00 C ATOM 0 H PHE A 45 2.902 1.163 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 45 3.053 -1.509 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.564 0.968 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.631 -0.367 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.263 -2.523 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.183 1.441 -7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.335 -3.174 -8.803 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.250 0.798 -9.920 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.831 -1.513 -10.552 1.00 0.00 H new ATOM 722 N ALA A 46 4.192 -0.823 -2.294 1.00 0.00 N ATOM 723 CA ALA A 46 4.704 -1.385 -1.055 1.00 0.00 C ATOM 724 C ALA A 46 3.709 -2.362 -0.445 1.00 0.00 C ATOM 725 O ALA A 46 3.843 -3.579 -0.587 1.00 0.00 O ATOM 726 CB ALA A 46 5.031 -0.276 -0.068 1.00 0.00 C ATOM 0 H ALA A 46 3.905 0.153 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 46 5.618 -1.933 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.413 -0.712 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.785 0.383 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.129 0.297 0.147 1.00 0.00 H new ATOM 732 N ILE A 47 2.710 -1.817 0.231 1.00 0.00 N ATOM 733 CA ILE A 47 1.685 -2.634 0.861 1.00 0.00 C ATOM 734 C ILE A 47 1.405 -3.874 0.024 1.00 0.00 C ATOM 735 O ILE A 47 1.338 -4.987 0.544 1.00 0.00 O ATOM 736 CB ILE A 47 0.375 -1.847 1.059 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.096 -1.252 -0.270 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.566 -0.753 2.097 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.563 0.183 -0.158 1.00 0.00 C ATOM 0 H ILE A 47 2.587 -0.812 0.357 1.00 0.00 H new ATOM 0 HA ILE A 47 2.062 -2.929 1.840 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.392 -2.533 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.719 -1.305 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.910 -1.861 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.368 -0.206 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.858 -1.200 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.345 -0.067 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.882 0.539 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.399 0.240 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.255 0.805 0.205 1.00 0.00 H new ATOM 751 N GLU A 48 1.253 -3.677 -1.281 1.00 0.00 N ATOM 752 CA GLU A 48 0.992 -4.784 -2.189 1.00 0.00 C ATOM 753 C GLU A 48 2.075 -5.842 -2.055 1.00 0.00 C ATOM 754 O GLU A 48 1.797 -7.043 -2.049 1.00 0.00 O ATOM 755 CB GLU A 48 0.922 -4.281 -3.632 1.00 0.00 C ATOM 756 CG GLU A 48 2.225 -4.442 -4.397 1.00 0.00 C ATOM 757 CD GLU A 48 2.593 -5.895 -4.623 1.00 0.00 C ATOM 758 OE1 GLU A 48 1.789 -6.776 -4.251 1.00 0.00 O ATOM 759 OE2 GLU A 48 3.685 -6.153 -5.173 1.00 0.00 O ATOM 0 H GLU A 48 1.306 -2.763 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 48 0.033 -5.230 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.133 -4.819 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.641 -3.228 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.141 -3.938 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.027 -3.949 -3.848 1.00 0.00 H new ATOM 766 N GLN A 49 3.310 -5.380 -1.929 1.00 0.00 N ATOM 767 CA GLN A 49 4.449 -6.273 -1.777 1.00 0.00 C ATOM 768 C GLN A 49 4.216 -7.226 -0.613 1.00 0.00 C ATOM 769 O GLN A 49 4.488 -8.423 -0.713 1.00 0.00 O ATOM 770 CB GLN A 49 5.731 -5.471 -1.550 1.00 0.00 C ATOM 771 CG GLN A 49 6.961 -6.098 -2.186 1.00 0.00 C ATOM 772 CD GLN A 49 7.823 -5.083 -2.911 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.051 -5.126 -2.834 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.181 -4.161 -3.620 1.00 0.00 N ATOM 0 H GLN A 49 3.549 -4.389 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 49 4.559 -6.853 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.597 -4.466 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.900 -5.367 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.555 -6.588 -1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.649 -6.871 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.162 -4.163 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.707 -3.451 -4.129 1.00 0.00 H new ATOM 783 N GLU A 50 3.700 -6.688 0.488 1.00 0.00 N ATOM 784 CA GLU A 50 3.421 -7.491 1.662 1.00 0.00 C ATOM 785 C GLU A 50 1.918 -7.610 1.897 1.00 0.00 C ATOM 786 O GLU A 50 1.457 -7.652 3.038 1.00 0.00 O ATOM 787 CB GLU A 50 4.099 -6.889 2.894 1.00 0.00 C ATOM 788 CG GLU A 50 3.668 -7.532 4.202 1.00 0.00 C ATOM 789 CD GLU A 50 3.551 -9.040 4.098 1.00 0.00 C ATOM 790 OE1 GLU A 50 2.738 -9.518 3.278 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.273 -9.744 4.836 1.00 0.00 O ATOM 0 H GLU A 50 3.469 -5.699 0.587 1.00 0.00 H new ATOM 0 HA GLU A 50 3.822 -8.490 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.179 -6.989 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.880 -5.822 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.387 -7.280 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.708 -7.117 4.508 1.00 0.00 H new ATOM 798 N PHE A 51 1.160 -7.664 0.806 1.00 0.00 N ATOM 799 CA PHE A 51 -0.285 -7.780 0.879 1.00 0.00 C ATOM 800 C PHE A 51 -0.826 -8.716 -0.202 1.00 0.00 C ATOM 801 O PHE A 51 -2.034 -8.932 -0.295 1.00 0.00 O ATOM 802 CB PHE A 51 -0.940 -6.404 0.747 1.00 0.00 C ATOM 803 CG PHE A 51 -1.083 -5.673 2.051 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.036 -5.297 2.776 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.337 -5.362 2.551 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.092 -4.622 3.975 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.472 -4.688 3.750 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.349 -4.317 4.462 1.00 0.00 C ATOM 0 H PHE A 51 1.530 -7.629 -0.144 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.531 -8.204 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.349 -5.795 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.926 -6.523 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.020 -5.534 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.219 -5.649 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.788 -4.333 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.455 -4.452 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.453 -3.789 5.398 1.00 0.00 H new ATOM 818 N ILE A 52 0.070 -9.267 -1.020 1.00 0.00 N ATOM 819 CA ILE A 52 -0.324 -10.176 -2.091 1.00 0.00 C ATOM 820 C ILE A 52 -1.439 -9.576 -2.940 1.00 0.00 C ATOM 821 O ILE A 52 -2.366 -10.274 -3.352 1.00 0.00 O ATOM 822 CB ILE A 52 -0.779 -11.547 -1.548 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.827 -11.379 -0.455 1.00 0.00 C ATOM 824 CG2 ILE A 52 0.413 -12.334 -1.027 1.00 0.00 C ATOM 825 CD1 ILE A 52 -3.172 -10.908 -0.967 1.00 0.00 C ATOM 0 H ILE A 52 1.074 -9.098 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 52 0.561 -10.326 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.232 -12.104 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.957 -12.331 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.459 -10.665 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.075 -13.298 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.126 -12.492 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.894 -11.776 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.866 -10.812 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.057 -9.941 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.563 -11.632 -1.682 1.00 0.00 H new ATOM 837 N LEU A 53 -1.341 -8.277 -3.199 1.00 0.00 N ATOM 838 CA LEU A 53 -2.339 -7.577 -4.001 1.00 0.00 C ATOM 839 C LEU A 53 -1.940 -6.120 -4.204 1.00 0.00 C ATOM 840 O LEU A 53 -1.456 -5.466 -3.280 1.00 0.00 O ATOM 841 CB LEU A 53 -3.711 -7.656 -3.328 1.00 0.00 C ATOM 842 CG LEU A 53 -4.899 -7.711 -4.289 1.00 0.00 C ATOM 843 CD1 LEU A 53 -4.487 -8.329 -5.615 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.048 -8.492 -3.668 1.00 0.00 C ATOM 0 H LEU A 53 -0.580 -7.686 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.395 -8.061 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.736 -8.540 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.830 -6.791 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.237 -6.692 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.346 -8.359 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.696 -7.729 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.123 -9.342 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.886 -8.522 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.721 -9.509 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.361 -8.006 -2.744 1.00 0.00 H new ATOM 856 N ASP A 54 -2.141 -5.618 -5.417 1.00 0.00 N ATOM 857 CA ASP A 54 -1.797 -4.242 -5.737 1.00 0.00 C ATOM 858 C ASP A 54 -2.867 -3.280 -5.237 1.00 0.00 C ATOM 859 O ASP A 54 -4.059 -3.582 -5.282 1.00 0.00 O ATOM 860 CB ASP A 54 -1.612 -4.078 -7.246 1.00 0.00 C ATOM 861 CG ASP A 54 -1.601 -5.408 -7.975 1.00 0.00 C ATOM 862 OD1 ASP A 54 -2.681 -6.021 -8.109 1.00 0.00 O ATOM 863 OD2 ASP A 54 -0.512 -5.836 -8.411 1.00 0.00 O ATOM 0 H ASP A 54 -2.541 -6.145 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.859 -4.004 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.415 -3.456 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.677 -3.553 -7.440 1.00 0.00 H new ATOM 868 N ILE A 55 -2.432 -2.120 -4.756 1.00 0.00 N ATOM 869 CA ILE A 55 -3.345 -1.115 -4.243 1.00 0.00 C ATOM 870 C ILE A 55 -3.401 0.123 -5.141 1.00 0.00 C ATOM 871 O ILE A 55 -4.201 1.028 -4.905 1.00 0.00 O ATOM 872 CB ILE A 55 -2.954 -0.681 -2.817 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.222 -1.814 -1.824 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.713 0.574 -2.415 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.257 -2.972 -1.953 1.00 0.00 C ATOM 0 H ILE A 55 -1.448 -1.856 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.331 -1.579 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.888 -0.455 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.168 -1.418 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.238 -2.181 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.424 0.866 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.475 1.381 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.784 0.376 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.507 -3.738 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.327 -3.394 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.240 -2.620 -1.778 1.00 0.00 H new ATOM 887 N PRO A 56 -2.554 0.186 -6.186 1.00 0.00 N ATOM 888 CA PRO A 56 -2.526 1.328 -7.105 1.00 0.00 C ATOM 889 C PRO A 56 -3.719 1.340 -8.056 1.00 0.00 C ATOM 890 O PRO A 56 -4.745 0.714 -7.789 1.00 0.00 O ATOM 891 CB PRO A 56 -1.226 1.119 -7.880 1.00 0.00 C ATOM 892 CG PRO A 56 -1.017 -0.355 -7.869 1.00 0.00 C ATOM 893 CD PRO A 56 -1.561 -0.842 -6.553 1.00 0.00 C ATOM 0 HA PRO A 56 -2.578 2.280 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.305 1.501 -8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.394 1.641 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.534 -0.828 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.040 -0.600 -7.969 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.019 -1.826 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.776 -0.927 -5.802 1.00 0.00 H new ATOM 901 N ASP A 57 -3.576 2.056 -9.167 1.00 0.00 N ATOM 902 CA ASP A 57 -4.640 2.149 -10.160 1.00 0.00 C ATOM 903 C ASP A 57 -5.901 2.757 -9.554 1.00 0.00 C ATOM 904 O ASP A 57 -5.908 3.176 -8.396 1.00 0.00 O ATOM 905 CB ASP A 57 -4.953 0.766 -10.734 1.00 0.00 C ATOM 906 CG ASP A 57 -3.709 -0.084 -10.903 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.027 0.059 -11.939 1.00 0.00 O ATOM 908 OD2 ASP A 57 -3.415 -0.894 -9.997 1.00 0.00 O ATOM 0 H ASP A 57 -2.733 2.580 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.295 2.800 -10.964 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.654 0.253 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.446 0.879 -11.699 1.00 0.00 H new ATOM 913 N HIS A 58 -6.967 2.801 -10.346 1.00 0.00 N ATOM 914 CA HIS A 58 -8.235 3.357 -9.891 1.00 0.00 C ATOM 915 C HIS A 58 -8.641 2.753 -8.550 1.00 0.00 C ATOM 916 O HIS A 58 -9.518 3.276 -7.863 1.00 0.00 O ATOM 917 CB HIS A 58 -9.330 3.105 -10.929 1.00 0.00 C ATOM 918 CG HIS A 58 -8.997 2.010 -11.895 1.00 0.00 C ATOM 919 ND1 HIS A 58 -9.410 0.705 -11.725 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.285 2.030 -13.047 1.00 0.00 C ATOM 921 CE1 HIS A 58 -8.967 -0.029 -12.731 1.00 0.00 C ATOM 922 NE2 HIS A 58 -8.283 0.751 -13.547 1.00 0.00 N ATOM 0 H HIS A 58 -6.978 2.458 -11.307 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.107 4.432 -9.763 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.257 2.855 -10.414 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.512 4.025 -11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.808 2.892 -13.490 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.136 -1.087 -12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -7.827 0.452 -14.409 1.00 0.00 H new ATOM 931 N ASP A 59 -7.999 1.648 -8.185 1.00 0.00 N ATOM 932 CA ASP A 59 -8.293 0.974 -6.929 1.00 0.00 C ATOM 933 C ASP A 59 -7.893 1.839 -5.738 1.00 0.00 C ATOM 934 O ASP A 59 -8.646 1.972 -4.774 1.00 0.00 O ATOM 935 CB ASP A 59 -7.565 -0.370 -6.865 1.00 0.00 C ATOM 936 CG ASP A 59 -7.996 -1.205 -5.675 1.00 0.00 C ATOM 937 OD1 ASP A 59 -7.724 -0.789 -4.529 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.603 -2.275 -5.888 1.00 0.00 O ATOM 0 H ASP A 59 -7.271 1.201 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.368 0.801 -6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.754 -0.926 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.490 -0.196 -6.813 1.00 0.00 H new ATOM 943 N ALA A 60 -6.701 2.424 -5.812 1.00 0.00 N ATOM 944 CA ALA A 60 -6.202 3.274 -4.741 1.00 0.00 C ATOM 945 C ALA A 60 -6.861 4.645 -4.773 1.00 0.00 C ATOM 946 O ALA A 60 -7.049 5.283 -3.738 1.00 0.00 O ATOM 947 CB ALA A 60 -4.689 3.411 -4.835 1.00 0.00 C ATOM 0 H ALA A 60 -6.065 2.324 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.455 2.802 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.331 4.049 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.229 2.427 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.423 3.855 -5.794 1.00 0.00 H new ATOM 953 N GLU A 61 -7.206 5.094 -5.972 1.00 0.00 N ATOM 954 CA GLU A 61 -7.842 6.391 -6.151 1.00 0.00 C ATOM 955 C GLU A 61 -9.326 6.324 -5.805 1.00 0.00 C ATOM 956 O GLU A 61 -9.964 7.349 -5.563 1.00 0.00 O ATOM 957 CB GLU A 61 -7.664 6.875 -7.591 1.00 0.00 C ATOM 958 CG GLU A 61 -8.704 6.323 -8.551 1.00 0.00 C ATOM 959 CD GLU A 61 -8.351 6.580 -10.004 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.363 7.300 -10.256 1.00 0.00 O ATOM 961 OE2 GLU A 61 -9.064 6.060 -10.889 1.00 0.00 O ATOM 0 H GLU A 61 -7.055 4.577 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.362 7.098 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.708 7.964 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.672 6.591 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.808 5.250 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.672 6.774 -8.331 1.00 0.00 H new ATOM 968 N LYS A 62 -9.872 5.113 -5.789 1.00 0.00 N ATOM 969 CA LYS A 62 -11.280 4.911 -5.478 1.00 0.00 C ATOM 970 C LYS A 62 -11.549 5.107 -3.989 1.00 0.00 C ATOM 971 O LYS A 62 -12.626 4.773 -3.495 1.00 0.00 O ATOM 972 CB LYS A 62 -11.722 3.512 -5.907 1.00 0.00 C ATOM 973 CG LYS A 62 -12.942 3.512 -6.815 1.00 0.00 C ATOM 974 CD LYS A 62 -12.806 2.488 -7.931 1.00 0.00 C ATOM 975 CE LYS A 62 -13.767 2.778 -9.072 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.490 4.092 -9.714 1.00 0.00 N ATOM 0 H LYS A 62 -9.358 4.255 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.855 5.654 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.896 3.021 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.941 2.920 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.834 3.295 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.077 4.505 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.783 2.491 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.998 1.490 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.693 1.987 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.790 2.767 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.854 4.086 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.958 4.848 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.464 4.262 -9.729 1.00 0.00 H new ATOM 990 N ILE A 63 -10.567 5.650 -3.278 1.00 0.00 N ATOM 991 CA ILE A 63 -10.702 5.889 -1.851 1.00 0.00 C ATOM 992 C ILE A 63 -10.482 7.360 -1.514 1.00 0.00 C ATOM 993 O ILE A 63 -9.428 7.924 -1.807 1.00 0.00 O ATOM 994 CB ILE A 63 -9.709 5.034 -1.040 1.00 0.00 C ATOM 995 CG1 ILE A 63 -8.348 4.994 -1.737 1.00 0.00 C ATOM 996 CG2 ILE A 63 -10.254 3.627 -0.849 1.00 0.00 C ATOM 997 CD1 ILE A 63 -7.255 4.375 -0.894 1.00 0.00 C ATOM 0 H ILE A 63 -9.669 5.932 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.719 5.606 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.579 5.489 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.441 4.432 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.057 6.009 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.541 3.036 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.202 3.674 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.410 3.162 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.318 4.380 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.134 4.950 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.524 3.348 -0.646 1.00 0.00 H new ATOM 1009 N GLN A 64 -11.486 7.976 -0.899 1.00 0.00 N ATOM 1010 CA GLN A 64 -11.409 9.375 -0.523 1.00 0.00 C ATOM 1011 C GLN A 64 -10.889 9.531 0.902 1.00 0.00 C ATOM 1012 O GLN A 64 -10.340 10.572 1.263 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.782 10.037 -0.654 1.00 0.00 C ATOM 1014 CG GLN A 64 -13.394 9.898 -2.038 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.383 8.467 -2.539 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.367 7.742 -2.399 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.266 8.054 -3.126 1.00 0.00 N ATOM 0 H GLN A 64 -12.365 7.522 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.710 9.867 -1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.459 9.599 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.691 11.096 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.421 10.263 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.846 10.529 -2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.474 8.690 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.200 7.101 -3.483 1.00 0.00 H new ATOM 1026 N SER A 65 -11.066 8.489 1.709 1.00 0.00 N ATOM 1027 CA SER A 65 -10.616 8.509 3.095 1.00 0.00 C ATOM 1028 C SER A 65 -9.578 7.419 3.344 1.00 0.00 C ATOM 1029 O SER A 65 -9.569 6.392 2.666 1.00 0.00 O ATOM 1030 CB SER A 65 -11.807 8.329 4.039 1.00 0.00 C ATOM 1031 OG SER A 65 -12.274 6.991 4.020 1.00 0.00 O ATOM 0 H SER A 65 -11.518 7.620 1.426 1.00 0.00 H new ATOM 0 HA SER A 65 -10.151 9.475 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.516 8.602 5.053 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.612 9.003 3.747 1.00 0.00 H new ATOM 0 HG SER A 65 -13.034 6.901 4.632 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.701 7.651 4.316 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.655 6.690 4.645 1.00 0.00 C ATOM 1039 C ILE A 66 -8.241 5.403 5.221 1.00 0.00 C ATOM 1040 O ILE A 66 -7.666 4.326 5.070 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.636 7.269 5.648 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.198 8.517 6.336 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.328 7.595 4.943 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -6.204 9.197 7.252 1.00 0.00 C ATOM 0 H ILE A 66 -8.694 8.495 4.889 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.141 6.467 3.710 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.443 6.517 6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.524 9.226 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.081 8.239 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.618 8.003 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.916 6.687 4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.511 8.329 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.668 10.073 7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.896 8.503 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.331 9.506 6.677 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.398 5.500 5.892 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.066 4.342 6.493 1.00 0.00 C ATOM 1058 C PRO A 67 -10.308 3.224 5.483 1.00 0.00 C ATOM 1059 O PRO A 67 -9.738 2.140 5.594 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.398 4.910 6.989 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.146 6.366 7.171 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.148 6.748 6.115 1.00 0.00 C ATOM 0 HA PRO A 67 -9.462 3.891 7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.196 4.734 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.704 4.442 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.067 6.938 7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.758 6.573 8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.638 7.092 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.496 7.555 6.450 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.157 3.498 4.498 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.475 2.516 3.468 1.00 0.00 C ATOM 1072 C ASP A 68 -10.216 2.064 2.736 1.00 0.00 C ATOM 1073 O ASP A 68 -10.201 1.013 2.097 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.479 3.097 2.471 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.819 2.389 2.518 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.076 1.673 3.508 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.610 2.552 1.566 1.00 0.00 O ATOM 0 H ASP A 68 -11.637 4.392 4.391 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.919 1.648 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.624 4.157 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.069 3.025 1.464 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.163 2.868 2.830 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.900 2.555 2.177 1.00 0.00 C ATOM 1084 C ALA A 69 -7.215 1.365 2.836 1.00 0.00 C ATOM 1085 O ALA A 69 -7.270 0.241 2.336 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.984 3.770 2.195 1.00 0.00 C ATOM 0 H ALA A 69 -9.160 3.743 3.354 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.113 2.286 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.043 3.523 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.463 4.595 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.789 4.063 3.227 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.566 1.629 3.960 1.00 0.00 N ATOM 1093 CA VAL A 70 -5.857 0.596 4.701 1.00 0.00 C ATOM 1094 C VAL A 70 -6.822 -0.443 5.262 1.00 0.00 C ATOM 1095 O VAL A 70 -6.413 -1.530 5.672 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.040 1.197 5.860 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.837 2.279 6.571 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.616 0.109 6.835 1.00 0.00 C ATOM 0 H VAL A 70 -6.516 2.556 4.381 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.178 0.114 3.997 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.140 1.654 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.243 2.692 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.084 3.072 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.756 1.850 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.040 0.553 7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.501 -0.379 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.003 -0.627 6.315 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.104 -0.099 5.285 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.124 -0.997 5.799 1.00 0.00 C ATOM 1110 C GLU A 71 -9.490 -2.066 4.773 1.00 0.00 C ATOM 1111 O GLU A 71 -9.702 -3.226 5.124 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.372 -0.209 6.197 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.178 0.659 7.430 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.760 0.031 8.682 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -10.995 -1.195 8.677 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.980 0.767 9.666 1.00 0.00 O ATOM 0 H GLU A 71 -8.460 0.797 4.953 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.717 -1.495 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.674 0.423 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.189 -0.907 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.113 0.839 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.645 1.630 7.264 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.578 -1.668 3.507 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.935 -2.596 2.441 1.00 0.00 C ATOM 1125 C TYR A 72 -8.831 -3.614 2.188 1.00 0.00 C ATOM 1126 O TYR A 72 -9.083 -4.818 2.138 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.243 -1.832 1.153 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.297 -2.149 0.018 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -9.519 -3.241 -0.813 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -8.182 -1.357 -0.225 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -8.657 -3.535 -1.852 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -7.316 -1.643 -1.263 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.557 -2.733 -2.073 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.696 -3.021 -3.107 1.00 0.00 O ATOM 0 H TYR A 72 -9.407 -0.712 3.196 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.825 -3.138 2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.262 -2.061 0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.205 -0.762 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -10.380 -3.870 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.989 -0.503 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.844 -4.388 -2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.454 -1.016 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.737 -2.306 -3.776 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.611 -3.127 2.030 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.472 -4.001 1.782 1.00 0.00 C ATOM 1146 C ILE A 73 -6.147 -4.841 3.012 1.00 0.00 C ATOM 1147 O ILE A 73 -5.630 -5.953 2.900 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.217 -3.219 1.344 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.081 -1.930 2.139 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.269 -2.922 -0.147 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.172 -2.134 3.630 1.00 0.00 C ATOM 0 H ILE A 73 -7.382 -2.134 2.069 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.762 -4.658 0.962 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.342 -3.837 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.125 -1.464 1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.860 -1.235 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.376 -2.370 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.315 -3.858 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.154 -2.325 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.067 -1.174 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.139 -2.571 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.376 -2.804 3.955 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.456 -4.304 4.184 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.202 -5.006 5.432 1.00 0.00 C ATOM 1165 C ALA A 74 -7.054 -6.263 5.528 1.00 0.00 C ATOM 1166 O ALA A 74 -6.555 -7.350 5.822 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.466 -4.092 6.618 1.00 0.00 C ATOM 0 H ALA A 74 -6.883 -3.384 4.296 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.154 -5.304 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.271 -4.632 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.811 -3.223 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.506 -3.765 6.601 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.340 -6.102 5.270 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.278 -7.210 5.323 1.00 0.00 C ATOM 1175 C GLN A 75 -9.189 -8.050 4.061 1.00 0.00 C ATOM 1176 O GLN A 75 -8.576 -9.120 4.054 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.705 -6.692 5.506 1.00 0.00 C ATOM 1178 CG GLN A 75 -10.909 -5.911 6.794 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.068 -4.938 6.708 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.231 -5.341 6.679 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -11.756 -3.647 6.667 1.00 0.00 N ATOM 0 H GLN A 75 -8.761 -5.207 5.020 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.017 -7.836 6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.962 -6.055 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.394 -7.537 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.085 -6.608 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.997 -5.364 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.778 -3.358 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.494 -2.946 6.609 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.795 -7.561 2.994 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.773 -8.270 1.725 1.00 0.00 C ATOM 1192 C ASN A 76 -8.526 -9.145 1.643 1.00 0.00 C ATOM 1193 O ASN A 76 -8.606 -10.366 1.773 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.813 -7.283 0.557 1.00 0.00 C ATOM 1195 CG ASN A 76 -11.212 -7.098 0.003 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -11.864 -8.059 -0.403 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -11.680 -5.854 -0.017 1.00 0.00 N ATOM 0 H ASN A 76 -10.307 -6.679 2.979 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.656 -8.906 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.425 -6.319 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.155 -7.637 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.615 -5.667 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.104 -5.087 0.330 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.349 -8.528 1.440 1.00 0.00 N ATOM 1205 CA PRO A 77 -6.082 -9.261 1.356 1.00 0.00 C ATOM 1206 C PRO A 77 -5.834 -10.129 2.588 1.00 0.00 C ATOM 1207 O PRO A 77 -5.274 -11.220 2.484 1.00 0.00 O ATOM 1208 CB PRO A 77 -5.029 -8.153 1.266 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.764 -6.972 0.733 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.160 -7.077 1.280 1.00 0.00 C ATOM 0 HA PRO A 77 -6.067 -9.949 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.594 -7.940 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.209 -8.439 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.290 -6.042 1.047 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.770 -6.974 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.262 -6.550 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.894 -6.648 0.597 1.00 0.00 H new ATOM 1218 N MET A 78 -6.255 -9.643 3.756 1.00 0.00 N ATOM 1219 CA MET A 78 -6.075 -10.387 4.997 1.00 0.00 C ATOM 1220 C MET A 78 -6.630 -11.801 4.871 1.00 0.00 C ATOM 1221 O MET A 78 -6.281 -12.689 5.648 1.00 0.00 O ATOM 1222 CB MET A 78 -6.760 -9.664 6.158 1.00 0.00 C ATOM 1223 CG MET A 78 -7.372 -10.603 7.185 1.00 0.00 C ATOM 1224 SD MET A 78 -8.630 -9.801 8.196 1.00 0.00 S ATOM 1225 CE MET A 78 -9.281 -11.203 9.102 1.00 0.00 C ATOM 0 H MET A 78 -6.720 -8.742 3.866 1.00 0.00 H new ATOM 0 HA MET A 78 -5.005 -10.450 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.033 -9.021 6.654 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.541 -9.015 5.761 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.814 -11.458 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.585 -10.991 7.831 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.072 -10.867 9.773 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.686 -11.933 8.401 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.482 -11.663 9.684 1.00 0.00 H new ATOM 1235 N ALA A 79 -7.496 -12.003 3.883 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.097 -13.301 3.652 1.00 0.00 C ATOM 1237 C ALA A 79 -8.129 -13.640 2.164 1.00 0.00 C ATOM 1238 O ALA A 79 -8.780 -14.599 1.750 1.00 0.00 O ATOM 1239 CB ALA A 79 -9.500 -13.350 4.239 1.00 0.00 C ATOM 0 H ALA A 79 -7.795 -11.278 3.230 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.482 -14.049 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.937 -14.332 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.452 -13.168 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.118 -12.585 3.769 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.423 -12.846 1.367 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.369 -13.062 -0.075 1.00 0.00 C ATOM 1247 C LYS A 80 -8.556 -13.897 -0.543 1.00 0.00 C ATOM 1248 O LYS A 80 -9.523 -13.306 -1.069 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.060 -13.754 -0.459 1.00 0.00 C ATOM 1250 CG LYS A 80 -4.829 -12.889 -0.245 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.317 -12.993 1.183 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.317 -14.128 1.335 1.00 0.00 C ATOM 1253 NZ LYS A 80 -2.267 -13.812 2.341 1.00 0.00 N ATOM 1254 OXT LYS A 80 -8.508 -15.135 -0.383 1.00 0.00 O ATOM 0 H LYS A 80 -6.880 -12.047 1.694 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.415 -12.090 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.957 -14.668 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.109 -14.049 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.044 -13.194 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.069 -11.850 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.848 -12.052 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.156 -13.152 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.841 -15.037 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.848 -14.330 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.499 -14.510 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.888 -12.861 2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.679 -13.845 3.295 1.00 0.00 H new