USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.27 K(o=-0.27,f=-0.95) USER MOD Single : A 9 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 15 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.6) USER MOD Single : A 18 GLN : amide:sc= 0.205 K(o=0.21,f=-5.1!) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.1) USER MOD Single : A 31 SER OG : rot -41:sc= 0.448 USER MOD Single : A 34 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.17) USER MOD Single : A 44 GLN : amide:sc= 0.513 K(o=0.51,f=-0.93) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.00581) USER MOD Single : A 46 HIS : no HD1:sc= -0.01! C(o=-0.01!,f=-3.5!) USER MOD Single : A 48 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.29) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -1.37 (180deg=-3.32!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0988 F(o=-0.9,f=-0.099) USER MOD Single : A 67 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.9) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 73 GLN : amide:sc=-0.00752 K(o=-0.0075,f=-0.99) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -0.0378 (180deg=-0.28) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 64:sc= 1.14 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 13.088 7.251 11.083 1.00 0.00 N ATOM 65 CA LYS A 5 13.072 6.333 9.953 1.00 0.00 C ATOM 66 C LYS A 5 11.768 5.561 9.888 1.00 0.00 C ATOM 67 O LYS A 5 11.303 5.211 8.811 1.00 0.00 O ATOM 68 CB LYS A 5 14.272 5.381 9.975 1.00 0.00 C ATOM 69 CG LYS A 5 14.286 4.391 11.132 1.00 0.00 C ATOM 70 CD LYS A 5 15.490 3.464 11.046 1.00 0.00 C ATOM 71 CE LYS A 5 15.449 2.613 9.782 1.00 0.00 C ATOM 72 NZ LYS A 5 16.668 1.789 9.630 1.00 0.00 N ATOM 0 HA LYS A 5 13.151 6.937 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.291 4.823 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.186 5.973 10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.307 4.933 12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.369 3.802 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.407 4.054 11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.515 2.816 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.574 1.964 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.338 3.261 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.600 1.226 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.502 2.409 9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.761 1.152 10.447 1.00 0.00 H new ATOM 86 N LEU A 6 11.169 5.320 11.044 1.00 0.00 N ATOM 87 CA LEU A 6 9.908 4.597 11.112 1.00 0.00 C ATOM 88 C LEU A 6 8.817 5.423 10.441 1.00 0.00 C ATOM 89 O LEU A 6 8.031 4.907 9.639 1.00 0.00 O ATOM 90 CB LEU A 6 9.554 4.313 12.587 1.00 0.00 C ATOM 91 CG LEU A 6 8.393 3.337 12.867 1.00 0.00 C ATOM 92 CD1 LEU A 6 8.425 2.896 14.322 1.00 0.00 C ATOM 93 CD2 LEU A 6 7.046 3.973 12.557 1.00 0.00 C ATOM 0 H LEU A 6 11.536 5.615 11.949 1.00 0.00 H new ATOM 0 HA LEU A 6 9.996 3.644 10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.446 3.924 13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.317 5.264 13.065 1.00 0.00 H new ATOM 0 HG LEU A 6 8.520 2.471 12.217 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.602 2.207 14.512 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.371 2.397 14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.325 3.768 14.969 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.250 3.258 12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.910 4.859 13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.012 4.258 11.506 1.00 0.00 H new ATOM 105 N ARG A 7 8.795 6.710 10.757 1.00 0.00 N ATOM 106 CA ARG A 7 7.822 7.619 10.192 1.00 0.00 C ATOM 107 C ARG A 7 8.065 7.783 8.697 1.00 0.00 C ATOM 108 O ARG A 7 7.127 7.781 7.906 1.00 0.00 O ATOM 109 CB ARG A 7 7.898 8.978 10.894 1.00 0.00 C ATOM 110 CG ARG A 7 6.826 9.970 10.461 1.00 0.00 C ATOM 111 CD ARG A 7 5.439 9.532 10.909 1.00 0.00 C ATOM 112 NE ARG A 7 4.409 10.475 10.474 1.00 0.00 N ATOM 113 CZ ARG A 7 3.137 10.463 10.885 1.00 0.00 C ATOM 114 NH1 ARG A 7 2.726 9.571 11.784 1.00 0.00 N ATOM 115 NH2 ARG A 7 2.281 11.357 10.402 1.00 0.00 N ATOM 0 H ARG A 7 9.448 7.146 11.408 1.00 0.00 H new ATOM 0 HA ARG A 7 6.825 7.205 10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.819 8.823 11.970 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.878 9.416 10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.050 10.952 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.842 10.073 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.221 8.543 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.418 9.445 11.995 1.00 0.00 H new ATOM 0 HE ARG A 7 4.682 11.196 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.383 8.890 12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.754 9.569 12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.596 12.048 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.309 11.352 10.712 1.00 0.00 H new ATOM 129 N GLN A 8 9.336 7.903 8.317 1.00 0.00 N ATOM 130 CA GLN A 8 9.699 8.075 6.918 1.00 0.00 C ATOM 131 C GLN A 8 9.326 6.855 6.086 1.00 0.00 C ATOM 132 O GLN A 8 8.779 6.997 5.010 1.00 0.00 O ATOM 133 CB GLN A 8 11.189 8.375 6.757 1.00 0.00 C ATOM 134 CG GLN A 8 11.644 9.675 7.404 1.00 0.00 C ATOM 135 CD GLN A 8 10.842 10.881 6.956 1.00 0.00 C ATOM 136 OE1 GLN A 8 10.324 10.927 5.838 1.00 0.00 O ATOM 137 NE2 GLN A 8 10.744 11.871 7.822 1.00 0.00 N ATOM 0 H GLN A 8 10.128 7.884 8.960 1.00 0.00 H new ATOM 0 HA GLN A 8 9.131 8.930 6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.761 7.551 7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.427 8.410 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.569 9.579 8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.696 9.840 7.171 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.187 11.794 8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.225 12.714 7.576 1.00 0.00 H new ATOM 146 N THR A 9 9.608 5.657 6.596 1.00 0.00 N ATOM 147 CA THR A 9 9.301 4.436 5.855 1.00 0.00 C ATOM 148 C THR A 9 7.796 4.326 5.587 1.00 0.00 C ATOM 149 O THR A 9 7.376 3.981 4.480 1.00 0.00 O ATOM 150 CB THR A 9 9.793 3.176 6.603 1.00 0.00 C ATOM 151 OG1 THR A 9 11.201 3.287 6.860 1.00 0.00 O ATOM 152 CG2 THR A 9 9.535 1.919 5.780 1.00 0.00 C ATOM 0 H THR A 9 10.042 5.507 7.507 1.00 0.00 H new ATOM 0 HA THR A 9 9.830 4.496 4.904 1.00 0.00 H new ATOM 0 HB THR A 9 9.245 3.100 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.349 3.890 7.618 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.890 1.046 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.466 1.820 5.593 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.064 1.991 4.830 1.00 0.00 H new ATOM 160 N GLY A 10 6.993 4.645 6.596 1.00 0.00 N ATOM 161 CA GLY A 10 5.555 4.617 6.425 1.00 0.00 C ATOM 162 C GLY A 10 5.091 5.694 5.464 1.00 0.00 C ATOM 163 O GLY A 10 4.220 5.460 4.624 1.00 0.00 O ATOM 0 H GLY A 10 7.312 4.921 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.250 3.639 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.069 4.755 7.391 1.00 0.00 H new ATOM 167 N ASP A 11 5.693 6.870 5.585 1.00 0.00 N ATOM 168 CA ASP A 11 5.366 8.012 4.737 1.00 0.00 C ATOM 169 C ASP A 11 5.738 7.734 3.283 1.00 0.00 C ATOM 170 O ASP A 11 4.943 7.963 2.372 1.00 0.00 O ATOM 171 CB ASP A 11 6.116 9.251 5.233 1.00 0.00 C ATOM 172 CG ASP A 11 5.744 10.512 4.486 1.00 0.00 C ATOM 173 OD1 ASP A 11 4.866 11.253 4.971 1.00 0.00 O ATOM 174 OD2 ASP A 11 6.335 10.778 3.423 1.00 0.00 O1- ATOM 0 H ASP A 11 6.422 7.060 6.273 1.00 0.00 H new ATOM 0 HA ASP A 11 4.291 8.186 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.911 9.391 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.188 9.082 5.135 1.00 0.00 H new ATOM 179 N GLU A 12 6.938 7.210 3.081 1.00 0.00 N ATOM 180 CA GLU A 12 7.437 6.895 1.752 1.00 0.00 C ATOM 181 C GLU A 12 6.620 5.797 1.101 1.00 0.00 C ATOM 182 O GLU A 12 6.421 5.800 -0.118 1.00 0.00 O ATOM 183 CB GLU A 12 8.913 6.523 1.792 1.00 0.00 C ATOM 184 CG GLU A 12 9.806 7.670 2.232 1.00 0.00 C ATOM 185 CD GLU A 12 11.267 7.344 2.118 1.00 0.00 C ATOM 186 OE1 GLU A 12 11.880 6.956 3.133 1.00 0.00 O ATOM 187 OE2 GLU A 12 11.819 7.483 1.006 1.00 0.00 O1- ATOM 0 H GLU A 12 7.592 6.992 3.833 1.00 0.00 H new ATOM 0 HA GLU A 12 7.333 7.793 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.051 5.682 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.224 6.188 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.586 8.549 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.575 7.929 3.265 1.00 0.00 H new ATOM 194 N LEU A 13 6.158 4.847 1.907 1.00 0.00 N ATOM 195 CA LEU A 13 5.301 3.787 1.404 1.00 0.00 C ATOM 196 C LEU A 13 4.033 4.405 0.823 1.00 0.00 C ATOM 197 O LEU A 13 3.592 4.036 -0.263 1.00 0.00 O ATOM 198 CB LEU A 13 4.954 2.796 2.524 1.00 0.00 C ATOM 199 CG LEU A 13 4.094 1.593 2.114 1.00 0.00 C ATOM 200 CD1 LEU A 13 4.798 0.761 1.053 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.762 0.738 3.326 1.00 0.00 C ATOM 0 H LEU A 13 6.363 4.792 2.905 1.00 0.00 H new ATOM 0 HA LEU A 13 5.826 3.237 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.884 2.423 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.433 3.338 3.313 1.00 0.00 H new ATOM 0 HG LEU A 13 3.163 1.970 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.169 -0.086 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.984 1.376 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.746 0.396 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.152 -0.110 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.685 0.375 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.211 1.335 4.053 1.00 0.00 H new ATOM 213 N VAL A 14 3.472 5.375 1.547 1.00 0.00 N ATOM 214 CA VAL A 14 2.301 6.108 1.083 1.00 0.00 C ATOM 215 C VAL A 14 2.623 6.860 -0.202 1.00 0.00 C ATOM 216 O VAL A 14 1.808 6.920 -1.114 1.00 0.00 O ATOM 217 CB VAL A 14 1.780 7.103 2.150 1.00 0.00 C ATOM 218 CG1 VAL A 14 0.649 7.966 1.590 1.00 0.00 C ATOM 219 CG2 VAL A 14 1.309 6.355 3.385 1.00 0.00 C ATOM 0 H VAL A 14 3.815 5.670 2.461 1.00 0.00 H new ATOM 0 HA VAL A 14 1.516 5.376 0.894 1.00 0.00 H new ATOM 0 HB VAL A 14 2.603 7.761 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.302 8.655 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.014 8.533 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.176 7.326 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.946 7.068 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.504 5.673 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.139 5.787 3.805 1.00 0.00 H new ATOM 229 N GLN A 15 3.835 7.407 -0.271 1.00 0.00 N ATOM 230 CA GLN A 15 4.278 8.161 -1.440 1.00 0.00 C ATOM 231 C GLN A 15 4.257 7.296 -2.690 1.00 0.00 C ATOM 232 O GLN A 15 3.915 7.770 -3.766 1.00 0.00 O ATOM 233 CB GLN A 15 5.682 8.727 -1.227 1.00 0.00 C ATOM 234 CG GLN A 15 5.769 9.771 -0.133 1.00 0.00 C ATOM 235 CD GLN A 15 7.178 10.288 0.062 1.00 0.00 C ATOM 236 OE1 GLN A 15 8.154 9.570 -0.156 1.00 0.00 O ATOM 237 NE2 GLN A 15 7.294 11.532 0.466 1.00 0.00 N ATOM 0 H GLN A 15 4.530 7.341 0.473 1.00 0.00 H new ATOM 0 HA GLN A 15 3.582 8.989 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.360 7.908 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.031 9.166 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.110 10.604 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.409 9.343 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.459 12.093 0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.219 11.937 0.610 1.00 0.00 H new ATOM 246 N ALA A 16 4.626 6.026 -2.549 1.00 0.00 N ATOM 247 CA ALA A 16 4.602 5.104 -3.678 1.00 0.00 C ATOM 248 C ALA A 16 3.178 4.955 -4.213 1.00 0.00 C ATOM 249 O ALA A 16 2.947 5.012 -5.420 1.00 0.00 O ATOM 250 CB ALA A 16 5.162 3.749 -3.270 1.00 0.00 C ATOM 0 H ALA A 16 4.943 5.615 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 16 5.229 5.511 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.137 3.073 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.191 3.868 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.560 3.335 -2.462 1.00 0.00 H new ATOM 256 N PHE A 17 2.229 4.785 -3.301 1.00 0.00 N ATOM 257 CA PHE A 17 0.818 4.682 -3.665 1.00 0.00 C ATOM 258 C PHE A 17 0.297 6.013 -4.187 1.00 0.00 C ATOM 259 O PHE A 17 -0.494 6.060 -5.126 1.00 0.00 O ATOM 260 CB PHE A 17 -0.020 4.214 -2.477 1.00 0.00 C ATOM 261 CG PHE A 17 0.250 2.795 -2.075 1.00 0.00 C ATOM 262 CD1 PHE A 17 1.201 2.501 -1.117 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.447 1.754 -2.660 1.00 0.00 C ATOM 264 CE1 PHE A 17 1.455 1.198 -0.748 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.200 0.449 -2.295 1.00 0.00 C ATOM 266 CZ PHE A 17 0.754 0.171 -1.337 1.00 0.00 C ATOM 0 H PHE A 17 2.410 4.715 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 17 0.731 3.940 -4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.174 4.867 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.076 4.318 -2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.753 3.304 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.193 1.966 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.202 0.983 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.752 -0.356 -2.758 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.950 -0.852 -1.050 1.00 0.00 H new ATOM 276 N GLN A 18 0.741 7.092 -3.565 1.00 0.00 N ATOM 277 CA GLN A 18 0.357 8.425 -3.967 1.00 0.00 C ATOM 278 C GLN A 18 0.867 8.708 -5.379 1.00 0.00 C ATOM 279 O GLN A 18 0.181 9.335 -6.185 1.00 0.00 O ATOM 280 CB GLN A 18 0.914 9.443 -2.974 1.00 0.00 C ATOM 281 CG GLN A 18 0.307 10.824 -3.091 1.00 0.00 C ATOM 282 CD GLN A 18 -1.204 10.816 -2.928 1.00 0.00 C ATOM 283 OE1 GLN A 18 -1.766 9.958 -2.247 1.00 0.00 O ATOM 284 NE2 GLN A 18 -1.870 11.763 -3.554 1.00 0.00 N ATOM 0 H GLN A 18 1.377 7.064 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.730 8.505 -3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.752 9.072 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.992 9.520 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.746 11.475 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.561 11.247 -4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.369 12.457 -4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.887 11.803 -3.484 1.00 0.00 H new ATOM 293 N ARG A 19 2.072 8.228 -5.669 1.00 0.00 N ATOM 294 CA ARG A 19 2.656 8.359 -6.995 1.00 0.00 C ATOM 295 C ARG A 19 1.846 7.523 -7.979 1.00 0.00 C ATOM 296 O ARG A 19 1.611 7.925 -9.116 1.00 0.00 O ATOM 297 CB ARG A 19 4.112 7.866 -6.989 1.00 0.00 C ATOM 298 CG ARG A 19 4.918 8.308 -8.201 1.00 0.00 C ATOM 299 CD ARG A 19 5.941 7.256 -8.619 1.00 0.00 C ATOM 300 NE ARG A 19 6.849 6.859 -7.532 1.00 0.00 N ATOM 301 CZ ARG A 19 7.690 5.814 -7.612 1.00 0.00 C ATOM 302 NH1 ARG A 19 7.776 5.125 -8.735 1.00 0.00 N ATOM 303 NH2 ARG A 19 8.456 5.480 -6.579 1.00 0.00 N ATOM 0 H ARG A 19 2.665 7.742 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 19 2.640 9.408 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.604 8.228 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.116 6.777 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.243 8.508 -9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.431 9.243 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.415 6.374 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.530 7.643 -9.451 1.00 0.00 H new ATOM 0 HE ARG A 19 6.840 7.406 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.205 5.386 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.413 4.331 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.409 6.019 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.091 4.685 -6.651 1.00 0.00 H new ATOM 317 N LEU A 20 1.412 6.354 -7.509 1.00 0.00 N ATOM 318 CA LEU A 20 0.607 5.436 -8.302 1.00 0.00 C ATOM 319 C LEU A 20 -0.710 6.101 -8.695 1.00 0.00 C ATOM 320 O LEU A 20 -1.194 5.933 -9.811 1.00 0.00 O ATOM 321 CB LEU A 20 0.319 4.164 -7.496 1.00 0.00 C ATOM 322 CG LEU A 20 -0.214 2.973 -8.287 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.886 2.370 -9.145 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.800 1.928 -7.349 1.00 0.00 C ATOM 0 H LEU A 20 1.611 6.020 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 20 1.159 5.174 -9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.238 3.860 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.402 4.408 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.009 3.323 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.489 1.522 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.256 3.121 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.703 2.034 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.175 1.086 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.027 1.580 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.618 2.368 -6.779 1.00 0.00 H new ATOM 336 N ARG A 21 -1.276 6.860 -7.759 1.00 0.00 N ATOM 337 CA ARG A 21 -2.527 7.573 -7.989 1.00 0.00 C ATOM 338 C ARG A 21 -2.365 8.564 -9.138 1.00 0.00 C ATOM 339 O ARG A 21 -3.246 8.696 -9.988 1.00 0.00 O ATOM 340 CB ARG A 21 -2.952 8.316 -6.728 1.00 0.00 C ATOM 341 CG ARG A 21 -4.435 8.622 -6.682 1.00 0.00 C ATOM 342 CD ARG A 21 -4.770 9.605 -5.580 1.00 0.00 C ATOM 343 NE ARG A 21 -4.215 9.214 -4.279 1.00 0.00 N ATOM 344 CZ ARG A 21 -4.946 8.929 -3.194 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.276 8.880 -3.270 1.00 0.00 N ATOM 346 NH2 ARG A 21 -4.345 8.681 -2.040 1.00 0.00 N ATOM 0 H ARG A 21 -0.883 6.996 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.296 6.846 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.684 7.719 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.393 9.249 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.752 9.029 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.993 7.698 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.390 10.590 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.853 9.694 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.200 9.155 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.743 9.060 -4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.827 8.662 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.327 8.707 -1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.900 8.464 -1.212 1.00 0.00 H new ATOM 360 N GLU A 22 -1.225 9.243 -9.157 1.00 0.00 N ATOM 361 CA GLU A 22 -0.910 10.203 -10.208 1.00 0.00 C ATOM 362 C GLU A 22 -0.806 9.494 -11.549 1.00 0.00 C ATOM 363 O GLU A 22 -1.322 9.966 -12.557 1.00 0.00 O ATOM 364 CB GLU A 22 0.405 10.908 -9.894 1.00 0.00 C ATOM 365 CG GLU A 22 0.408 11.631 -8.563 1.00 0.00 C ATOM 366 CD GLU A 22 -0.568 12.781 -8.526 1.00 0.00 C ATOM 367 OE1 GLU A 22 -0.139 13.922 -8.759 1.00 0.00 O ATOM 368 OE2 GLU A 22 -1.766 12.551 -8.260 1.00 0.00 O1- ATOM 0 H GLU A 22 -0.497 9.145 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.709 10.943 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.211 10.174 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.621 11.624 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.162 10.925 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.412 12.004 -8.358 1.00 0.00 H new ATOM 375 N ILE A 23 -0.139 8.354 -11.541 1.00 0.00 N ATOM 376 CA ILE A 23 0.019 7.540 -12.733 1.00 0.00 C ATOM 377 C ILE A 23 -1.340 7.064 -13.232 1.00 0.00 C ATOM 378 O ILE A 23 -1.610 7.058 -14.436 1.00 0.00 O ATOM 379 CB ILE A 23 0.926 6.332 -12.445 1.00 0.00 C ATOM 380 CG1 ILE A 23 2.316 6.818 -12.051 1.00 0.00 C ATOM 381 CG2 ILE A 23 0.998 5.408 -13.646 1.00 0.00 C ATOM 382 CD1 ILE A 23 3.275 5.711 -11.717 1.00 0.00 C ATOM 0 H ILE A 23 0.308 7.967 -10.710 1.00 0.00 H new ATOM 0 HA ILE A 23 0.486 8.150 -13.506 1.00 0.00 H new ATOM 0 HB ILE A 23 0.502 5.763 -11.618 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.729 7.409 -12.868 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.228 7.481 -11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.646 4.562 -13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.001 5.045 -13.886 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.402 5.952 -14.500 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.242 6.136 -11.447 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.886 5.133 -10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.394 5.060 -12.583 1.00 0.00 H new ATOM 394 N PHE A 24 -2.193 6.684 -12.295 1.00 0.00 N ATOM 395 CA PHE A 24 -3.555 6.274 -12.595 1.00 0.00 C ATOM 396 C PHE A 24 -4.314 7.419 -13.264 1.00 0.00 C ATOM 397 O PHE A 24 -5.080 7.212 -14.207 1.00 0.00 O ATOM 398 CB PHE A 24 -4.256 5.840 -11.296 1.00 0.00 C ATOM 399 CG PHE A 24 -5.751 5.722 -11.395 1.00 0.00 C ATOM 400 CD1 PHE A 24 -6.338 4.673 -12.081 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.570 6.663 -10.787 1.00 0.00 C ATOM 402 CE1 PHE A 24 -7.712 4.565 -12.160 1.00 0.00 C ATOM 403 CE2 PHE A 24 -7.942 6.562 -10.863 1.00 0.00 C ATOM 404 CZ PHE A 24 -8.516 5.513 -11.549 1.00 0.00 C ATOM 0 H PHE A 24 -1.960 6.651 -11.303 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.538 5.430 -13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.850 4.878 -10.985 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.013 6.557 -10.512 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.715 3.932 -12.559 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.126 7.486 -10.247 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.160 3.742 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.566 7.303 -10.386 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.591 5.431 -11.610 1.00 0.00 H new ATOM 414 N ASP A 25 -4.072 8.627 -12.773 1.00 0.00 N ATOM 415 CA ASP A 25 -4.699 9.833 -13.305 1.00 0.00 C ATOM 416 C ASP A 25 -4.261 10.098 -14.746 1.00 0.00 C ATOM 417 O ASP A 25 -5.043 10.587 -15.559 1.00 0.00 O ATOM 418 CB ASP A 25 -4.346 11.038 -12.421 1.00 0.00 C ATOM 419 CG ASP A 25 -4.909 12.349 -12.936 1.00 0.00 C ATOM 420 OD1 ASP A 25 -6.089 12.645 -12.656 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.169 13.107 -13.599 1.00 0.00 O1- ATOM 0 H ASP A 25 -3.436 8.800 -11.995 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.779 9.683 -13.303 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.721 10.862 -11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.262 11.121 -12.348 1.00 0.00 H new ATOM 426 N LYS A 26 -3.013 9.757 -15.058 1.00 0.00 N ATOM 427 CA LYS A 26 -2.467 9.998 -16.393 1.00 0.00 C ATOM 428 C LYS A 26 -2.725 8.811 -17.324 1.00 0.00 C ATOM 429 O LYS A 26 -2.617 8.936 -18.545 1.00 0.00 O ATOM 430 CB LYS A 26 -0.956 10.280 -16.322 1.00 0.00 C ATOM 431 CG LYS A 26 -0.551 11.269 -15.233 1.00 0.00 C ATOM 432 CD LYS A 26 -1.349 12.558 -15.309 1.00 0.00 C ATOM 433 CE LYS A 26 -1.004 13.491 -14.157 1.00 0.00 C ATOM 434 NZ LYS A 26 -1.907 14.665 -14.108 1.00 0.00 N ATOM 0 H LYS A 26 -2.363 9.315 -14.409 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.975 10.873 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.430 9.340 -16.156 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.625 10.664 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.696 10.810 -14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.511 11.495 -15.325 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.148 13.057 -16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.415 12.330 -15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.067 12.945 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.027 13.830 -14.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.608 15.301 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.866 15.172 -15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.881 14.346 -13.933 1.00 0.00 H new ATOM 448 N GLY A 27 -3.052 7.662 -16.740 1.00 0.00 N ATOM 449 CA GLY A 27 -3.320 6.472 -17.528 1.00 0.00 C ATOM 450 C GLY A 27 -2.055 5.866 -18.108 1.00 0.00 C ATOM 451 O GLY A 27 -2.091 5.204 -19.149 1.00 0.00 O ATOM 0 H GLY A 27 -3.136 7.534 -15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.822 5.732 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.004 6.723 -18.338 1.00 0.00 H new ATOM 455 N ASP A 28 -0.939 6.088 -17.434 1.00 0.00 N ATOM 456 CA ASP A 28 0.349 5.596 -17.907 1.00 0.00 C ATOM 457 C ASP A 28 0.590 4.164 -17.438 1.00 0.00 C ATOM 458 O ASP A 28 1.079 3.930 -16.337 1.00 0.00 O ATOM 459 CB ASP A 28 1.477 6.509 -17.437 1.00 0.00 C ATOM 460 CG ASP A 28 2.786 6.216 -18.131 1.00 0.00 C ATOM 461 OD1 ASP A 28 3.398 5.169 -17.848 1.00 0.00 O ATOM 462 OD2 ASP A 28 3.220 7.048 -18.958 1.00 0.00 O1- ATOM 0 H ASP A 28 -0.896 6.606 -16.556 1.00 0.00 H new ATOM 0 HA ASP A 28 0.333 5.599 -18.997 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.199 7.547 -17.617 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.607 6.396 -16.361 1.00 0.00 H new ATOM 467 N ASP A 29 0.224 3.219 -18.276 1.00 0.00 N ATOM 468 CA ASP A 29 0.341 1.794 -17.958 1.00 0.00 C ATOM 469 C ASP A 29 1.797 1.334 -17.811 1.00 0.00 C ATOM 470 O ASP A 29 2.083 0.412 -17.046 1.00 0.00 O ATOM 471 CB ASP A 29 -0.370 0.953 -19.025 1.00 0.00 C ATOM 472 CG ASP A 29 0.113 1.256 -20.429 1.00 0.00 C ATOM 473 OD1 ASP A 29 -0.349 2.257 -21.014 1.00 0.00 O ATOM 474 OD2 ASP A 29 0.946 0.498 -20.959 1.00 0.00 O1- ATOM 0 H ASP A 29 -0.165 3.407 -19.200 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.139 1.647 -16.991 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.213 -0.104 -18.812 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.443 1.134 -18.968 1.00 0.00 H new ATOM 479 N ASP A 30 2.714 1.983 -18.517 1.00 0.00 N ATOM 480 CA ASP A 30 4.124 1.579 -18.482 1.00 0.00 C ATOM 481 C ASP A 30 4.745 1.802 -17.114 1.00 0.00 C ATOM 482 O ASP A 30 5.366 0.897 -16.551 1.00 0.00 O ATOM 483 CB ASP A 30 4.938 2.299 -19.556 1.00 0.00 C ATOM 484 CG ASP A 30 4.679 1.751 -20.939 1.00 0.00 C ATOM 485 OD1 ASP A 30 5.074 0.599 -21.208 1.00 0.00 O ATOM 486 OD2 ASP A 30 4.087 2.463 -21.767 1.00 0.00 O1- ATOM 0 H ASP A 30 2.516 2.784 -19.117 1.00 0.00 H new ATOM 0 HA ASP A 30 4.147 0.509 -18.690 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.698 3.362 -19.539 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.999 2.208 -19.325 1.00 0.00 H new ATOM 491 N SER A 31 4.582 2.995 -16.580 1.00 0.00 N ATOM 492 CA SER A 31 5.109 3.310 -15.265 1.00 0.00 C ATOM 493 C SER A 31 4.310 2.604 -14.169 1.00 0.00 C ATOM 494 O SER A 31 4.855 2.250 -13.124 1.00 0.00 O ATOM 495 CB SER A 31 5.162 4.821 -15.034 1.00 0.00 C ATOM 496 OG SER A 31 3.912 5.429 -15.291 1.00 0.00 O ATOM 0 H SER A 31 4.089 3.763 -17.035 1.00 0.00 H new ATOM 0 HA SER A 31 6.133 2.938 -15.219 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.461 5.022 -14.005 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.922 5.262 -15.679 1.00 0.00 H new ATOM 0 HG SER A 31 3.511 5.027 -16.090 1.00 0.00 H new ATOM 502 N LEU A 32 3.021 2.381 -14.431 1.00 0.00 N ATOM 503 CA LEU A 32 2.126 1.755 -13.459 1.00 0.00 C ATOM 504 C LEU A 32 2.635 0.366 -13.068 1.00 0.00 C ATOM 505 O LEU A 32 2.707 0.038 -11.885 1.00 0.00 O ATOM 506 CB LEU A 32 0.717 1.629 -14.057 1.00 0.00 C ATOM 507 CG LEU A 32 -0.378 1.141 -13.106 1.00 0.00 C ATOM 508 CD1 LEU A 32 -0.805 2.252 -12.165 1.00 0.00 C ATOM 509 CD2 LEU A 32 -1.569 0.610 -13.886 1.00 0.00 C ATOM 0 H LEU A 32 2.573 2.627 -15.314 1.00 0.00 H new ATOM 0 HA LEU A 32 2.095 2.382 -12.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.422 2.603 -14.448 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.764 0.946 -14.905 1.00 0.00 H new ATOM 0 HG LEU A 32 0.028 0.325 -12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.584 1.884 -11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.052 2.580 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.190 3.091 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.336 0.268 -13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.976 1.403 -14.514 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.251 -0.223 -14.514 1.00 0.00 H new ATOM 521 N GLU A 33 3.016 -0.428 -14.064 1.00 0.00 N ATOM 522 CA GLU A 33 3.536 -1.775 -13.818 1.00 0.00 C ATOM 523 C GLU A 33 4.815 -1.720 -12.981 1.00 0.00 C ATOM 524 O GLU A 33 5.019 -2.534 -12.077 1.00 0.00 O ATOM 525 CB GLU A 33 3.828 -2.488 -15.141 1.00 0.00 C ATOM 526 CG GLU A 33 2.615 -2.687 -16.036 1.00 0.00 C ATOM 527 CD GLU A 33 1.549 -3.558 -15.405 1.00 0.00 C ATOM 528 OE1 GLU A 33 1.868 -4.696 -14.987 1.00 0.00 O ATOM 529 OE2 GLU A 33 0.389 -3.129 -15.345 1.00 0.00 O1- ATOM 0 H GLU A 33 2.976 -0.165 -15.049 1.00 0.00 H new ATOM 0 HA GLU A 33 2.775 -2.330 -13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.577 -1.916 -15.689 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.266 -3.462 -14.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.186 -1.715 -16.278 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.934 -3.137 -16.976 1.00 0.00 H new ATOM 536 N GLN A 34 5.657 -0.743 -13.282 1.00 0.00 N ATOM 537 CA GLN A 34 6.943 -0.589 -12.611 1.00 0.00 C ATOM 538 C GLN A 34 6.775 -0.207 -11.143 1.00 0.00 C ATOM 539 O GLN A 34 7.429 -0.775 -10.269 1.00 0.00 O ATOM 540 CB GLN A 34 7.795 0.452 -13.336 1.00 0.00 C ATOM 541 CG GLN A 34 8.095 0.094 -14.784 1.00 0.00 C ATOM 542 CD GLN A 34 8.850 -1.214 -14.915 1.00 0.00 C ATOM 543 OE1 GLN A 34 8.251 -2.282 -15.032 1.00 0.00 O ATOM 544 NE2 GLN A 34 10.164 -1.140 -14.896 1.00 0.00 N ATOM 0 H GLN A 34 5.471 -0.037 -13.994 1.00 0.00 H new ATOM 0 HA GLN A 34 7.450 -1.553 -12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.282 1.413 -13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.735 0.577 -12.799 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.160 0.027 -15.339 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.679 0.894 -15.239 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.622 -0.234 -14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.724 -1.988 -14.980 1.00 0.00 H new ATOM 553 N VAL A 35 5.891 0.743 -10.876 1.00 0.00 N ATOM 554 CA VAL A 35 5.648 1.190 -9.507 1.00 0.00 C ATOM 555 C VAL A 35 5.067 0.066 -8.661 1.00 0.00 C ATOM 556 O VAL A 35 5.376 -0.050 -7.477 1.00 0.00 O ATOM 557 CB VAL A 35 4.724 2.427 -9.462 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.473 2.872 -8.025 1.00 0.00 C ATOM 559 CG2 VAL A 35 5.339 3.554 -10.260 1.00 0.00 C ATOM 0 H VAL A 35 5.331 1.219 -11.583 1.00 0.00 H new ATOM 0 HA VAL A 35 6.612 1.479 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 35 3.764 2.157 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.820 3.744 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.998 2.062 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.421 3.128 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.684 4.424 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.309 3.813 -9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.468 3.238 -11.295 1.00 0.00 H new ATOM 569 N LEU A 36 4.239 -0.774 -9.274 1.00 0.00 N ATOM 570 CA LEU A 36 3.668 -1.917 -8.569 1.00 0.00 C ATOM 571 C LEU A 36 4.782 -2.842 -8.083 1.00 0.00 C ATOM 572 O LEU A 36 4.700 -3.412 -6.995 1.00 0.00 O ATOM 573 CB LEU A 36 2.692 -2.679 -9.470 1.00 0.00 C ATOM 574 CG LEU A 36 1.456 -1.896 -9.925 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.605 -2.734 -10.856 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.635 -1.436 -8.731 1.00 0.00 C ATOM 0 H LEU A 36 3.950 -0.687 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 36 3.114 -1.550 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.231 -3.016 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.359 -3.572 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 36 1.798 -1.014 -10.466 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.267 -2.160 -11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.190 -3.010 -11.733 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.279 -3.636 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.237 -0.883 -9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.308 -2.304 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.244 -0.791 -8.097 1.00 0.00 H new ATOM 588 N GLU A 37 5.834 -2.965 -8.893 1.00 0.00 N ATOM 589 CA GLU A 37 6.998 -3.762 -8.524 1.00 0.00 C ATOM 590 C GLU A 37 7.696 -3.127 -7.328 1.00 0.00 C ATOM 591 O GLU A 37 8.134 -3.821 -6.405 1.00 0.00 O ATOM 592 CB GLU A 37 7.973 -3.865 -9.699 1.00 0.00 C ATOM 593 CG GLU A 37 7.388 -4.531 -10.931 1.00 0.00 C ATOM 594 CD GLU A 37 7.054 -5.988 -10.702 1.00 0.00 C ATOM 595 OE1 GLU A 37 5.939 -6.282 -10.220 1.00 0.00 O ATOM 596 OE2 GLU A 37 7.905 -6.853 -11.013 1.00 0.00 O1- ATOM 0 H GLU A 37 5.901 -2.521 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 37 6.665 -4.766 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.311 -2.864 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.853 -4.424 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.486 -3.999 -11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.097 -4.450 -11.755 1.00 0.00 H new ATOM 603 N GLU A 38 7.785 -1.797 -7.353 1.00 0.00 N ATOM 604 CA GLU A 38 8.386 -1.035 -6.265 1.00 0.00 C ATOM 605 C GLU A 38 7.599 -1.225 -4.986 1.00 0.00 C ATOM 606 O GLU A 38 8.168 -1.457 -3.922 1.00 0.00 O ATOM 607 CB GLU A 38 8.427 0.454 -6.604 1.00 0.00 C ATOM 608 CG GLU A 38 9.382 0.833 -7.714 1.00 0.00 C ATOM 609 CD GLU A 38 9.398 2.327 -7.952 1.00 0.00 C ATOM 610 OE1 GLU A 38 8.902 2.771 -9.001 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.890 3.072 -7.068 1.00 0.00 O1- ATOM 0 H GLU A 38 7.444 -1.223 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 38 9.403 -1.402 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.424 0.775 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.700 1.008 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.387 0.494 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.094 0.321 -8.632 1.00 0.00 H new ATOM 618 N ILE A 39 6.286 -1.131 -5.105 1.00 0.00 N ATOM 619 CA ILE A 39 5.393 -1.296 -3.976 1.00 0.00 C ATOM 620 C ILE A 39 5.568 -2.675 -3.361 1.00 0.00 C ATOM 621 O ILE A 39 5.596 -2.820 -2.145 1.00 0.00 O ATOM 622 CB ILE A 39 3.915 -1.094 -4.402 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.682 0.359 -4.838 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.965 -1.478 -3.276 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.287 0.628 -5.363 1.00 0.00 C ATOM 0 H ILE A 39 5.811 -0.938 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 39 5.646 -0.538 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 39 3.710 -1.749 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.873 1.017 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.406 0.616 -5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.936 -1.327 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.113 -2.526 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.165 -0.856 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.202 1.676 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.097 -0.003 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.556 0.404 -4.586 1.00 0.00 H new ATOM 637 N GLU A 40 5.734 -3.672 -4.217 1.00 0.00 N ATOM 638 CA GLU A 40 5.906 -5.048 -3.774 1.00 0.00 C ATOM 639 C GLU A 40 7.173 -5.158 -2.925 1.00 0.00 C ATOM 640 O GLU A 40 7.166 -5.753 -1.847 1.00 0.00 O ATOM 641 CB GLU A 40 5.974 -5.976 -5.003 1.00 0.00 C ATOM 642 CG GLU A 40 5.865 -7.473 -4.707 1.00 0.00 C ATOM 643 CD GLU A 40 7.120 -8.063 -4.094 1.00 0.00 C ATOM 644 OE1 GLU A 40 8.230 -7.769 -4.598 1.00 0.00 O ATOM 645 OE2 GLU A 40 7.003 -8.845 -3.126 1.00 0.00 O1- ATOM 0 H GLU A 40 5.753 -3.552 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 40 5.058 -5.353 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.173 -5.700 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.915 -5.794 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.027 -7.641 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.639 -8.002 -5.633 1.00 0.00 H new ATOM 652 N GLU A 41 8.241 -4.544 -3.411 1.00 0.00 N ATOM 653 CA GLU A 41 9.517 -4.550 -2.720 1.00 0.00 C ATOM 654 C GLU A 41 9.424 -3.790 -1.391 1.00 0.00 C ATOM 655 O GLU A 41 9.924 -4.251 -0.360 1.00 0.00 O ATOM 656 CB GLU A 41 10.593 -3.935 -3.619 1.00 0.00 C ATOM 657 CG GLU A 41 11.985 -3.939 -3.017 1.00 0.00 C ATOM 658 CD GLU A 41 12.422 -5.317 -2.578 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.508 -6.221 -3.434 1.00 0.00 O ATOM 660 OE2 GLU A 41 12.696 -5.499 -1.383 1.00 0.00 O1- ATOM 0 H GLU A 41 8.246 -4.030 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 41 9.788 -5.581 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.616 -4.480 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.313 -2.907 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.695 -3.552 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.009 -3.264 -2.161 1.00 0.00 H new ATOM 667 N LEU A 42 8.767 -2.634 -1.418 1.00 0.00 N ATOM 668 CA LEU A 42 8.601 -1.818 -0.218 1.00 0.00 C ATOM 669 C LEU A 42 7.815 -2.571 0.842 1.00 0.00 C ATOM 670 O LEU A 42 8.143 -2.510 2.026 1.00 0.00 O ATOM 671 CB LEU A 42 7.905 -0.496 -0.548 1.00 0.00 C ATOM 672 CG LEU A 42 8.628 0.408 -1.546 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.815 1.660 -1.821 1.00 0.00 C ATOM 674 CD2 LEU A 42 10.016 0.773 -1.036 1.00 0.00 C ATOM 0 H LEU A 42 8.341 -2.241 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 42 9.594 -1.598 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.913 -0.718 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.763 0.059 0.379 1.00 0.00 H new ATOM 0 HG LEU A 42 8.741 -0.140 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.347 2.290 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.846 1.381 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.667 2.209 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.513 1.417 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.928 1.299 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.602 -0.135 -0.895 1.00 0.00 H new ATOM 686 N ILE A 43 6.785 -3.291 0.409 1.00 0.00 N ATOM 687 CA ILE A 43 5.958 -4.075 1.320 1.00 0.00 C ATOM 688 C ILE A 43 6.793 -5.129 2.040 1.00 0.00 C ATOM 689 O ILE A 43 6.625 -5.342 3.244 1.00 0.00 O ATOM 690 CB ILE A 43 4.777 -4.764 0.582 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.797 -3.716 0.053 1.00 0.00 C ATOM 692 CG2 ILE A 43 4.057 -5.751 1.501 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.688 -4.296 -0.800 1.00 0.00 C ATOM 0 H ILE A 43 6.503 -3.348 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 43 5.545 -3.379 2.051 1.00 0.00 H new ATOM 0 HB ILE A 43 5.183 -5.322 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.355 -3.186 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.347 -2.980 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.235 -6.219 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.757 -6.518 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.665 -5.220 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.033 -3.494 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.120 -4.802 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.112 -5.011 -0.212 1.00 0.00 H new ATOM 705 N GLN A 44 7.703 -5.768 1.309 1.00 0.00 N ATOM 706 CA GLN A 44 8.557 -6.797 1.890 1.00 0.00 C ATOM 707 C GLN A 44 9.481 -6.205 2.943 1.00 0.00 C ATOM 708 O GLN A 44 9.582 -6.726 4.056 1.00 0.00 O ATOM 709 CB GLN A 44 9.395 -7.484 0.812 1.00 0.00 C ATOM 710 CG GLN A 44 8.589 -8.201 -0.255 1.00 0.00 C ATOM 711 CD GLN A 44 7.642 -9.243 0.313 1.00 0.00 C ATOM 712 OE1 GLN A 44 7.884 -9.812 1.379 1.00 0.00 O ATOM 713 NE2 GLN A 44 6.576 -9.517 -0.409 1.00 0.00 N ATOM 0 H GLN A 44 7.867 -5.592 0.318 1.00 0.00 H new ATOM 0 HA GLN A 44 7.906 -7.534 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.027 -6.737 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.060 -8.203 1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.015 -7.468 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.272 -8.682 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.413 -9.022 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.913 -10.224 -0.091 1.00 0.00 H new ATOM 722 N LYS A 45 10.129 -5.094 2.601 1.00 0.00 N ATOM 723 CA LYS A 45 11.051 -4.440 3.521 1.00 0.00 C ATOM 724 C LYS A 45 10.307 -3.920 4.742 1.00 0.00 C ATOM 725 O LYS A 45 10.753 -4.096 5.878 1.00 0.00 O ATOM 726 CB LYS A 45 11.798 -3.293 2.832 1.00 0.00 C ATOM 727 CG LYS A 45 12.563 -3.707 1.582 1.00 0.00 C ATOM 728 CD LYS A 45 13.556 -2.633 1.163 1.00 0.00 C ATOM 729 CE LYS A 45 14.255 -2.984 -0.145 1.00 0.00 C ATOM 730 NZ LYS A 45 14.752 -4.387 -0.160 1.00 0.00 N ATOM 0 H LYS A 45 10.032 -4.631 1.697 1.00 0.00 H new ATOM 0 HA LYS A 45 11.783 -5.181 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.081 -2.516 2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.497 -2.851 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.092 -4.642 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.862 -3.895 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.036 -1.681 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.300 -2.501 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.564 -2.837 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.091 -2.303 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.503 -4.482 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.132 -4.631 0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.969 -5.030 -0.394 1.00 0.00 H new ATOM 744 N HIS A 46 9.163 -3.294 4.501 1.00 0.00 N ATOM 745 CA HIS A 46 8.341 -2.761 5.573 1.00 0.00 C ATOM 746 C HIS A 46 7.860 -3.889 6.485 1.00 0.00 C ATOM 747 O HIS A 46 7.772 -3.720 7.703 1.00 0.00 O ATOM 748 CB HIS A 46 7.144 -1.984 5.004 1.00 0.00 C ATOM 749 CG HIS A 46 6.303 -1.321 6.053 1.00 0.00 C ATOM 750 ND1 HIS A 46 5.076 -1.792 6.465 1.00 0.00 N ATOM 751 CD2 HIS A 46 6.543 -0.209 6.788 1.00 0.00 C ATOM 752 CE1 HIS A 46 4.618 -0.972 7.415 1.00 0.00 C ATOM 753 NE2 HIS A 46 5.475 0.008 7.652 1.00 0.00 N ATOM 0 H HIS A 46 8.784 -3.144 3.566 1.00 0.00 H new ATOM 0 HA HIS A 46 8.948 -2.072 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.510 -1.226 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.519 -2.667 4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.424 0.411 6.715 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.673 -1.093 7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.373 0.765 8.328 1.00 0.00 H new ATOM 761 N ARG A 47 7.555 -5.036 5.885 1.00 0.00 N ATOM 762 CA ARG A 47 7.085 -6.204 6.627 1.00 0.00 C ATOM 763 C ARG A 47 8.151 -6.688 7.601 1.00 0.00 C ATOM 764 O ARG A 47 7.856 -6.995 8.759 1.00 0.00 O ATOM 765 CB ARG A 47 6.725 -7.332 5.657 1.00 0.00 C ATOM 766 CG ARG A 47 6.233 -8.598 6.333 1.00 0.00 C ATOM 767 CD ARG A 47 6.028 -9.720 5.328 1.00 0.00 C ATOM 768 NE ARG A 47 7.283 -10.115 4.674 1.00 0.00 N ATOM 769 CZ ARG A 47 7.710 -11.379 4.563 1.00 0.00 C ATOM 770 NH1 ARG A 47 7.002 -12.367 5.096 1.00 0.00 N ATOM 771 NH2 ARG A 47 8.846 -11.646 3.929 1.00 0.00 N ATOM 0 H ARG A 47 7.626 -5.183 4.878 1.00 0.00 H new ATOM 0 HA ARG A 47 6.199 -5.916 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.955 -6.976 4.972 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.601 -7.572 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.953 -8.912 7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.295 -8.395 6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.596 -10.584 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.311 -9.402 4.572 1.00 0.00 H new ATOM 0 HE ARG A 47 7.867 -9.378 4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.133 -12.163 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.327 -13.330 5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.395 -10.887 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.169 -12.610 3.846 1.00 0.00 H new ATOM 785 N GLN A 48 9.390 -6.731 7.139 1.00 0.00 N ATOM 786 CA GLN A 48 10.496 -7.172 7.974 1.00 0.00 C ATOM 787 C GLN A 48 10.726 -6.191 9.103 1.00 0.00 C ATOM 788 O GLN A 48 10.998 -6.580 10.243 1.00 0.00 O ATOM 789 CB GLN A 48 11.764 -7.345 7.144 1.00 0.00 C ATOM 790 CG GLN A 48 11.615 -8.361 6.027 1.00 0.00 C ATOM 791 CD GLN A 48 11.077 -9.687 6.521 1.00 0.00 C ATOM 792 OE1 GLN A 48 9.868 -9.914 6.544 1.00 0.00 O ATOM 793 NE2 GLN A 48 11.961 -10.557 6.938 1.00 0.00 N ATOM 0 H GLN A 48 9.655 -6.466 6.190 1.00 0.00 H new ATOM 0 HA GLN A 48 10.239 -8.140 8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.044 -6.383 6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.580 -7.652 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.947 -7.962 5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.583 -8.519 5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.955 -10.331 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.656 -11.461 7.298 1.00 0.00 H new ATOM 802 N LEU A 49 10.601 -4.914 8.784 1.00 0.00 N ATOM 803 CA LEU A 49 10.735 -3.872 9.776 1.00 0.00 C ATOM 804 C LEU A 49 9.580 -3.943 10.768 1.00 0.00 C ATOM 805 O LEU A 49 9.744 -3.648 11.943 1.00 0.00 O ATOM 806 CB LEU A 49 10.771 -2.495 9.108 1.00 0.00 C ATOM 807 CG LEU A 49 11.946 -2.245 8.159 1.00 0.00 C ATOM 808 CD1 LEU A 49 11.841 -0.865 7.534 1.00 0.00 C ATOM 809 CD2 LEU A 49 13.272 -2.403 8.890 1.00 0.00 C ATOM 0 H LEU A 49 10.406 -4.578 7.841 1.00 0.00 H new ATOM 0 HA LEU A 49 11.673 -4.021 10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.844 -2.358 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.790 -1.734 9.888 1.00 0.00 H new ATOM 0 HG LEU A 49 11.906 -2.988 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.684 -0.705 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.910 -0.790 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.853 -0.108 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.093 -2.221 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.323 -1.686 9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.350 -3.415 9.287 1.00 0.00 H new ATOM 821 N PHE A 50 8.409 -4.337 10.283 1.00 0.00 N ATOM 822 CA PHE A 50 7.226 -4.453 11.129 1.00 0.00 C ATOM 823 C PHE A 50 7.377 -5.614 12.104 1.00 0.00 C ATOM 824 O PHE A 50 6.949 -5.529 13.251 1.00 0.00 O ATOM 825 CB PHE A 50 5.962 -4.621 10.276 1.00 0.00 C ATOM 826 CG PHE A 50 4.686 -4.618 11.071 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.326 -3.510 11.823 1.00 0.00 C ATOM 828 CD2 PHE A 50 3.844 -5.717 11.066 1.00 0.00 C ATOM 829 CE1 PHE A 50 3.156 -3.501 12.555 1.00 0.00 C ATOM 830 CE2 PHE A 50 2.671 -5.715 11.794 1.00 0.00 C ATOM 831 CZ PHE A 50 2.327 -4.605 12.541 1.00 0.00 C ATOM 0 H PHE A 50 8.252 -4.582 9.305 1.00 0.00 H new ATOM 0 HA PHE A 50 7.126 -3.533 11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.922 -3.817 9.541 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.031 -5.557 9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.970 -2.643 11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.108 -6.588 10.485 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.889 -2.632 13.138 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.024 -6.579 11.780 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.411 -4.601 13.113 1.00 0.00 H new ATOM 841 N ASP A 51 8.004 -6.689 11.643 1.00 0.00 N ATOM 842 CA ASP A 51 8.255 -7.856 12.490 1.00 0.00 C ATOM 843 C ASP A 51 9.200 -7.484 13.627 1.00 0.00 C ATOM 844 O ASP A 51 9.022 -7.908 14.764 1.00 0.00 O ATOM 845 CB ASP A 51 8.850 -9.005 11.662 1.00 0.00 C ATOM 846 CG ASP A 51 9.061 -10.281 12.468 1.00 0.00 C ATOM 847 OD1 ASP A 51 8.246 -10.568 13.379 1.00 0.00 O ATOM 848 OD2 ASP A 51 10.033 -11.017 12.175 1.00 0.00 O1- ATOM 0 H ASP A 51 8.349 -6.780 10.688 1.00 0.00 H new ATOM 0 HA ASP A 51 7.307 -8.189 12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.189 -9.219 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.804 -8.686 11.243 1.00 0.00 H new ATOM 853 N ASN A 52 10.188 -6.664 13.310 1.00 0.00 N ATOM 854 CA ASN A 52 11.158 -6.210 14.302 1.00 0.00 C ATOM 855 C ASN A 52 10.534 -5.157 15.232 1.00 0.00 C ATOM 856 O ASN A 52 10.861 -5.084 16.415 1.00 0.00 O ATOM 857 CB ASN A 52 12.407 -5.645 13.602 1.00 0.00 C ATOM 858 CG ASN A 52 13.515 -5.255 14.572 1.00 0.00 C ATOM 859 OD1 ASN A 52 13.633 -5.813 15.663 1.00 0.00 O ATOM 860 ND2 ASN A 52 14.345 -4.307 14.171 1.00 0.00 N ATOM 0 H ASN A 52 10.343 -6.296 12.371 1.00 0.00 H new ATOM 0 HA ASN A 52 11.456 -7.063 14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.790 -6.388 12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.123 -4.771 13.015 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.115 -4.015 14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.215 -3.868 13.260 1.00 0.00 H new ATOM 867 N ARG A 53 9.626 -4.354 14.688 1.00 0.00 N ATOM 868 CA ARG A 53 8.952 -3.314 15.467 1.00 0.00 C ATOM 869 C ARG A 53 7.893 -3.899 16.388 1.00 0.00 C ATOM 870 O ARG A 53 7.713 -3.430 17.509 1.00 0.00 O ATOM 871 CB ARG A 53 8.327 -2.260 14.552 1.00 0.00 C ATOM 872 CG ARG A 53 9.330 -1.294 13.946 1.00 0.00 C ATOM 873 CD ARG A 53 8.671 -0.381 12.925 1.00 0.00 C ATOM 874 NE ARG A 53 8.206 -1.120 11.750 1.00 0.00 N ATOM 875 CZ ARG A 53 7.523 -0.580 10.736 1.00 0.00 C ATOM 876 NH1 ARG A 53 7.181 0.705 10.770 1.00 0.00 N ATOM 877 NH2 ARG A 53 7.169 -1.328 9.695 1.00 0.00 N ATOM 0 H ARG A 53 9.338 -4.401 13.711 1.00 0.00 H new ATOM 0 HA ARG A 53 9.712 -2.836 16.085 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.792 -2.764 13.747 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.589 -1.693 15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.782 -0.694 14.735 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.135 -1.854 13.470 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.828 0.132 13.388 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.380 0.387 12.614 1.00 0.00 H new ATOM 0 HE ARG A 53 8.418 -2.117 11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.440 1.281 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.660 1.115 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.419 -2.317 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.648 -0.913 8.923 1.00 0.00 H new ATOM 891 N GLN A 54 7.189 -4.911 15.915 1.00 0.00 N ATOM 892 CA GLN A 54 6.162 -5.556 16.710 1.00 0.00 C ATOM 893 C GLN A 54 6.188 -7.068 16.486 1.00 0.00 C ATOM 894 O GLN A 54 6.728 -7.812 17.307 1.00 0.00 O ATOM 895 CB GLN A 54 4.778 -4.981 16.376 1.00 0.00 C ATOM 896 CG GLN A 54 3.683 -5.424 17.335 1.00 0.00 C ATOM 897 CD GLN A 54 2.313 -4.887 16.964 1.00 0.00 C ATOM 898 OE1 GLN A 54 2.187 -3.814 16.376 1.00 0.00 O ATOM 899 NE2 GLN A 54 1.278 -5.623 17.319 1.00 0.00 N ATOM 0 H GLN A 54 7.311 -5.304 14.982 1.00 0.00 H new ATOM 0 HA GLN A 54 6.365 -5.360 17.763 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.836 -3.893 16.382 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.505 -5.280 15.364 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.646 -6.513 17.356 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.935 -5.094 18.343 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.424 -6.508 17.806 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.331 -5.308 17.107 1.00 0.00 H new ATOM 908 N GLU A 55 5.622 -7.510 15.364 1.00 0.00 N ATOM 909 CA GLU A 55 5.585 -8.929 15.008 1.00 0.00 C ATOM 910 C GLU A 55 4.949 -9.108 13.638 1.00 0.00 C ATOM 911 O GLU A 55 3.992 -8.408 13.296 1.00 0.00 O ATOM 912 CB GLU A 55 4.802 -9.749 16.053 1.00 0.00 C ATOM 913 CG GLU A 55 3.333 -9.361 16.184 1.00 0.00 C ATOM 914 CD GLU A 55 2.585 -10.236 17.160 1.00 0.00 C ATOM 915 OE1 GLU A 55 2.438 -9.835 18.338 1.00 0.00 O ATOM 916 OE2 GLU A 55 2.138 -11.328 16.762 1.00 0.00 O1- ATOM 0 H GLU A 55 5.178 -6.899 14.679 1.00 0.00 H new ATOM 0 HA GLU A 55 6.612 -9.294 14.985 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.865 -10.805 15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.284 -9.633 17.024 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.263 -8.322 16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.856 -9.424 15.206 1.00 0.00 H new ATOM 923 N ALA A 56 5.492 -10.016 12.849 1.00 0.00 N ATOM 924 CA ALA A 56 4.944 -10.308 11.537 1.00 0.00 C ATOM 925 C ALA A 56 5.411 -11.662 11.031 1.00 0.00 C ATOM 926 O ALA A 56 6.469 -11.776 10.398 1.00 0.00 O ATOM 927 CB ALA A 56 5.297 -9.215 10.536 1.00 0.00 C ATOM 0 H ALA A 56 6.315 -10.566 13.095 1.00 0.00 H new ATOM 0 HA ALA A 56 3.859 -10.340 11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.873 -9.462 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.890 -8.263 10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.381 -9.137 10.450 1.00 0.00 H new ATOM 933 N ALA A 57 4.642 -12.692 11.329 1.00 0.00 N ATOM 934 CA ALA A 57 4.960 -14.020 10.860 1.00 0.00 C ATOM 935 C ALA A 57 4.472 -14.183 9.433 1.00 0.00 C ATOM 936 O ALA A 57 3.472 -13.572 9.040 1.00 0.00 O ATOM 937 CB ALA A 57 4.339 -15.074 11.766 1.00 0.00 C ATOM 0 H ALA A 57 3.794 -12.631 11.893 1.00 0.00 H new ATOM 0 HA ALA A 57 6.041 -14.157 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.591 -16.067 11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.725 -14.957 12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.256 -14.954 11.775 1.00 0.00 H new ATOM 943 N ASP A 58 5.163 -15.002 8.658 1.00 0.00 N ATOM 944 CA ASP A 58 4.802 -15.214 7.257 1.00 0.00 C ATOM 945 C ASP A 58 3.413 -15.808 7.138 1.00 0.00 C ATOM 946 O ASP A 58 2.704 -15.546 6.179 1.00 0.00 O ATOM 947 CB ASP A 58 5.829 -16.101 6.550 1.00 0.00 C ATOM 948 CG ASP A 58 7.170 -15.413 6.380 1.00 0.00 C ATOM 949 OD1 ASP A 58 7.915 -15.296 7.380 1.00 0.00 O ATOM 950 OD2 ASP A 58 7.480 -14.980 5.247 1.00 0.00 O1- ATOM 0 H ASP A 58 5.977 -15.532 8.970 1.00 0.00 H new ATOM 0 HA ASP A 58 4.800 -14.241 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.965 -17.020 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.444 -16.388 5.571 1.00 0.00 H new ATOM 955 N THR A 59 3.023 -16.592 8.130 1.00 0.00 N ATOM 956 CA THR A 59 1.697 -17.187 8.169 1.00 0.00 C ATOM 957 C THR A 59 0.617 -16.092 8.189 1.00 0.00 C ATOM 958 O THR A 59 -0.395 -16.180 7.485 1.00 0.00 O ATOM 959 CB THR A 59 1.554 -18.070 9.422 1.00 0.00 C ATOM 960 OG1 THR A 59 2.689 -18.942 9.518 1.00 0.00 O ATOM 961 CG2 THR A 59 0.281 -18.899 9.365 1.00 0.00 C ATOM 0 H THR A 59 3.613 -16.833 8.927 1.00 0.00 H new ATOM 0 HA THR A 59 1.566 -17.798 7.276 1.00 0.00 H new ATOM 0 HB THR A 59 1.502 -17.423 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.603 -19.505 10.316 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.206 -19.513 10.263 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.582 -18.236 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.305 -19.543 8.486 1.00 0.00 H new ATOM 969 N GLU A 60 0.862 -15.054 8.981 1.00 0.00 N ATOM 970 CA GLU A 60 -0.065 -13.940 9.106 1.00 0.00 C ATOM 971 C GLU A 60 -0.026 -13.085 7.847 1.00 0.00 C ATOM 972 O GLU A 60 -1.064 -12.705 7.298 1.00 0.00 O ATOM 973 CB GLU A 60 0.316 -13.080 10.314 1.00 0.00 C ATOM 974 CG GLU A 60 0.497 -13.865 11.603 1.00 0.00 C ATOM 975 CD GLU A 60 0.997 -13.001 12.741 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.208 -12.696 12.777 1.00 0.00 O ATOM 977 OE2 GLU A 60 0.181 -12.624 13.610 1.00 0.00 O1- ATOM 0 H GLU A 60 1.704 -14.963 9.550 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.072 -14.335 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.242 -12.550 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.455 -12.325 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.453 -14.318 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.201 -14.680 11.433 1.00 0.00 H new ATOM 984 N ALA A 61 1.188 -12.812 7.385 1.00 0.00 N ATOM 985 CA ALA A 61 1.410 -11.976 6.216 1.00 0.00 C ATOM 986 C ALA A 61 0.828 -12.597 4.954 1.00 0.00 C ATOM 987 O ALA A 61 0.248 -11.902 4.133 1.00 0.00 O ATOM 988 CB ALA A 61 2.896 -11.709 6.036 1.00 0.00 C ATOM 0 H ALA A 61 2.045 -13.165 7.811 1.00 0.00 H new ATOM 0 HA ALA A 61 0.892 -11.032 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.049 -11.082 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.283 -11.199 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.422 -12.654 5.903 1.00 0.00 H new ATOM 994 N ALA A 62 0.980 -13.902 4.810 1.00 0.00 N ATOM 995 CA ALA A 62 0.488 -14.603 3.632 1.00 0.00 C ATOM 996 C ALA A 62 -1.034 -14.584 3.560 1.00 0.00 C ATOM 997 O ALA A 62 -1.612 -14.452 2.476 1.00 0.00 O ATOM 998 CB ALA A 62 1.003 -16.035 3.612 1.00 0.00 C ATOM 0 H ALA A 62 1.441 -14.501 5.495 1.00 0.00 H new ATOM 0 HA ALA A 62 0.866 -14.079 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.626 -16.545 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.093 -16.029 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.659 -16.558 4.505 1.00 0.00 H new ATOM 1004 N LYS A 63 -1.684 -14.707 4.711 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.137 -14.733 4.754 1.00 0.00 C ATOM 1006 C LYS A 63 -3.723 -13.350 4.479 1.00 0.00 C ATOM 1007 O LYS A 63 -4.659 -13.213 3.700 1.00 0.00 O ATOM 1008 CB LYS A 63 -3.628 -15.253 6.109 1.00 0.00 C ATOM 1009 CG LYS A 63 -5.138 -15.458 6.176 1.00 0.00 C ATOM 1010 CD LYS A 63 -5.603 -15.962 7.546 1.00 0.00 C ATOM 1011 CE LYS A 63 -5.339 -17.459 7.752 1.00 0.00 C ATOM 1012 NZ LYS A 63 -3.891 -17.788 7.869 1.00 0.00 N ATOM 0 H LYS A 63 -1.230 -14.790 5.620 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.479 -15.410 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.132 -16.199 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.331 -14.550 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.639 -14.517 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.439 -16.172 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.094 -15.398 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.670 -15.768 7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.855 -17.792 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.765 -18.015 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.761 -18.535 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.535 -18.120 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.364 -16.939 8.158 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.155 -12.325 5.106 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.638 -10.955 4.916 1.00 0.00 C ATOM 1028 C GLN A 64 -3.205 -10.413 3.561 1.00 0.00 C ATOM 1029 O GLN A 64 -3.930 -9.647 2.919 1.00 0.00 O ATOM 1030 CB GLN A 64 -3.133 -10.040 6.038 1.00 0.00 C ATOM 1031 CG GLN A 64 -3.593 -10.457 7.429 1.00 0.00 C ATOM 1032 CD GLN A 64 -5.108 -10.509 7.564 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -5.804 -9.637 6.855 1.00 0.00 O flip ATOM 1034 NE2 GLN A 64 -5.646 -11.319 8.321 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.366 -12.412 5.746 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.727 -10.975 4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.043 -10.023 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.472 -9.022 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.179 -11.438 7.664 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.192 -9.758 8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.076 -11.977 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.661 -11.331 8.416 1.00 0.00 H new ATOM 1043 N GLY A 65 -2.029 -10.832 3.131 1.00 0.00 N ATOM 1044 CA GLY A 65 -1.477 -10.397 1.869 1.00 0.00 C ATOM 1045 C GLY A 65 -2.335 -10.785 0.690 1.00 0.00 C ATOM 1046 O GLY A 65 -2.431 -10.040 -0.276 1.00 0.00 O ATOM 0 H GLY A 65 -1.435 -11.481 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.357 -9.314 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.483 -10.826 1.746 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.980 -11.942 0.780 1.00 0.00 N ATOM 1051 CA ASP A 66 -3.801 -12.452 -0.321 1.00 0.00 C ATOM 1052 C ASP A 66 -4.930 -11.476 -0.654 1.00 0.00 C ATOM 1053 O ASP A 66 -5.224 -11.230 -1.828 1.00 0.00 O ATOM 1054 CB ASP A 66 -4.377 -13.825 0.036 1.00 0.00 C ATOM 1055 CG ASP A 66 -5.032 -14.514 -1.147 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.354 -15.303 -1.827 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -6.231 -14.281 -1.397 1.00 0.00 O1- ATOM 0 H ASP A 66 -2.953 -12.547 1.601 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.165 -12.555 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.579 -14.459 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.110 -13.710 0.835 1.00 0.00 H new ATOM 1062 N GLN A 67 -5.542 -10.903 0.379 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.611 -9.922 0.187 1.00 0.00 C ATOM 1064 C GLN A 67 -6.040 -8.612 -0.344 1.00 0.00 C ATOM 1065 O GLN A 67 -6.643 -7.958 -1.196 1.00 0.00 O ATOM 1066 CB GLN A 67 -7.379 -9.651 1.494 1.00 0.00 C ATOM 1067 CG GLN A 67 -8.252 -10.804 1.985 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.451 -11.954 2.553 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -7.081 -12.884 1.838 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -7.178 -11.901 3.840 1.00 0.00 N ATOM 0 H GLN A 67 -5.319 -11.099 1.355 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.308 -10.341 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.660 -9.403 2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.010 -8.774 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.937 -10.434 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.862 -11.167 1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.503 -11.112 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.641 -12.649 4.279 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.867 -8.247 0.154 1.00 0.00 N ATOM 1080 CA TRP A 68 -4.211 -7.019 -0.238 1.00 0.00 C ATOM 1081 C TRP A 68 -3.801 -7.074 -1.712 1.00 0.00 C ATOM 1082 O TRP A 68 -4.030 -6.131 -2.466 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.003 -6.779 0.666 1.00 0.00 C ATOM 1084 CG TRP A 68 -2.206 -5.575 0.310 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -1.033 -5.560 -0.363 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.522 -4.209 0.609 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.588 -4.269 -0.506 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.486 -3.422 0.083 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.580 -3.578 1.269 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.474 -2.037 0.194 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.564 -2.201 1.377 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.518 -1.446 0.843 1.00 0.00 C ATOM 0 H TRP A 68 -4.349 -8.796 0.839 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.904 -6.185 -0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.347 -6.682 1.696 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.355 -7.655 0.628 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.521 -6.436 -0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.273 -3.987 -0.975 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.393 -4.155 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.667 -1.450 -0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.375 -1.699 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.536 -0.371 0.946 1.00 0.00 H new ATOM 1103 N VAL A 69 -3.206 -8.189 -2.114 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.811 -8.398 -3.501 1.00 0.00 C ATOM 1105 C VAL A 69 -4.044 -8.413 -4.402 1.00 0.00 C ATOM 1106 O VAL A 69 -4.029 -7.875 -5.515 1.00 0.00 O ATOM 1107 CB VAL A 69 -2.017 -9.720 -3.677 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.701 -9.976 -5.145 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.733 -9.681 -2.863 1.00 0.00 C ATOM 0 H VAL A 69 -2.985 -8.968 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.159 -7.572 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.640 -10.538 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.144 -10.908 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.630 -10.049 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.102 -9.154 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.188 -10.616 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.114 -8.849 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.975 -9.551 -1.808 1.00 0.00 H new ATOM 1119 N GLN A 70 -5.119 -9.008 -3.897 1.00 0.00 N ATOM 1120 CA GLN A 70 -6.364 -9.116 -4.637 1.00 0.00 C ATOM 1121 C GLN A 70 -6.934 -7.732 -4.941 1.00 0.00 C ATOM 1122 O GLN A 70 -7.606 -7.537 -5.953 1.00 0.00 O ATOM 1123 CB GLN A 70 -7.376 -9.933 -3.845 1.00 0.00 C ATOM 1124 CG GLN A 70 -8.531 -10.444 -4.676 1.00 0.00 C ATOM 1125 CD GLN A 70 -9.542 -11.210 -3.855 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -10.509 -10.642 -3.354 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -9.321 -12.502 -3.701 1.00 0.00 N ATOM 0 H GLN A 70 -5.149 -9.426 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.159 -9.621 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.866 -10.781 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.768 -9.321 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.025 -9.602 -5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.148 -11.088 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.505 -12.935 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.966 -13.067 -3.149 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.650 -6.773 -4.065 1.00 0.00 N ATOM 1137 CA LEU A 71 -7.104 -5.417 -4.237 1.00 0.00 C ATOM 1138 C LEU A 71 -6.518 -4.820 -5.518 1.00 0.00 C ATOM 1139 O LEU A 71 -7.212 -4.129 -6.264 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.709 -4.583 -3.018 1.00 0.00 C ATOM 1141 CG LEU A 71 -6.960 -3.092 -3.133 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -8.452 -2.793 -3.223 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -6.324 -2.347 -1.970 1.00 0.00 C ATOM 0 H LEU A 71 -6.099 -6.924 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.190 -5.410 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.253 -4.959 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.649 -4.740 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.494 -2.742 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.603 -1.717 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.869 -3.286 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.952 -3.163 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.517 -1.279 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.750 -2.704 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.248 -2.523 -1.970 1.00 0.00 H new ATOM 1155 N PHE A 72 -5.245 -5.113 -5.781 1.00 0.00 N ATOM 1156 CA PHE A 72 -4.588 -4.635 -6.995 1.00 0.00 C ATOM 1157 C PHE A 72 -5.199 -5.307 -8.216 1.00 0.00 C ATOM 1158 O PHE A 72 -5.382 -4.682 -9.262 1.00 0.00 O ATOM 1159 CB PHE A 72 -3.083 -4.915 -6.955 1.00 0.00 C ATOM 1160 CG PHE A 72 -2.343 -4.171 -5.882 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -2.097 -4.763 -4.659 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -1.883 -2.884 -6.105 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -1.408 -4.089 -3.674 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -1.193 -2.201 -5.121 1.00 0.00 C ATOM 1165 CZ PHE A 72 -0.955 -2.807 -3.903 1.00 0.00 C ATOM 0 H PHE A 72 -4.651 -5.676 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.737 -3.557 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.928 -5.984 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.652 -4.657 -7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.449 -5.767 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.065 -2.409 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.223 -4.565 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.841 -1.197 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.415 -2.278 -3.132 1.00 0.00 H new ATOM 1175 N GLN A 73 -5.526 -6.583 -8.069 1.00 0.00 N ATOM 1176 CA GLN A 73 -6.140 -7.346 -9.142 1.00 0.00 C ATOM 1177 C GLN A 73 -7.525 -6.793 -9.452 1.00 0.00 C ATOM 1178 O GLN A 73 -7.908 -6.659 -10.618 1.00 0.00 O ATOM 1179 CB GLN A 73 -6.222 -8.822 -8.763 1.00 0.00 C ATOM 1180 CG GLN A 73 -4.867 -9.443 -8.463 1.00 0.00 C ATOM 1181 CD GLN A 73 -4.961 -10.895 -8.050 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -5.951 -11.324 -7.456 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -3.934 -11.658 -8.359 1.00 0.00 N ATOM 0 H GLN A 73 -5.374 -7.113 -7.211 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.523 -7.256 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.865 -8.930 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.694 -9.373 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.233 -9.362 -9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.381 -8.876 -7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.134 -11.261 -8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.938 -12.646 -8.106 1.00 0.00 H new ATOM 1192 N ARG A 74 -8.266 -6.462 -8.398 1.00 0.00 N ATOM 1193 CA ARG A 74 -9.588 -5.863 -8.532 1.00 0.00 C ATOM 1194 C ARG A 74 -9.463 -4.480 -9.157 1.00 0.00 C ATOM 1195 O ARG A 74 -10.303 -4.067 -9.953 1.00 0.00 O ATOM 1196 CB ARG A 74 -10.271 -5.769 -7.164 1.00 0.00 C ATOM 1197 CG ARG A 74 -11.701 -5.250 -7.213 1.00 0.00 C ATOM 1198 CD ARG A 74 -12.335 -5.248 -5.829 1.00 0.00 C ATOM 1199 NE ARG A 74 -12.276 -6.571 -5.206 1.00 0.00 N ATOM 1200 CZ ARG A 74 -12.349 -6.799 -3.893 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -12.545 -5.793 -3.047 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -12.239 -8.039 -3.433 1.00 0.00 N ATOM 0 H ARG A 74 -7.968 -6.601 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.200 -6.492 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.271 -6.756 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.682 -5.116 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.710 -4.239 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.293 -5.871 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.823 -4.524 -5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.374 -4.927 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.171 -7.378 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.640 -4.841 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.600 -5.973 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.099 -8.813 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.294 -8.218 -2.430 1.00 0.00 H new ATOM 1216 N PHE A 75 -8.399 -3.776 -8.789 1.00 0.00 N ATOM 1217 CA PHE A 75 -8.116 -2.459 -9.333 1.00 0.00 C ATOM 1218 C PHE A 75 -7.941 -2.559 -10.846 1.00 0.00 C ATOM 1219 O PHE A 75 -8.519 -1.778 -11.599 1.00 0.00 O ATOM 1220 CB PHE A 75 -6.856 -1.880 -8.667 1.00 0.00 C ATOM 1221 CG PHE A 75 -6.536 -0.463 -9.052 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -7.263 0.592 -8.522 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -5.501 -0.184 -9.929 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.964 1.897 -8.862 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -5.199 1.119 -10.273 1.00 0.00 C ATOM 1226 CZ PHE A 75 -5.931 2.161 -9.738 1.00 0.00 C ATOM 0 H PHE A 75 -7.713 -4.102 -8.108 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.949 -1.787 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.978 -1.929 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.005 -2.512 -8.920 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.072 0.391 -7.836 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.924 -0.995 -10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.538 2.710 -8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.391 1.323 -10.960 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.695 3.181 -10.005 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.161 -3.551 -11.283 1.00 0.00 N ATOM 1237 CA ARG A 76 -6.960 -3.800 -12.710 1.00 0.00 C ATOM 1238 C ARG A 76 -8.287 -4.147 -13.381 1.00 0.00 C ATOM 1239 O ARG A 76 -8.590 -3.664 -14.471 1.00 0.00 O ATOM 1240 CB ARG A 76 -5.978 -4.952 -12.936 1.00 0.00 C ATOM 1241 CG ARG A 76 -4.549 -4.683 -12.498 1.00 0.00 C ATOM 1242 CD ARG A 76 -3.643 -5.833 -12.917 1.00 0.00 C ATOM 1243 NE ARG A 76 -2.248 -5.633 -12.530 1.00 0.00 N ATOM 1244 CZ ARG A 76 -1.308 -5.122 -13.332 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -1.635 -4.639 -14.524 1.00 0.00 N ATOM 1246 NH2 ARG A 76 -0.041 -5.084 -12.936 1.00 0.00 N ATOM 0 H ARG A 76 -6.660 -4.193 -10.669 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.550 -2.890 -13.147 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.345 -5.830 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.974 -5.201 -13.997 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.195 -3.752 -12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.511 -4.556 -11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.009 -6.757 -12.470 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.700 -5.957 -13.998 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.973 -5.901 -11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.607 -4.656 -14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.914 -4.250 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.217 -5.445 -12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.674 -4.694 -13.550 1.00 0.00 H new ATOM 1260 N GLU A 77 -9.075 -4.981 -12.706 1.00 0.00 N ATOM 1261 CA GLU A 77 -10.363 -5.432 -13.222 1.00 0.00 C ATOM 1262 C GLU A 77 -11.298 -4.247 -13.451 1.00 0.00 C ATOM 1263 O GLU A 77 -11.958 -4.153 -14.492 1.00 0.00 O ATOM 1264 CB GLU A 77 -11.000 -6.424 -12.246 1.00 0.00 C ATOM 1265 CG GLU A 77 -12.292 -7.046 -12.745 1.00 0.00 C ATOM 1266 CD GLU A 77 -12.931 -7.954 -11.719 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -12.417 -9.074 -11.500 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -13.951 -7.561 -11.125 1.00 0.00 O1- ATOM 0 H GLU A 77 -8.839 -5.361 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.197 -5.929 -14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.285 -7.219 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.196 -5.914 -11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.993 -6.255 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.091 -7.614 -13.653 1.00 0.00 H new ATOM 1275 N ALA A 78 -11.342 -3.345 -12.480 1.00 0.00 N ATOM 1276 CA ALA A 78 -12.179 -2.158 -12.568 1.00 0.00 C ATOM 1277 C ALA A 78 -11.743 -1.271 -13.734 1.00 0.00 C ATOM 1278 O ALA A 78 -12.580 -0.702 -14.440 1.00 0.00 O ATOM 1279 CB ALA A 78 -12.142 -1.388 -11.259 1.00 0.00 C ATOM 0 H ALA A 78 -10.803 -3.415 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.206 -2.473 -12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.773 -0.503 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.509 -2.023 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.117 -1.085 -11.044 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.429 -1.162 -13.935 1.00 0.00 N ATOM 1286 CA ILE A 79 -9.886 -0.384 -15.047 1.00 0.00 C ATOM 1287 C ILE A 79 -10.277 -1.024 -16.372 1.00 0.00 C ATOM 1288 O ILE A 79 -10.729 -0.345 -17.291 1.00 0.00 O ATOM 1289 CB ILE A 79 -8.338 -0.271 -14.978 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -7.907 0.470 -13.710 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -7.791 0.433 -16.219 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -6.406 0.584 -13.551 1.00 0.00 C ATOM 0 H ILE A 79 -9.724 -1.602 -13.344 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.306 0.619 -14.973 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.925 -1.279 -14.945 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.339 1.471 -13.720 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.317 -0.046 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.705 0.501 -16.150 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.063 -0.135 -17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.214 1.435 -16.285 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.177 1.121 -12.630 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.968 -0.413 -13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.990 1.127 -14.400 1.00 0.00 H new ATOM 1304 N ASP A 80 -10.129 -2.339 -16.446 1.00 0.00 N ATOM 1305 CA ASP A 80 -10.447 -3.094 -17.657 1.00 0.00 C ATOM 1306 C ASP A 80 -11.924 -2.969 -18.009 1.00 0.00 C ATOM 1307 O ASP A 80 -12.293 -2.889 -19.185 1.00 0.00 O ATOM 1308 CB ASP A 80 -10.071 -4.566 -17.476 1.00 0.00 C ATOM 1309 CG ASP A 80 -10.439 -5.419 -18.673 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -9.726 -5.358 -19.697 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -11.435 -6.167 -18.587 1.00 0.00 O1- ATOM 0 H ASP A 80 -9.787 -2.913 -15.675 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.866 -2.676 -18.479 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.998 -4.643 -17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.571 -4.957 -16.590 1.00 0.00 H new ATOM 1316 N LYS A 81 -12.764 -2.940 -16.987 1.00 0.00 N ATOM 1317 CA LYS A 81 -14.193 -2.801 -17.174 1.00 0.00 C ATOM 1318 C LYS A 81 -14.558 -1.341 -17.476 1.00 0.00 C ATOM 1319 O LYS A 81 -15.648 -1.046 -17.962 1.00 0.00 O ATOM 1320 CB LYS A 81 -14.906 -3.272 -15.904 1.00 0.00 C ATOM 1321 CG LYS A 81 -16.409 -3.107 -15.927 1.00 0.00 C ATOM 1322 CD LYS A 81 -17.016 -3.524 -14.609 1.00 0.00 C ATOM 1323 CE LYS A 81 -18.521 -3.303 -14.597 1.00 0.00 C ATOM 1324 NZ LYS A 81 -19.194 -4.018 -15.711 1.00 0.00 N ATOM 0 H LYS A 81 -12.474 -3.012 -16.012 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.508 -3.410 -18.021 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.672 -4.324 -15.741 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.506 -2.721 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.662 -2.067 -16.136 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.833 -3.706 -16.733 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.800 -4.576 -14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.557 -2.957 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.931 -3.644 -13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.732 -2.236 -14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.221 -4.028 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.992 -3.532 -16.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.841 -4.995 -15.760 1.00 0.00 H new ATOM 1338 N GLY A 82 -13.620 -0.442 -17.218 1.00 0.00 N ATOM 1339 CA GLY A 82 -13.864 0.968 -17.434 1.00 0.00 C ATOM 1340 C GLY A 82 -14.863 1.518 -16.440 1.00 0.00 C ATOM 1341 O GLY A 82 -15.619 2.438 -16.750 1.00 0.00 O ATOM 0 H GLY A 82 -12.691 -0.666 -16.862 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.926 1.517 -17.350 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.235 1.123 -18.447 1.00 0.00 H new ATOM 1345 N ASP A 83 -14.865 0.949 -15.245 1.00 0.00 N ATOM 1346 CA ASP A 83 -15.793 1.358 -14.206 1.00 0.00 C ATOM 1347 C ASP A 83 -15.148 2.396 -13.300 1.00 0.00 C ATOM 1348 O ASP A 83 -14.402 2.059 -12.378 1.00 0.00 O ATOM 1349 CB ASP A 83 -16.254 0.153 -13.389 1.00 0.00 C ATOM 1350 CG ASP A 83 -17.414 0.486 -12.478 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -17.188 1.081 -11.415 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -18.561 0.143 -12.825 1.00 0.00 O1- ATOM 0 H ASP A 83 -14.230 0.199 -14.971 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.666 1.804 -14.682 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.545 -0.651 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.421 -0.218 -12.792 1.00 0.00 H new ATOM 1357 N LYS A 84 -15.424 3.654 -13.584 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.844 4.768 -12.839 1.00 0.00 C ATOM 1359 C LYS A 84 -15.335 4.803 -11.393 1.00 0.00 C ATOM 1360 O LYS A 84 -14.621 5.273 -10.499 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.167 6.095 -13.530 1.00 0.00 C ATOM 1362 CG LYS A 84 -14.635 6.212 -14.954 1.00 0.00 C ATOM 1363 CD LYS A 84 -13.120 6.141 -14.988 1.00 0.00 C ATOM 1364 CE LYS A 84 -12.581 6.367 -16.389 1.00 0.00 C ATOM 1365 NZ LYS A 84 -11.098 6.320 -16.424 1.00 0.00 N ATOM 0 H LYS A 84 -16.054 3.938 -14.334 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.764 4.620 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.249 6.227 -13.548 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.756 6.910 -12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.052 5.412 -15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.966 7.154 -15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.705 6.889 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.793 5.167 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.984 5.609 -17.060 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.923 7.334 -16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.769 6.479 -17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.712 7.060 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.772 5.388 -16.096 1.00 0.00 H new ATOM 1379 N ASP A 85 -16.544 4.300 -11.165 1.00 0.00 N ATOM 1380 CA ASP A 85 -17.135 4.300 -9.826 1.00 0.00 C ATOM 1381 C ASP A 85 -16.310 3.443 -8.882 1.00 0.00 C ATOM 1382 O ASP A 85 -15.941 3.879 -7.792 1.00 0.00 O ATOM 1383 CB ASP A 85 -18.580 3.778 -9.862 1.00 0.00 C ATOM 1384 CG ASP A 85 -19.490 4.599 -10.751 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -20.020 5.629 -10.283 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -19.686 4.213 -11.923 1.00 0.00 O1- ATOM 0 H ASP A 85 -17.135 3.887 -11.887 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.143 5.329 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.578 2.745 -10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -18.982 3.771 -8.849 1.00 0.00 H new ATOM 1391 N SER A 86 -16.003 2.237 -9.319 1.00 0.00 N ATOM 1392 CA SER A 86 -15.226 1.309 -8.525 1.00 0.00 C ATOM 1393 C SER A 86 -13.804 1.816 -8.320 1.00 0.00 C ATOM 1394 O SER A 86 -13.224 1.617 -7.263 1.00 0.00 O ATOM 1395 CB SER A 86 -15.214 -0.066 -9.183 1.00 0.00 C ATOM 1396 OG SER A 86 -16.540 -0.515 -9.424 1.00 0.00 O ATOM 0 H SER A 86 -16.284 1.875 -10.230 1.00 0.00 H new ATOM 0 HA SER A 86 -15.695 1.226 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.663 -0.021 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.694 -0.778 -8.542 1.00 0.00 H new ATOM 0 HG SER A 86 -16.975 0.080 -10.070 1.00 0.00 H new ATOM 1402 N LEU A 87 -13.260 2.493 -9.329 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.898 3.024 -9.247 1.00 0.00 C ATOM 1404 C LEU A 87 -11.769 3.999 -8.084 1.00 0.00 C ATOM 1405 O LEU A 87 -10.844 3.899 -7.277 1.00 0.00 O ATOM 1406 CB LEU A 87 -11.514 3.722 -10.554 1.00 0.00 C ATOM 1407 CG LEU A 87 -11.504 2.839 -11.802 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -11.178 3.657 -13.038 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -10.507 1.711 -11.641 1.00 0.00 C ATOM 0 H LEU A 87 -13.737 2.687 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.220 2.187 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.207 4.546 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.523 4.159 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.499 2.412 -11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.176 3.008 -13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.928 4.437 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.195 4.114 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.511 1.091 -12.537 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.510 2.125 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.781 1.104 -10.778 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.711 4.924 -7.997 1.00 0.00 N ATOM 1422 CA GLU A 88 -12.731 5.906 -6.922 1.00 0.00 C ATOM 1423 C GLU A 88 -12.914 5.211 -5.567 1.00 0.00 C ATOM 1424 O GLU A 88 -12.212 5.511 -4.600 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.861 6.914 -7.158 1.00 0.00 C ATOM 1426 CG GLU A 88 -13.899 8.059 -6.159 1.00 0.00 C ATOM 1427 CD GLU A 88 -12.646 8.907 -6.195 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -11.796 8.759 -5.300 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -12.508 9.730 -7.119 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.478 5.016 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.779 6.437 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.760 7.327 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.815 6.387 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.765 8.688 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.031 7.656 -5.155 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.843 4.264 -5.522 1.00 0.00 N ATOM 1437 CA GLN A 89 -14.137 3.523 -4.298 1.00 0.00 C ATOM 1438 C GLN A 89 -12.929 2.711 -3.827 1.00 0.00 C ATOM 1439 O GLN A 89 -12.656 2.630 -2.628 1.00 0.00 O ATOM 1440 CB GLN A 89 -15.346 2.617 -4.507 1.00 0.00 C ATOM 1441 CG GLN A 89 -16.630 3.385 -4.774 1.00 0.00 C ATOM 1442 CD GLN A 89 -17.803 2.486 -5.098 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -17.642 1.406 -5.671 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -18.988 2.920 -4.731 1.00 0.00 N ATOM 0 H GLN A 89 -14.410 3.989 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.369 4.246 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -15.150 1.947 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.481 1.992 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.873 3.989 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.468 4.074 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -19.078 3.820 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -19.818 2.357 -4.918 1.00 0.00 H new ATOM 1453 N LEU A 90 -12.204 2.119 -4.770 1.00 0.00 N ATOM 1454 CA LEU A 90 -11.018 1.336 -4.440 1.00 0.00 C ATOM 1455 C LEU A 90 -9.937 2.222 -3.841 1.00 0.00 C ATOM 1456 O LEU A 90 -9.223 1.812 -2.925 1.00 0.00 O ATOM 1457 CB LEU A 90 -10.481 0.604 -5.673 1.00 0.00 C ATOM 1458 CG LEU A 90 -11.391 -0.486 -6.247 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -10.783 -1.079 -7.503 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -11.642 -1.573 -5.214 1.00 0.00 C ATOM 0 H LEU A 90 -12.416 2.166 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.307 0.591 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.289 1.339 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.522 0.153 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 90 -12.347 -0.032 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.443 -1.852 -7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.655 -0.296 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.813 -1.517 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -12.291 -2.338 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.693 -2.023 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.122 -1.138 -4.338 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.830 3.443 -4.352 1.00 0.00 N ATOM 1473 CA LEU A 91 -8.859 4.396 -3.842 1.00 0.00 C ATOM 1474 C LEU A 91 -9.179 4.760 -2.397 1.00 0.00 C ATOM 1475 O LEU A 91 -8.276 4.953 -1.584 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.811 5.652 -4.719 1.00 0.00 C ATOM 1477 CG LEU A 91 -8.294 5.446 -6.150 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.398 6.736 -6.947 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.853 4.943 -6.137 1.00 0.00 C ATOM 0 H LEU A 91 -10.404 3.794 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.875 3.928 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.815 6.074 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.180 6.392 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.917 4.691 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.027 6.570 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.440 7.054 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.802 7.511 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.507 4.804 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.217 5.673 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.804 3.993 -5.605 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.469 4.837 -2.081 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.907 5.130 -0.721 1.00 0.00 C ATOM 1493 C GLU A 92 -10.499 4.014 0.231 1.00 0.00 C ATOM 1494 O GLU A 92 -9.987 4.273 1.322 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.420 5.329 -0.670 1.00 0.00 C ATOM 1496 CG GLU A 92 -12.888 6.615 -1.314 1.00 0.00 C ATOM 1497 CD GLU A 92 -12.307 7.837 -0.641 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -12.678 8.118 0.522 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -11.487 8.536 -1.272 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.228 4.701 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.421 6.054 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.905 4.488 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.744 5.316 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.607 6.615 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.976 6.664 -1.274 1.00 0.00 H new ATOM 1506 N GLU A 93 -10.713 2.772 -0.196 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.333 1.611 0.605 1.00 0.00 C ATOM 1508 C GLU A 93 -8.826 1.585 0.800 1.00 0.00 C ATOM 1509 O GLU A 93 -8.333 1.336 1.901 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.789 0.314 -0.069 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.297 0.128 -0.115 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.919 0.039 1.264 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -12.417 -0.743 2.104 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.926 0.735 1.514 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.147 2.544 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.822 1.689 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.401 0.292 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.347 -0.531 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.745 0.960 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.530 -0.779 -0.673 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.104 1.867 -0.274 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.652 1.896 -0.251 1.00 0.00 C ATOM 1523 C LEU A 94 -6.155 2.964 0.722 1.00 0.00 C ATOM 1524 O LEU A 94 -5.235 2.725 1.504 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.120 2.174 -1.663 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.599 2.213 -1.823 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -3.988 0.861 -1.491 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.229 2.636 -3.237 1.00 0.00 C ATOM 0 H LEU A 94 -8.509 2.082 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.283 0.927 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.514 1.410 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.523 3.130 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.197 2.947 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.906 0.911 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.227 0.597 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.393 0.104 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.144 2.660 -3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.644 1.924 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.634 3.628 -3.438 1.00 0.00 H new ATOM 1540 N GLU A 95 -6.787 4.130 0.675 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.439 5.250 1.542 1.00 0.00 C ATOM 1542 C GLU A 95 -6.577 4.853 3.019 1.00 0.00 C ATOM 1543 O GLU A 95 -5.678 5.101 3.834 1.00 0.00 O ATOM 1544 CB GLU A 95 -7.357 6.438 1.235 1.00 0.00 C ATOM 1545 CG GLU A 95 -6.940 7.739 1.892 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.637 8.269 1.344 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -5.657 8.905 0.267 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -4.589 8.062 1.983 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.556 4.327 0.034 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.402 5.531 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.391 6.585 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.369 6.191 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.722 8.484 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.843 7.585 2.967 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.697 4.218 3.345 1.00 0.00 N ATOM 1556 CA GLN A 96 -7.977 3.792 4.712 1.00 0.00 C ATOM 1557 C GLN A 96 -7.013 2.696 5.148 1.00 0.00 C ATOM 1558 O GLN A 96 -6.525 2.698 6.280 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.416 3.295 4.831 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.459 4.334 4.458 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.865 3.776 4.482 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.077 2.586 4.251 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.832 4.623 4.750 1.00 0.00 N ATOM 0 H GLN A 96 -8.431 3.985 2.676 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.843 4.653 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.542 2.422 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.593 2.968 5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.393 5.175 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.242 4.721 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.615 5.602 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.800 4.302 4.772 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.737 1.766 4.244 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.832 0.668 4.529 1.00 0.00 C ATOM 1574 C ALA A 97 -4.431 1.180 4.835 1.00 0.00 C ATOM 1575 O ALA A 97 -3.788 0.719 5.776 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.804 -0.311 3.369 1.00 0.00 C ATOM 0 H ALA A 97 -7.131 1.753 3.303 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.199 0.146 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.120 -1.128 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.805 -0.710 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.466 0.202 2.468 1.00 0.00 H new ATOM 1582 N LEU A 98 -3.970 2.151 4.051 1.00 0.00 N ATOM 1583 CA LEU A 98 -2.651 2.741 4.258 1.00 0.00 C ATOM 1584 C LEU A 98 -2.586 3.433 5.612 1.00 0.00 C ATOM 1585 O LEU A 98 -1.564 3.385 6.298 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.323 3.734 3.142 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.222 3.139 1.737 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -1.975 4.228 0.711 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.125 2.088 1.678 1.00 0.00 C ATOM 0 H LEU A 98 -4.490 2.546 3.267 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.911 1.941 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.088 4.510 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.377 4.221 3.380 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.171 2.657 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.906 3.784 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.798 4.942 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.043 4.742 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.069 1.677 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.170 2.544 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.349 1.288 2.384 1.00 0.00 H new ATOM 1601 N GLN A 99 -3.691 4.056 5.994 1.00 0.00 N ATOM 1602 CA GLN A 99 -3.800 4.712 7.277 1.00 0.00 C ATOM 1603 C GLN A 99 -3.662 3.685 8.397 1.00 0.00 C ATOM 1604 O GLN A 99 -2.925 3.889 9.359 1.00 0.00 O ATOM 1605 CB GLN A 99 -5.149 5.424 7.372 1.00 0.00 C ATOM 1606 CG GLN A 99 -5.451 5.999 8.737 1.00 0.00 C ATOM 1607 CD GLN A 99 -6.824 6.626 8.812 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -7.334 7.157 7.829 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -7.434 6.565 9.970 1.00 0.00 N ATOM 0 H GLN A 99 -4.532 4.118 5.421 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.002 5.448 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.175 6.229 6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.938 4.721 7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.375 5.210 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.699 6.748 8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.978 6.115 10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.365 6.967 10.078 1.00 0.00 H new ATOM 1618 N LYS A 100 -4.356 2.567 8.235 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.331 1.484 9.208 1.00 0.00 C ATOM 1620 C LYS A 100 -2.917 0.924 9.351 1.00 0.00 C ATOM 1621 O LYS A 100 -2.453 0.655 10.463 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.296 0.382 8.768 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.372 -0.805 9.711 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.306 -1.866 9.163 1.00 0.00 C ATOM 1625 CE LYS A 100 -6.426 -3.052 10.101 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.341 -4.083 9.562 1.00 0.00 N ATOM 0 H LYS A 100 -4.951 2.385 7.427 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.643 1.870 10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.293 0.811 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.996 0.027 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.377 -1.227 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.721 -0.476 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.292 -1.432 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.941 -2.205 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.441 -3.489 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.789 -2.714 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.399 -4.879 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.287 -3.672 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.981 -4.423 8.648 1.00 0.00 H new ATOM 1640 N ILE A 101 -2.237 0.765 8.220 1.00 0.00 N ATOM 1641 CA ILE A 101 -0.872 0.256 8.208 1.00 0.00 C ATOM 1642 C ILE A 101 0.057 1.176 9.001 1.00 0.00 C ATOM 1643 O ILE A 101 0.868 0.709 9.798 1.00 0.00 O ATOM 1644 CB ILE A 101 -0.336 0.098 6.758 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.173 -0.932 5.989 1.00 0.00 C ATOM 1646 CG2 ILE A 101 1.136 -0.309 6.765 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -0.769 -1.094 4.536 1.00 0.00 C ATOM 0 H ILE A 101 -2.612 0.983 7.297 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.890 -0.727 8.678 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.420 1.061 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.091 -1.897 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.222 -0.639 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 101 1.489 -0.414 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.722 0.455 7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.248 -1.260 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.408 -1.839 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.879 -0.140 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.270 -1.419 4.481 1.00 0.00 H new ATOM 1659 N ARG A 102 -0.083 2.484 8.796 1.00 0.00 N ATOM 1660 CA ARG A 102 0.751 3.465 9.493 1.00 0.00 C ATOM 1661 C ARG A 102 0.547 3.389 10.999 1.00 0.00 C ATOM 1662 O ARG A 102 1.511 3.413 11.763 1.00 0.00 O ATOM 1663 CB ARG A 102 0.455 4.883 9.009 1.00 0.00 C ATOM 1664 CG ARG A 102 0.766 5.116 7.544 1.00 0.00 C ATOM 1665 CD ARG A 102 0.526 6.565 7.154 1.00 0.00 C ATOM 1666 NE ARG A 102 -0.844 6.999 7.440 1.00 0.00 N ATOM 1667 CZ ARG A 102 -1.500 7.935 6.748 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -0.911 8.561 5.738 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -2.739 8.259 7.088 1.00 0.00 N ATOM 0 H ARG A 102 -0.764 2.890 8.155 1.00 0.00 H new ATOM 0 HA ARG A 102 1.789 3.224 9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.598 5.103 9.185 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.032 5.587 9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.804 4.850 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.145 4.464 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.227 7.204 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.730 6.691 6.091 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.330 6.557 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.049 8.329 5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.418 9.274 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.190 7.794 7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.242 8.973 6.562 1.00 0.00 H new ATOM 1683 N GLU A 103 -0.708 3.283 11.419 1.00 0.00 N ATOM 1684 CA GLU A 103 -1.034 3.226 12.839 1.00 0.00 C ATOM 1685 C GLU A 103 -0.396 2.014 13.506 1.00 0.00 C ATOM 1686 O GLU A 103 0.127 2.107 14.619 1.00 0.00 O ATOM 1687 CB GLU A 103 -2.551 3.216 13.049 1.00 0.00 C ATOM 1688 CG GLU A 103 -3.256 4.442 12.486 1.00 0.00 C ATOM 1689 CD GLU A 103 -2.676 5.740 13.011 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -3.169 6.250 14.035 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -1.718 6.259 12.402 1.00 0.00 O1- ATOM 0 H GLU A 103 -1.516 3.235 10.798 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.625 4.121 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.967 2.323 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.760 3.146 14.116 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.185 4.430 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.316 4.394 12.737 1.00 0.00 H new ATOM 1698 N LEU A 104 -0.427 0.886 12.821 1.00 0.00 N ATOM 1699 CA LEU A 104 0.167 -0.333 13.343 1.00 0.00 C ATOM 1700 C LEU A 104 1.690 -0.253 13.295 1.00 0.00 C ATOM 1701 O LEU A 104 2.378 -0.747 14.186 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.320 -1.551 12.550 1.00 0.00 C ATOM 1703 CG LEU A 104 -1.833 -1.801 12.568 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -2.188 -2.990 11.691 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -2.325 -2.024 13.993 1.00 0.00 C ATOM 0 H LEU A 104 -0.857 0.787 11.901 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.144 -0.444 14.382 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.003 -1.436 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.180 -2.438 12.940 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.330 -0.917 12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.266 -3.152 11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.875 -2.792 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.679 -3.880 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.401 -2.199 13.983 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.820 -2.890 14.421 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.107 -1.142 14.595 1.00 0.00 H new ATOM 1717 N ALA A 105 2.205 0.400 12.260 1.00 0.00 N ATOM 1718 CA ALA A 105 3.644 0.520 12.054 1.00 0.00 C ATOM 1719 C ALA A 105 4.305 1.395 13.117 1.00 0.00 C ATOM 1720 O ALA A 105 5.481 1.207 13.441 1.00 0.00 O ATOM 1721 CB ALA A 105 3.926 1.075 10.668 1.00 0.00 C ATOM 0 H ALA A 105 1.642 0.859 11.544 1.00 0.00 H new ATOM 0 HA ALA A 105 4.073 -0.478 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.003 1.161 10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.511 0.404 9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.467 2.059 10.570 1.00 0.00 H new ATOM 1727 N GLU A 106 3.551 2.341 13.659 1.00 0.00 N ATOM 1728 CA GLU A 106 4.067 3.226 14.700 1.00 0.00 C ATOM 1729 C GLU A 106 3.832 2.626 16.076 1.00 0.00 C ATOM 1730 O GLU A 106 4.233 3.208 17.096 1.00 0.00 O ATOM 1731 CB GLU A 106 3.416 4.614 14.619 1.00 0.00 C ATOM 1732 CG GLU A 106 3.662 5.343 13.307 1.00 0.00 C ATOM 1733 CD GLU A 106 3.169 6.776 13.336 1.00 0.00 C ATOM 1734 OE1 GLU A 106 4.010 7.701 13.274 1.00 0.00 O ATOM 1735 OE2 GLU A 106 1.938 6.989 13.422 1.00 0.00 O1- ATOM 0 H GLU A 106 2.581 2.517 13.397 1.00 0.00 H new ATOM 0 HA GLU A 106 5.139 3.337 14.539 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.341 4.508 14.767 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.791 5.227 15.438 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.729 5.334 13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.164 4.807 12.499 1.00 0.00 H new ATOM 1742 N LYS A 107 3.177 1.453 16.093 1.00 0.00 N ATOM 1743 CA LYS A 107 2.816 0.733 17.324 1.00 0.00 C ATOM 1744 C LYS A 107 1.697 1.456 18.062 1.00 0.00 C ATOM 1745 O LYS A 107 0.583 0.947 18.185 1.00 0.00 O ATOM 1746 CB LYS A 107 4.024 0.543 18.260 1.00 0.00 C ATOM 1747 CG LYS A 107 5.188 -0.233 17.655 1.00 0.00 C ATOM 1748 CD LYS A 107 6.288 -0.469 18.689 1.00 0.00 C ATOM 1749 CE LYS A 107 6.854 0.843 19.223 1.00 0.00 C ATOM 1750 NZ LYS A 107 7.802 0.628 20.346 1.00 0.00 N ATOM 0 H LYS A 107 2.881 0.974 15.243 1.00 0.00 H new ATOM 0 HA LYS A 107 2.469 -0.256 17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.383 1.524 18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.690 0.026 19.160 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.832 -1.190 17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.594 0.317 16.806 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.889 -1.056 19.516 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.090 -1.055 18.239 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.362 1.373 18.417 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.036 1.481 19.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.162 1.546 20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.312 0.146 21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.597 0.041 20.022 1.00 0.00 H new