USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 LYS NZ :NH3+ -152:sc= -5.5! (180deg=-5.48!) USER MOD Set 1.2: A 85 THR OG1 : rot -62:sc= 0.492 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -3.89 K(o=-3.9,f=-8.8!) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -34:sc= 0.0149 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-1.3) USER MOD Single : A 53 SER OG : rot -79:sc= 0.286 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00678 USER MOD Single : A 63 THR OG1 : rot -67:sc= 1.12 USER MOD Single : A 66 ASN : amide:sc= -8.96! C(o=-9!,f=-5!) USER MOD Single : A 68 THR OG1 : rot 80:sc= 0.093 USER MOD Single : A 69 SER OG : rot 30:sc= 0.429 USER MOD Single : A 78 CYS SG : rot 160:sc= -2.55 USER MOD Single : A 79 GLN : amide:sc=-0.00131 K(o=-0.0013,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -3.09! C(o=-3.1!,f=-9.2!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00902 USER MOD Single : A 90 SER OG : rot -55:sc= 0.0315 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.947 1.354 -10.147 1.00 0.00 N ATOM 104 CA ARG A 11 4.389 -0.030 -10.264 1.00 0.00 C ATOM 105 C ARG A 11 3.290 -0.991 -9.821 1.00 0.00 C ATOM 106 O ARG A 11 2.833 -0.942 -8.679 1.00 0.00 O ATOM 107 CB ARG A 11 5.649 -0.258 -9.427 1.00 0.00 C ATOM 108 CG ARG A 11 6.502 -1.418 -9.913 1.00 0.00 C ATOM 109 CD ARG A 11 7.291 -2.045 -8.775 1.00 0.00 C ATOM 110 NE ARG A 11 8.069 -3.199 -9.218 1.00 0.00 N ATOM 111 CZ ARG A 11 9.167 -3.104 -9.960 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.614 -1.914 -10.338 1.00 0.00 N ATOM 113 NH2 ARG A 11 9.820 -4.200 -10.324 1.00 0.00 N ATOM 0 HA ARG A 11 4.617 -0.225 -11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.250 0.652 -9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.359 -0.440 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.864 -2.172 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.189 -1.068 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.961 -1.300 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.606 -2.352 -7.985 1.00 0.00 H new ATOM 0 HE ARG A 11 7.752 -4.129 -8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.115 -1.069 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.457 -1.843 -10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.479 -5.117 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.663 -4.126 -10.894 1.00 0.00 H new ATOM 127 N GLU A 12 2.870 -1.863 -10.732 1.00 0.00 N ATOM 128 CA GLU A 12 1.824 -2.834 -10.434 1.00 0.00 C ATOM 129 C GLU A 12 2.423 -4.133 -9.900 1.00 0.00 C ATOM 130 O GLU A 12 3.010 -4.913 -10.650 1.00 0.00 O ATOM 131 CB GLU A 12 0.992 -3.121 -11.686 1.00 0.00 C ATOM 132 CG GLU A 12 -0.407 -3.630 -11.383 1.00 0.00 C ATOM 133 CD GLU A 12 -1.122 -4.142 -12.619 1.00 0.00 C ATOM 134 OE1 GLU A 12 -0.466 -4.795 -13.457 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.338 -3.889 -12.747 1.00 0.00 O ATOM 0 H GLU A 12 3.238 -1.917 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 12 1.178 -2.409 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.917 -2.210 -12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.513 -3.858 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.347 -4.430 -10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.993 -2.827 -10.935 1.00 0.00 H new ATOM 142 N VAL A 13 2.270 -4.357 -8.599 1.00 0.00 N ATOM 143 CA VAL A 13 2.794 -5.560 -7.963 1.00 0.00 C ATOM 144 C VAL A 13 1.666 -6.438 -7.434 1.00 0.00 C ATOM 145 O VAL A 13 1.012 -6.099 -6.446 1.00 0.00 O ATOM 146 CB VAL A 13 3.747 -5.212 -6.804 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.375 -6.474 -6.233 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.817 -4.237 -7.269 1.00 0.00 C ATOM 0 H VAL A 13 1.787 -3.721 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 13 3.347 -6.107 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 13 3.170 -4.732 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.045 -6.209 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.591 -7.134 -5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.939 -6.985 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.481 -4.002 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.393 -4.687 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.345 -3.322 -7.626 1.00 0.00 H new ATOM 158 N HIS A 14 1.442 -7.568 -8.096 1.00 0.00 N ATOM 159 CA HIS A 14 0.392 -8.497 -7.691 1.00 0.00 C ATOM 160 C HIS A 14 0.910 -9.479 -6.646 1.00 0.00 C ATOM 161 O HIS A 14 1.989 -10.053 -6.799 1.00 0.00 O ATOM 162 CB HIS A 14 -0.140 -9.259 -8.906 1.00 0.00 C ATOM 163 CG HIS A 14 -0.563 -8.369 -10.033 1.00 0.00 C ATOM 164 ND1 HIS A 14 -1.686 -8.604 -10.797 1.00 0.00 N ATOM 165 CD2 HIS A 14 -0.007 -7.236 -10.524 1.00 0.00 C ATOM 166 CE1 HIS A 14 -1.802 -7.656 -11.710 1.00 0.00 C ATOM 167 NE2 HIS A 14 -0.795 -6.813 -11.566 1.00 0.00 N ATOM 0 H HIS A 14 1.973 -7.863 -8.915 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.420 -7.920 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.631 -9.941 -9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.989 -9.870 -8.598 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.328 -9.388 -10.676 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.890 -6.754 -10.163 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.587 -7.583 -12.448 1.00 0.00 H new ATOM 175 N LEU A 15 0.135 -9.668 -5.583 1.00 0.00 N ATOM 176 CA LEU A 15 0.516 -10.581 -4.511 1.00 0.00 C ATOM 177 C LEU A 15 -0.498 -11.713 -4.374 1.00 0.00 C ATOM 178 O LEU A 15 -1.616 -11.621 -4.880 1.00 0.00 O ATOM 179 CB LEU A 15 0.635 -9.824 -3.188 1.00 0.00 C ATOM 180 CG LEU A 15 1.525 -8.581 -3.204 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.185 -7.666 -2.037 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.994 -8.976 -3.164 1.00 0.00 C ATOM 0 H LEU A 15 -0.761 -9.201 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 15 1.484 -11.014 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.365 -9.527 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.017 -10.511 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 15 1.341 -8.038 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.828 -6.787 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.143 -7.355 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.340 -8.200 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.613 -8.079 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.194 -9.542 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.229 -9.591 -4.033 1.00 0.00 H new ATOM 194 N GLU A 16 -0.100 -12.777 -3.684 1.00 0.00 N ATOM 195 CA GLU A 16 -0.976 -13.925 -3.479 1.00 0.00 C ATOM 196 C GLU A 16 -1.034 -14.308 -2.003 1.00 0.00 C ATOM 197 O GLU A 16 -0.082 -14.863 -1.455 1.00 0.00 O ATOM 198 CB GLU A 16 -0.493 -15.117 -4.308 1.00 0.00 C ATOM 199 CG GLU A 16 -0.951 -15.077 -5.756 1.00 0.00 C ATOM 200 CD GLU A 16 -2.339 -15.657 -5.945 1.00 0.00 C ATOM 201 OE1 GLU A 16 -3.256 -15.258 -5.197 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.508 -16.510 -6.841 1.00 0.00 O ATOM 0 H GLU A 16 0.822 -12.868 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.979 -13.648 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.596 -15.150 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.851 -16.038 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.941 -14.045 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.243 -15.631 -6.373 1.00 0.00 H new ATOM 209 N LYS A 17 -2.160 -14.007 -1.364 1.00 0.00 N ATOM 210 CA LYS A 17 -2.345 -14.319 0.048 1.00 0.00 C ATOM 211 C LYS A 17 -3.351 -15.452 0.227 1.00 0.00 C ATOM 212 O LYS A 17 -3.995 -15.880 -0.731 1.00 0.00 O ATOM 213 CB LYS A 17 -2.819 -13.078 0.808 1.00 0.00 C ATOM 214 CG LYS A 17 -4.328 -12.905 0.810 1.00 0.00 C ATOM 215 CD LYS A 17 -4.761 -11.795 1.753 1.00 0.00 C ATOM 216 CE LYS A 17 -4.622 -10.426 1.104 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.757 -9.325 2.097 1.00 0.00 N ATOM 0 H LYS A 17 -2.958 -13.547 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.385 -14.641 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.467 -13.137 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.361 -12.194 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.671 -12.680 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.802 -13.841 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.797 -11.954 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.158 -11.831 2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.652 -10.354 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.381 -10.312 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.126 -8.475 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.413 -9.615 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.826 -9.115 2.511 1.00 0.00 H new ATOM 231 N ARG A 18 -3.480 -15.932 1.459 1.00 0.00 N ATOM 232 CA ARG A 18 -4.408 -17.016 1.763 1.00 0.00 C ATOM 233 C ARG A 18 -5.682 -16.476 2.406 1.00 0.00 C ATOM 234 O ARG A 18 -5.628 -15.661 3.327 1.00 0.00 O ATOM 235 CB ARG A 18 -3.747 -18.035 2.693 1.00 0.00 C ATOM 236 CG ARG A 18 -2.759 -18.951 1.989 1.00 0.00 C ATOM 237 CD ARG A 18 -2.450 -20.184 2.823 1.00 0.00 C ATOM 238 NE ARG A 18 -1.593 -21.127 2.110 1.00 0.00 N ATOM 239 CZ ARG A 18 -0.285 -20.956 1.952 1.00 0.00 C ATOM 240 NH1 ARG A 18 0.313 -19.885 2.455 1.00 0.00 N ATOM 241 NH2 ARG A 18 0.428 -21.859 1.291 1.00 0.00 N ATOM 0 H ARG A 18 -2.954 -15.588 2.263 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.674 -17.507 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.231 -17.503 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.521 -18.642 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.167 -19.255 1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.837 -18.406 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.963 -19.882 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.382 -20.678 3.099 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.022 -21.962 1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.231 -19.189 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.317 -19.757 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.028 -22.685 0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.432 -21.727 1.170 1.00 0.00 H new ATOM 255 N ARG A 19 -6.828 -16.936 1.914 1.00 0.00 N ATOM 256 CA ARG A 19 -8.115 -16.499 2.439 1.00 0.00 C ATOM 257 C ARG A 19 -8.114 -16.513 3.964 1.00 0.00 C ATOM 258 O ARG A 19 -7.939 -17.560 4.585 1.00 0.00 O ATOM 259 CB ARG A 19 -9.237 -17.395 1.911 1.00 0.00 C ATOM 260 CG ARG A 19 -10.606 -16.735 1.932 1.00 0.00 C ATOM 261 CD ARG A 19 -11.584 -17.452 1.014 1.00 0.00 C ATOM 262 NE ARG A 19 -12.971 -17.123 1.330 1.00 0.00 N ATOM 263 CZ ARG A 19 -14.015 -17.685 0.729 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.828 -18.599 -0.213 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.247 -17.333 1.072 1.00 0.00 N ATOM 0 H ARG A 19 -6.891 -17.611 1.152 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.287 -15.477 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.002 -17.692 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.273 -18.306 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.995 -16.734 2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.514 -15.693 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.374 -17.182 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.438 -18.529 1.099 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.149 -16.424 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.882 -18.872 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.631 -19.029 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.394 -16.631 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.048 -17.764 0.611 1.00 0.00 H new ATOM 279 N GLY A 20 -8.310 -15.342 4.562 1.00 0.00 N ATOM 280 CA GLY A 20 -8.327 -15.242 6.010 1.00 0.00 C ATOM 281 C GLY A 20 -6.939 -15.078 6.596 1.00 0.00 C ATOM 282 O GLY A 20 -6.691 -15.466 7.737 1.00 0.00 O ATOM 0 H GLY A 20 -8.457 -14.461 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.945 -14.394 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.791 -16.136 6.427 1.00 0.00 H new ATOM 286 N GLU A 21 -6.031 -14.504 5.813 1.00 0.00 N ATOM 287 CA GLU A 21 -4.660 -14.293 6.261 1.00 0.00 C ATOM 288 C GLU A 21 -4.312 -12.807 6.270 1.00 0.00 C ATOM 289 O GLU A 21 -4.207 -12.177 5.219 1.00 0.00 O ATOM 290 CB GLU A 21 -3.683 -15.051 5.360 1.00 0.00 C ATOM 291 CG GLU A 21 -2.223 -14.774 5.677 1.00 0.00 C ATOM 292 CD GLU A 21 -1.291 -15.820 5.096 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.246 -16.943 5.642 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.608 -15.517 4.096 1.00 0.00 O ATOM 0 H GLU A 21 -6.220 -14.177 4.866 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.575 -14.674 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.870 -16.121 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.878 -14.784 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.950 -13.793 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.091 -14.735 6.758 1.00 0.00 H new ATOM 301 N GLY A 22 -4.137 -12.254 7.467 1.00 0.00 N ATOM 302 CA GLY A 22 -3.804 -10.847 7.591 1.00 0.00 C ATOM 303 C GLY A 22 -2.793 -10.396 6.556 1.00 0.00 C ATOM 304 O GLY A 22 -1.694 -10.944 6.470 1.00 0.00 O ATOM 0 H GLY A 22 -4.220 -12.755 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.712 -10.252 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.407 -10.657 8.588 1.00 0.00 H new ATOM 308 N LEU A 23 -3.165 -9.395 5.765 1.00 0.00 N ATOM 309 CA LEU A 23 -2.283 -8.871 4.728 1.00 0.00 C ATOM 310 C LEU A 23 -0.841 -8.803 5.222 1.00 0.00 C ATOM 311 O LEU A 23 0.098 -9.041 4.464 1.00 0.00 O ATOM 312 CB LEU A 23 -2.749 -7.482 4.288 1.00 0.00 C ATOM 313 CG LEU A 23 -2.446 -7.100 2.839 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.786 -5.639 2.589 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.986 -7.374 2.509 1.00 0.00 C ATOM 0 H LEU A 23 -4.071 -8.930 5.822 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.324 -9.548 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.826 -7.416 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.288 -6.742 4.942 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.067 -7.713 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.564 -5.386 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.846 -5.474 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.193 -5.009 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.789 -7.096 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.347 -6.788 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.775 -8.434 2.647 1.00 0.00 H new ATOM 327 N GLY A 24 -0.674 -8.478 6.501 1.00 0.00 N ATOM 328 CA GLY A 24 0.655 -8.387 7.075 1.00 0.00 C ATOM 329 C GLY A 24 1.433 -7.196 6.551 1.00 0.00 C ATOM 330 O GLY A 24 2.507 -7.354 5.969 1.00 0.00 O ATOM 0 H GLY A 24 -1.436 -8.276 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.575 -8.316 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.206 -9.302 6.855 1.00 0.00 H new ATOM 334 N VAL A 25 0.891 -6.000 6.755 1.00 0.00 N ATOM 335 CA VAL A 25 1.540 -4.778 6.297 1.00 0.00 C ATOM 336 C VAL A 25 1.296 -3.629 7.269 1.00 0.00 C ATOM 337 O VAL A 25 0.157 -3.355 7.648 1.00 0.00 O ATOM 338 CB VAL A 25 1.043 -4.367 4.898 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.618 -5.291 3.835 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.477 -4.369 4.852 1.00 0.00 C ATOM 0 H VAL A 25 0.003 -5.851 7.235 1.00 0.00 H new ATOM 0 HA VAL A 25 2.608 -4.988 6.247 1.00 0.00 H new ATOM 0 HB VAL A 25 1.389 -3.354 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.256 -4.986 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.706 -5.235 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.304 -6.315 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.811 -4.076 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.847 -5.369 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.864 -3.663 5.587 1.00 0.00 H new ATOM 350 N ALA A 26 2.372 -2.959 7.668 1.00 0.00 N ATOM 351 CA ALA A 26 2.274 -1.838 8.594 1.00 0.00 C ATOM 352 C ALA A 26 2.471 -0.510 7.870 1.00 0.00 C ATOM 353 O ALA A 26 3.578 -0.184 7.439 1.00 0.00 O ATOM 354 CB ALA A 26 3.294 -1.987 9.713 1.00 0.00 C ATOM 0 H ALA A 26 3.322 -3.173 7.364 1.00 0.00 H new ATOM 0 HA ALA A 26 1.273 -1.842 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.209 -1.143 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.106 -2.914 10.255 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.298 -2.011 9.289 1.00 0.00 H new ATOM 360 N LEU A 27 1.391 0.253 7.740 1.00 0.00 N ATOM 361 CA LEU A 27 1.445 1.547 7.067 1.00 0.00 C ATOM 362 C LEU A 27 1.468 2.687 8.080 1.00 0.00 C ATOM 363 O LEU A 27 1.282 2.471 9.278 1.00 0.00 O ATOM 364 CB LEU A 27 0.247 1.706 6.129 1.00 0.00 C ATOM 365 CG LEU A 27 -0.018 0.541 5.175 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.502 0.440 4.856 1.00 0.00 C ATOM 367 CD2 LEU A 27 0.794 0.701 3.899 1.00 0.00 C ATOM 0 H LEU A 27 0.468 -0.001 8.091 1.00 0.00 H new ATOM 0 HA LEU A 27 2.364 1.587 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.645 1.863 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.393 2.609 5.536 1.00 0.00 H new ATOM 0 HG LEU A 27 0.291 -0.382 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.672 -0.395 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.062 0.277 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.837 1.365 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.593 -0.137 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.516 1.632 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.856 0.723 4.144 1.00 0.00 H new ATOM 379 N VAL A 28 1.694 3.902 7.591 1.00 0.00 N ATOM 380 CA VAL A 28 1.738 5.077 8.453 1.00 0.00 C ATOM 381 C VAL A 28 1.424 6.346 7.668 1.00 0.00 C ATOM 382 O VAL A 28 1.222 6.303 6.455 1.00 0.00 O ATOM 383 CB VAL A 28 3.116 5.230 9.125 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.207 4.350 10.362 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.227 4.898 8.141 1.00 0.00 C ATOM 0 H VAL A 28 1.849 4.098 6.602 1.00 0.00 H new ATOM 0 HA VAL A 28 0.981 4.933 9.224 1.00 0.00 H new ATOM 0 HB VAL A 28 3.236 6.267 9.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.187 4.471 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.433 4.640 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.066 3.307 10.078 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.194 5.011 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.113 3.870 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.172 5.574 7.288 1.00 0.00 H new ATOM 395 N GLU A 29 1.384 7.474 8.370 1.00 0.00 N ATOM 396 CA GLU A 29 1.094 8.756 7.738 1.00 0.00 C ATOM 397 C GLU A 29 2.369 9.575 7.558 1.00 0.00 C ATOM 398 O GLU A 29 3.075 9.864 8.524 1.00 0.00 O ATOM 399 CB GLU A 29 0.082 9.544 8.572 1.00 0.00 C ATOM 400 CG GLU A 29 -1.363 9.272 8.192 1.00 0.00 C ATOM 401 CD GLU A 29 -2.321 10.299 8.765 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.955 10.959 9.760 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.434 10.443 8.219 1.00 0.00 O ATOM 0 H GLU A 29 1.549 7.526 9.375 1.00 0.00 H new ATOM 0 HA GLU A 29 0.668 8.559 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.224 9.301 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.284 10.609 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.453 9.263 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.647 8.280 8.544 1.00 0.00 H new ATOM 522 N THR A 38 0.287 10.833 2.544 1.00 0.00 N ATOM 523 CA THR A 38 0.644 9.699 1.701 1.00 0.00 C ATOM 524 C THR A 38 0.797 8.427 2.527 1.00 0.00 C ATOM 525 O THR A 38 1.308 8.460 3.646 1.00 0.00 O ATOM 526 CB THR A 38 1.953 9.960 0.933 1.00 0.00 C ATOM 527 OG1 THR A 38 3.047 10.067 1.851 1.00 0.00 O ATOM 528 CG2 THR A 38 1.851 11.233 0.106 1.00 0.00 C ATOM 0 HA THR A 38 -0.168 9.569 0.986 1.00 0.00 H new ATOM 0 HB THR A 38 2.126 9.121 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.737 10.483 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.787 11.396 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.037 11.136 -0.612 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.656 12.080 0.764 1.00 0.00 H new ATOM 536 N ALA A 39 0.353 7.306 1.967 1.00 0.00 N ATOM 537 CA ALA A 39 0.444 6.023 2.652 1.00 0.00 C ATOM 538 C ALA A 39 1.840 5.424 2.513 1.00 0.00 C ATOM 539 O ALA A 39 2.199 4.898 1.459 1.00 0.00 O ATOM 540 CB ALA A 39 -0.602 5.060 2.109 1.00 0.00 C ATOM 0 H ALA A 39 -0.073 7.261 1.041 1.00 0.00 H new ATOM 0 HA ALA A 39 0.253 6.190 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.523 4.106 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.597 5.477 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.437 4.907 1.043 1.00 0.00 H new ATOM 546 N VAL A 40 2.624 5.508 3.583 1.00 0.00 N ATOM 547 CA VAL A 40 3.981 4.974 3.580 1.00 0.00 C ATOM 548 C VAL A 40 4.090 3.744 4.475 1.00 0.00 C ATOM 549 O VAL A 40 3.644 3.759 5.623 1.00 0.00 O ATOM 550 CB VAL A 40 5.000 6.029 4.049 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.415 5.477 3.970 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.868 7.300 3.225 1.00 0.00 C ATOM 0 H VAL A 40 2.343 5.941 4.463 1.00 0.00 H new ATOM 0 HA VAL A 40 4.208 4.692 2.552 1.00 0.00 H new ATOM 0 HB VAL A 40 4.789 6.275 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.121 6.237 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.498 4.597 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.641 5.201 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.596 8.035 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.051 7.073 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.862 7.705 3.339 1.00 0.00 H new ATOM 562 N ILE A 41 4.685 2.683 3.943 1.00 0.00 N ATOM 563 CA ILE A 41 4.854 1.445 4.694 1.00 0.00 C ATOM 564 C ILE A 41 5.820 1.637 5.858 1.00 0.00 C ATOM 565 O ILE A 41 7.020 1.823 5.658 1.00 0.00 O ATOM 566 CB ILE A 41 5.370 0.307 3.795 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.358 0.002 2.688 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.647 -0.939 4.624 1.00 0.00 C ATOM 569 CD1 ILE A 41 4.852 -1.011 1.680 1.00 0.00 C ATOM 0 H ILE A 41 5.059 2.655 2.994 1.00 0.00 H new ATOM 0 HA ILE A 41 3.872 1.173 5.081 1.00 0.00 H new ATOM 0 HB ILE A 41 6.303 0.626 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.437 -0.367 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.110 0.928 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.011 -1.735 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.400 -0.714 5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.728 -1.262 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.083 -1.178 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.756 -0.636 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.073 -1.950 2.187 1.00 0.00 H new ATOM 581 N ALA A 42 5.288 1.588 7.076 1.00 0.00 N ATOM 582 CA ALA A 42 6.104 1.752 8.272 1.00 0.00 C ATOM 583 C ALA A 42 6.918 0.495 8.558 1.00 0.00 C ATOM 584 O ALA A 42 8.100 0.572 8.891 1.00 0.00 O ATOM 585 CB ALA A 42 5.226 2.097 9.466 1.00 0.00 C ATOM 0 H ALA A 42 4.296 1.436 7.259 1.00 0.00 H new ATOM 0 HA ALA A 42 6.800 2.572 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.848 2.217 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.693 3.027 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.507 1.295 9.633 1.00 0.00 H new ATOM 591 N ASN A 43 6.278 -0.662 8.427 1.00 0.00 N ATOM 592 CA ASN A 43 6.944 -1.936 8.672 1.00 0.00 C ATOM 593 C ASN A 43 6.212 -3.077 7.971 1.00 0.00 C ATOM 594 O ASN A 43 5.004 -3.006 7.742 1.00 0.00 O ATOM 595 CB ASN A 43 7.022 -2.213 10.175 1.00 0.00 C ATOM 596 CG ASN A 43 8.236 -3.044 10.547 1.00 0.00 C ATOM 597 OD1 ASN A 43 9.346 -2.524 10.662 1.00 0.00 O ATOM 598 ND2 ASN A 43 8.028 -4.341 10.737 1.00 0.00 N ATOM 0 H ASN A 43 5.299 -0.744 8.153 1.00 0.00 H new ATOM 0 HA ASN A 43 7.954 -1.873 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.053 -1.267 10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.118 -2.732 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.806 -4.951 10.989 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.090 -4.728 10.631 1.00 0.00 H new ATOM 605 N LEU A 44 6.951 -4.128 7.633 1.00 0.00 N ATOM 606 CA LEU A 44 6.372 -5.285 6.959 1.00 0.00 C ATOM 607 C LEU A 44 6.858 -6.584 7.593 1.00 0.00 C ATOM 608 O LEU A 44 8.062 -6.824 7.699 1.00 0.00 O ATOM 609 CB LEU A 44 6.731 -5.265 5.472 1.00 0.00 C ATOM 610 CG LEU A 44 6.138 -4.117 4.654 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.488 -4.273 3.183 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.629 -4.052 4.841 1.00 0.00 C ATOM 0 H LEU A 44 7.952 -4.203 7.815 1.00 0.00 H new ATOM 0 HA LEU A 44 5.289 -5.233 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.817 -5.226 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.407 -6.206 5.028 1.00 0.00 H new ATOM 0 HG LEU A 44 6.569 -3.182 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.057 -3.447 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.572 -4.268 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.086 -5.216 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.224 -3.229 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.181 -4.989 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.400 -3.891 5.894 1.00 0.00 H new ATOM 624 N LEU A 45 5.915 -7.420 8.012 1.00 0.00 N ATOM 625 CA LEU A 45 6.247 -8.697 8.635 1.00 0.00 C ATOM 626 C LEU A 45 7.048 -9.577 7.679 1.00 0.00 C ATOM 627 O LEU A 45 6.486 -10.218 6.791 1.00 0.00 O ATOM 628 CB LEU A 45 4.971 -9.423 9.066 1.00 0.00 C ATOM 629 CG LEU A 45 5.170 -10.719 9.853 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.901 -11.087 10.606 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.586 -11.849 8.922 1.00 0.00 C ATOM 0 H LEU A 45 4.915 -7.237 7.932 1.00 0.00 H new ATOM 0 HA LEU A 45 6.859 -8.497 9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.376 -8.741 9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.386 -9.649 8.174 1.00 0.00 H new ATOM 0 HG LEU A 45 5.966 -10.561 10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.062 -12.012 11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.646 -10.287 11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.085 -11.226 9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.723 -12.764 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.811 -12.006 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.522 -11.588 8.428 1.00 0.00 H new ATOM 643 N HIS A 46 8.363 -9.604 7.870 1.00 0.00 N ATOM 644 CA HIS A 46 9.241 -10.408 7.027 1.00 0.00 C ATOM 645 C HIS A 46 8.735 -11.844 6.929 1.00 0.00 C ATOM 646 O HIS A 46 9.071 -12.689 7.757 1.00 0.00 O ATOM 647 CB HIS A 46 10.666 -10.394 7.580 1.00 0.00 C ATOM 648 CG HIS A 46 11.500 -9.264 7.058 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.017 -8.314 6.184 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.792 -8.935 7.294 1.00 0.00 C ATOM 651 CE1 HIS A 46 11.976 -7.450 5.903 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.063 -7.804 6.564 1.00 0.00 N ATOM 0 H HIS A 46 8.844 -9.079 8.600 1.00 0.00 H new ATOM 0 HA HIS A 46 9.243 -9.973 6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.624 -10.332 8.667 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.152 -11.338 7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.481 -9.463 7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.886 -6.599 5.244 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.959 -7.316 6.537 1.00 0.00 H new ATOM 660 N GLY A 47 7.923 -12.112 5.910 1.00 0.00 N ATOM 661 CA GLY A 47 7.383 -13.446 5.723 1.00 0.00 C ATOM 662 C GLY A 47 5.934 -13.428 5.279 1.00 0.00 C ATOM 663 O GLY A 47 5.343 -14.476 5.023 1.00 0.00 O ATOM 0 H GLY A 47 7.630 -11.429 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.981 -13.976 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.467 -14.003 6.656 1.00 0.00 H new ATOM 667 N GLY A 48 5.359 -12.232 5.188 1.00 0.00 N ATOM 668 CA GLY A 48 3.974 -12.104 4.774 1.00 0.00 C ATOM 669 C GLY A 48 3.812 -12.171 3.268 1.00 0.00 C ATOM 670 O GLY A 48 4.783 -12.300 2.522 1.00 0.00 O ATOM 0 H GLY A 48 5.828 -11.350 5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.385 -12.897 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.575 -11.157 5.138 1.00 0.00 H new ATOM 674 N PRO A 49 2.558 -12.084 2.800 1.00 0.00 N ATOM 675 CA PRO A 49 2.241 -12.134 1.370 1.00 0.00 C ATOM 676 C PRO A 49 2.709 -10.886 0.628 1.00 0.00 C ATOM 677 O PRO A 49 3.159 -10.964 -0.514 1.00 0.00 O ATOM 678 CB PRO A 49 0.713 -12.228 1.348 1.00 0.00 C ATOM 679 CG PRO A 49 0.277 -11.608 2.630 1.00 0.00 C ATOM 680 CD PRO A 49 1.352 -11.929 3.632 1.00 0.00 C ATOM 0 HA PRO A 49 2.740 -12.965 0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.296 -11.699 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.381 -13.264 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.155 -10.530 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.686 -12.007 2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.469 -11.131 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.126 -12.840 4.186 1.00 0.00 H new ATOM 688 N ALA A 50 2.600 -9.737 1.287 1.00 0.00 N ATOM 689 CA ALA A 50 3.014 -8.473 0.690 1.00 0.00 C ATOM 690 C ALA A 50 4.522 -8.277 0.812 1.00 0.00 C ATOM 691 O ALA A 50 5.113 -7.478 0.086 1.00 0.00 O ATOM 692 CB ALA A 50 2.275 -7.314 1.343 1.00 0.00 C ATOM 0 H ALA A 50 2.229 -9.655 2.234 1.00 0.00 H new ATOM 0 HA ALA A 50 2.761 -8.500 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.594 -6.376 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.202 -7.440 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.499 -7.294 2.409 1.00 0.00 H new ATOM 698 N GLU A 51 5.137 -9.010 1.735 1.00 0.00 N ATOM 699 CA GLU A 51 6.576 -8.914 1.951 1.00 0.00 C ATOM 700 C GLU A 51 7.324 -9.927 1.090 1.00 0.00 C ATOM 701 O GLU A 51 8.342 -9.604 0.476 1.00 0.00 O ATOM 702 CB GLU A 51 6.908 -9.140 3.428 1.00 0.00 C ATOM 703 CG GLU A 51 8.381 -8.964 3.754 1.00 0.00 C ATOM 704 CD GLU A 51 9.171 -10.249 3.597 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.583 -11.254 3.143 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.375 -10.251 3.927 1.00 0.00 O ATOM 0 H GLU A 51 4.662 -9.676 2.344 1.00 0.00 H new ATOM 0 HA GLU A 51 6.895 -7.912 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.325 -8.446 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.599 -10.146 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.805 -8.200 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.482 -8.602 4.777 1.00 0.00 H new ATOM 713 N ARG A 52 6.813 -11.153 1.049 1.00 0.00 N ATOM 714 CA ARG A 52 7.433 -12.214 0.265 1.00 0.00 C ATOM 715 C ARG A 52 7.776 -11.723 -1.138 1.00 0.00 C ATOM 716 O ARG A 52 8.688 -12.242 -1.783 1.00 0.00 O ATOM 717 CB ARG A 52 6.503 -13.425 0.180 1.00 0.00 C ATOM 718 CG ARG A 52 5.313 -13.215 -0.742 1.00 0.00 C ATOM 719 CD ARG A 52 4.728 -14.540 -1.208 1.00 0.00 C ATOM 720 NE ARG A 52 4.649 -15.514 -0.123 1.00 0.00 N ATOM 721 CZ ARG A 52 4.573 -16.826 -0.318 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.565 -17.317 -1.550 1.00 0.00 N ATOM 723 NH2 ARG A 52 4.504 -17.650 0.720 1.00 0.00 N ATOM 0 H ARG A 52 5.971 -11.436 1.550 1.00 0.00 H new ATOM 0 HA ARG A 52 8.356 -12.508 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.073 -14.287 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.140 -13.665 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.546 -12.640 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.621 -12.628 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.732 -14.372 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.341 -14.944 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 52 4.652 -15.168 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.617 -16.687 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.507 -18.325 -1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.509 -17.276 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.446 -18.657 0.569 1.00 0.00 H new ATOM 737 N SER A 53 7.040 -10.720 -1.606 1.00 0.00 N ATOM 738 CA SER A 53 7.263 -10.162 -2.934 1.00 0.00 C ATOM 739 C SER A 53 8.732 -9.802 -3.132 1.00 0.00 C ATOM 740 O SER A 53 9.275 -9.943 -4.227 1.00 0.00 O ATOM 741 CB SER A 53 6.390 -8.923 -3.143 1.00 0.00 C ATOM 742 OG SER A 53 6.967 -7.783 -2.530 1.00 0.00 O ATOM 0 H SER A 53 6.284 -10.277 -1.084 1.00 0.00 H new ATOM 0 HA SER A 53 6.990 -10.919 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.262 -8.740 -4.210 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.397 -9.099 -2.728 1.00 0.00 H new ATOM 0 HG SER A 53 6.787 -7.803 -1.567 1.00 0.00 H new ATOM 748 N GLY A 54 9.370 -9.336 -2.063 1.00 0.00 N ATOM 749 CA GLY A 54 10.771 -8.962 -2.139 1.00 0.00 C ATOM 750 C GLY A 54 10.968 -7.557 -2.671 1.00 0.00 C ATOM 751 O GLY A 54 11.981 -6.916 -2.391 1.00 0.00 O ATOM 0 H GLY A 54 8.942 -9.211 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.218 -9.038 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.298 -9.668 -2.781 1.00 0.00 H new ATOM 755 N ALA A 55 9.998 -7.076 -3.442 1.00 0.00 N ATOM 756 CA ALA A 55 10.069 -5.737 -4.014 1.00 0.00 C ATOM 757 C ALA A 55 9.411 -4.712 -3.096 1.00 0.00 C ATOM 758 O ALA A 55 9.767 -3.533 -3.109 1.00 0.00 O ATOM 759 CB ALA A 55 9.416 -5.714 -5.388 1.00 0.00 C ATOM 0 H ALA A 55 9.154 -7.594 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 55 11.120 -5.469 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.477 -4.708 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.933 -6.410 -6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.370 -6.007 -5.299 1.00 0.00 H new ATOM 765 N LEU A 56 8.449 -5.168 -2.301 1.00 0.00 N ATOM 766 CA LEU A 56 7.741 -4.290 -1.376 1.00 0.00 C ATOM 767 C LEU A 56 8.320 -4.399 0.030 1.00 0.00 C ATOM 768 O LEU A 56 8.158 -5.417 0.703 1.00 0.00 O ATOM 769 CB LEU A 56 6.251 -4.636 -1.354 1.00 0.00 C ATOM 770 CG LEU A 56 5.614 -4.948 -2.709 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.425 -5.880 -2.538 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.191 -3.664 -3.408 1.00 0.00 C ATOM 0 H LEU A 56 8.142 -6.140 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 56 7.865 -3.264 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.108 -5.497 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.711 -3.802 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 56 6.356 -5.449 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.985 -6.091 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.756 -6.812 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.680 -5.406 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.740 -3.905 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.466 -3.135 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.064 -3.031 -3.565 1.00 0.00 H new ATOM 784 N SER A 57 8.995 -3.341 0.470 1.00 0.00 N ATOM 785 CA SER A 57 9.601 -3.318 1.796 1.00 0.00 C ATOM 786 C SER A 57 9.262 -2.021 2.525 1.00 0.00 C ATOM 787 O SER A 57 8.489 -1.201 2.029 1.00 0.00 O ATOM 788 CB SER A 57 11.119 -3.474 1.690 1.00 0.00 C ATOM 789 OG SER A 57 11.648 -4.106 2.842 1.00 0.00 O ATOM 0 H SER A 57 9.136 -2.489 -0.073 1.00 0.00 H new ATOM 0 HA SER A 57 9.196 -4.153 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.367 -4.059 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.581 -2.495 1.564 1.00 0.00 H new ATOM 0 HG SER A 57 12.619 -4.196 2.749 1.00 0.00 H new ATOM 795 N ILE A 58 9.845 -1.844 3.706 1.00 0.00 N ATOM 796 CA ILE A 58 9.606 -0.648 4.504 1.00 0.00 C ATOM 797 C ILE A 58 10.038 0.608 3.754 1.00 0.00 C ATOM 798 O ILE A 58 11.212 0.775 3.427 1.00 0.00 O ATOM 799 CB ILE A 58 10.351 -0.711 5.850 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.822 -1.871 6.696 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.206 0.606 6.597 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.560 -3.171 6.468 1.00 0.00 C ATOM 0 H ILE A 58 10.486 -2.514 4.131 1.00 0.00 H new ATOM 0 HA ILE A 58 8.534 -0.604 4.694 1.00 0.00 H new ATOM 0 HB ILE A 58 11.410 -0.881 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.892 -1.603 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.765 -2.019 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.738 0.546 7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.625 1.413 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.151 0.804 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.131 -3.948 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.468 -3.463 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.613 -3.040 6.717 1.00 0.00 H new ATOM 814 N GLY A 59 9.080 1.490 3.486 1.00 0.00 N ATOM 815 CA GLY A 59 9.381 2.721 2.779 1.00 0.00 C ATOM 816 C GLY A 59 8.454 2.956 1.603 1.00 0.00 C ATOM 817 O GLY A 59 7.851 4.023 1.483 1.00 0.00 O ATOM 0 H GLY A 59 8.101 1.374 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.306 3.561 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.411 2.690 2.425 1.00 0.00 H new ATOM 821 N ASP A 60 8.341 1.959 0.733 1.00 0.00 N ATOM 822 CA ASP A 60 7.481 2.062 -0.440 1.00 0.00 C ATOM 823 C ASP A 60 6.170 2.761 -0.093 1.00 0.00 C ATOM 824 O ASP A 60 5.503 2.404 0.879 1.00 0.00 O ATOM 825 CB ASP A 60 7.196 0.674 -1.014 1.00 0.00 C ATOM 826 CG ASP A 60 8.398 0.085 -1.728 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.260 -0.510 -1.048 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.475 0.220 -2.967 1.00 0.00 O ATOM 0 H ASP A 60 8.834 1.070 0.818 1.00 0.00 H new ATOM 0 HA ASP A 60 8.002 2.657 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.892 0.006 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.359 0.736 -1.709 1.00 0.00 H new ATOM 833 N ARG A 61 5.806 3.758 -0.893 1.00 0.00 N ATOM 834 CA ARG A 61 4.576 4.508 -0.669 1.00 0.00 C ATOM 835 C ARG A 61 3.426 3.920 -1.480 1.00 0.00 C ATOM 836 O ARG A 61 3.476 3.879 -2.710 1.00 0.00 O ATOM 837 CB ARG A 61 4.776 5.979 -1.039 1.00 0.00 C ATOM 838 CG ARG A 61 3.611 6.870 -0.642 1.00 0.00 C ATOM 839 CD ARG A 61 2.559 6.933 -1.738 1.00 0.00 C ATOM 840 NE ARG A 61 1.338 7.597 -1.289 1.00 0.00 N ATOM 841 CZ ARG A 61 0.479 8.190 -2.110 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.705 8.202 -3.416 1.00 0.00 N ATOM 843 NH2 ARG A 61 -0.610 8.773 -1.624 1.00 0.00 N ATOM 0 H ARG A 61 6.346 4.065 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 61 4.325 4.438 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.683 6.346 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.932 6.056 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.160 6.493 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.976 7.875 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.964 7.464 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.321 5.922 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 61 1.134 7.606 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.541 7.755 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.043 8.658 -4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.787 8.766 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.269 9.228 -2.255 1.00 0.00 H new ATOM 857 N LEU A 62 2.389 3.466 -0.784 1.00 0.00 N ATOM 858 CA LEU A 62 1.225 2.880 -1.439 1.00 0.00 C ATOM 859 C LEU A 62 0.272 3.965 -1.929 1.00 0.00 C ATOM 860 O LEU A 62 0.090 4.990 -1.271 1.00 0.00 O ATOM 861 CB LEU A 62 0.495 1.939 -0.479 1.00 0.00 C ATOM 862 CG LEU A 62 -0.952 1.603 -0.840 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.323 0.220 -0.328 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.899 2.653 -0.278 1.00 0.00 C ATOM 0 H LEU A 62 2.331 3.493 0.234 1.00 0.00 H new ATOM 0 HA LEU A 62 1.572 2.311 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.058 1.008 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.506 2.386 0.515 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.044 1.603 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.356 -0.001 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.665 -0.523 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.214 0.192 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.925 2.398 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.804 2.685 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.648 3.629 -0.694 1.00 0.00 H new ATOM 876 N THR A 63 -0.337 3.732 -3.088 1.00 0.00 N ATOM 877 CA THR A 63 -1.273 4.688 -3.665 1.00 0.00 C ATOM 878 C THR A 63 -2.693 4.134 -3.671 1.00 0.00 C ATOM 879 O THR A 63 -3.656 4.866 -3.450 1.00 0.00 O ATOM 880 CB THR A 63 -0.875 5.065 -5.105 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.056 3.940 -5.973 1.00 0.00 O ATOM 882 CG2 THR A 63 0.573 5.529 -5.162 1.00 0.00 C ATOM 0 H THR A 63 -0.198 2.889 -3.645 1.00 0.00 H new ATOM 0 HA THR A 63 -1.237 5.580 -3.040 1.00 0.00 H new ATOM 0 HB THR A 63 -1.515 5.884 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.418 3.236 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.831 5.790 -6.188 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.701 6.402 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.226 4.728 -4.816 1.00 0.00 H new ATOM 890 N ALA A 64 -2.814 2.835 -3.924 1.00 0.00 N ATOM 891 CA ALA A 64 -4.117 2.181 -3.956 1.00 0.00 C ATOM 892 C ALA A 64 -3.978 0.672 -3.782 1.00 0.00 C ATOM 893 O ALA A 64 -2.871 0.135 -3.806 1.00 0.00 O ATOM 894 CB ALA A 64 -4.836 2.501 -5.258 1.00 0.00 C ATOM 0 H ALA A 64 -2.026 2.215 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.709 2.563 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.807 2.006 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.977 3.579 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.240 2.148 -6.099 1.00 0.00 H new ATOM 900 N ILE A 65 -5.108 -0.004 -3.608 1.00 0.00 N ATOM 901 CA ILE A 65 -5.112 -1.451 -3.430 1.00 0.00 C ATOM 902 C ILE A 65 -6.100 -2.119 -4.381 1.00 0.00 C ATOM 903 O ILE A 65 -7.310 -2.082 -4.162 1.00 0.00 O ATOM 904 CB ILE A 65 -5.467 -1.840 -1.983 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.526 -1.142 -0.999 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.400 -3.350 -1.809 1.00 0.00 C ATOM 907 CD1 ILE A 65 -5.032 -1.147 0.427 1.00 0.00 C ATOM 0 H ILE A 65 -6.032 0.427 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.103 -1.799 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.486 -1.515 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.552 -1.630 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.377 -0.111 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.653 -3.609 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.107 -3.826 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.391 -3.698 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.315 -0.636 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.992 -0.633 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.154 -2.176 0.766 1.00 0.00 H new ATOM 919 N ASN A 66 -5.574 -2.730 -5.438 1.00 0.00 N ATOM 920 CA ASN A 66 -6.410 -3.408 -6.422 1.00 0.00 C ATOM 921 C ASN A 66 -7.543 -2.501 -6.891 1.00 0.00 C ATOM 922 O ASN A 66 -8.598 -2.974 -7.310 1.00 0.00 O ATOM 923 CB ASN A 66 -6.985 -4.698 -5.833 1.00 0.00 C ATOM 924 CG ASN A 66 -8.156 -4.438 -4.906 1.00 0.00 C ATOM 925 OD1 ASN A 66 -9.279 -4.208 -5.355 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.899 -4.472 -3.603 1.00 0.00 N ATOM 0 H ASN A 66 -4.574 -2.769 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.787 -3.655 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.305 -5.353 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.203 -5.225 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.648 -4.304 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.953 -4.667 -3.275 1.00 0.00 H new ATOM 933 N GLY A 67 -7.315 -1.193 -6.819 1.00 0.00 N ATOM 934 CA GLY A 67 -8.325 -0.240 -7.239 1.00 0.00 C ATOM 935 C GLY A 67 -8.678 0.751 -6.148 1.00 0.00 C ATOM 936 O GLY A 67 -8.985 1.911 -6.426 1.00 0.00 O ATOM 0 H GLY A 67 -6.449 -0.777 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.967 0.301 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.224 -0.778 -7.542 1.00 0.00 H new ATOM 940 N THR A 68 -8.637 0.294 -4.900 1.00 0.00 N ATOM 941 CA THR A 68 -8.958 1.147 -3.762 1.00 0.00 C ATOM 942 C THR A 68 -7.977 2.308 -3.653 1.00 0.00 C ATOM 943 O THR A 68 -6.869 2.152 -3.140 1.00 0.00 O ATOM 944 CB THR A 68 -8.945 0.352 -2.443 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.708 -0.851 -2.588 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.513 1.185 -1.304 1.00 0.00 C ATOM 0 H THR A 68 -8.385 -0.663 -4.652 1.00 0.00 H new ATOM 0 HA THR A 68 -9.961 1.537 -3.932 1.00 0.00 H new ATOM 0 HB THR A 68 -7.911 0.099 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.169 -1.527 -3.049 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.494 0.603 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.912 2.085 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.541 1.464 -1.535 1.00 0.00 H new ATOM 954 N SER A 69 -8.392 3.475 -4.137 1.00 0.00 N ATOM 955 CA SER A 69 -7.548 4.663 -4.096 1.00 0.00 C ATOM 956 C SER A 69 -7.342 5.134 -2.660 1.00 0.00 C ATOM 957 O SER A 69 -8.302 5.420 -1.944 1.00 0.00 O ATOM 958 CB SER A 69 -8.171 5.786 -4.928 1.00 0.00 C ATOM 959 OG SER A 69 -9.452 6.137 -4.434 1.00 0.00 O ATOM 0 H SER A 69 -9.307 3.623 -4.562 1.00 0.00 H new ATOM 0 HA SER A 69 -6.577 4.403 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.519 6.660 -4.911 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.253 5.470 -5.968 1.00 0.00 H new ATOM 0 HG SER A 69 -9.484 5.979 -3.467 1.00 0.00 H new ATOM 965 N LEU A 70 -6.082 5.211 -2.244 1.00 0.00 N ATOM 966 CA LEU A 70 -5.748 5.647 -0.893 1.00 0.00 C ATOM 967 C LEU A 70 -4.784 6.829 -0.925 1.00 0.00 C ATOM 968 O LEU A 70 -4.069 7.087 0.044 1.00 0.00 O ATOM 969 CB LEU A 70 -5.131 4.492 -0.102 1.00 0.00 C ATOM 970 CG LEU A 70 -5.964 3.212 -0.023 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.164 2.094 0.629 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.256 3.462 0.741 1.00 0.00 C ATOM 0 H LEU A 70 -5.276 4.977 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.668 5.965 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.167 4.247 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.935 4.837 0.913 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.219 2.905 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.773 1.191 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.268 1.897 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.877 2.392 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.836 2.540 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.022 3.794 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.837 4.231 0.232 1.00 0.00 H new ATOM 984 N VAL A 71 -4.771 7.545 -2.044 1.00 0.00 N ATOM 985 CA VAL A 71 -3.898 8.702 -2.201 1.00 0.00 C ATOM 986 C VAL A 71 -4.547 9.961 -1.638 1.00 0.00 C ATOM 987 O VAL A 71 -5.383 10.586 -2.290 1.00 0.00 O ATOM 988 CB VAL A 71 -3.541 8.939 -3.681 1.00 0.00 C ATOM 989 CG1 VAL A 71 -2.639 10.155 -3.825 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.883 7.703 -4.275 1.00 0.00 C ATOM 0 H VAL A 71 -5.355 7.344 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.986 8.488 -1.645 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.461 9.132 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.398 10.306 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.152 11.036 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.720 9.995 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.638 7.888 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.971 7.476 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.568 6.858 -4.207 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.156 10.329 -0.422 1.00 0.00 N ATOM 1001 CA GLY A 72 -4.709 11.513 0.209 1.00 0.00 C ATOM 1002 C GLY A 72 -5.807 11.182 1.200 1.00 0.00 C ATOM 1003 O GLY A 72 -6.722 11.979 1.413 1.00 0.00 O ATOM 0 H GLY A 72 -3.466 9.828 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.913 12.054 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.105 12.179 -0.558 1.00 0.00 H new ATOM 1007 N LEU A 73 -5.720 10.003 1.806 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.715 9.567 2.779 1.00 0.00 C ATOM 1009 C LEU A 73 -6.079 9.350 4.148 1.00 0.00 C ATOM 1010 O LEU A 73 -4.875 9.125 4.272 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.388 8.277 2.307 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.463 8.436 1.230 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.690 7.120 0.504 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.761 8.940 1.844 1.00 0.00 C ATOM 0 H LEU A 73 -4.970 9.332 1.640 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.467 10.351 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.617 7.607 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.837 7.788 3.171 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.118 9.172 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.458 7.253 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.761 6.800 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.014 6.362 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.515 9.047 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.111 8.228 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.588 9.907 2.317 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.906 9.417 5.202 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.447 9.228 6.582 1.00 0.00 C ATOM 1028 C PRO A 74 -6.043 7.785 6.866 1.00 0.00 C ATOM 1029 O PRO A 74 -6.581 6.850 6.270 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.669 9.616 7.418 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.834 9.378 6.521 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.353 9.682 5.129 1.00 0.00 C ATOM 0 HA PRO A 74 -5.558 9.820 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.737 9.013 8.323 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.618 10.658 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.182 8.348 6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.673 10.018 6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.841 9.048 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.559 10.715 4.850 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.094 7.610 7.779 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.619 6.280 8.142 1.00 0.00 C ATOM 1042 C LEU A 75 -5.785 5.309 8.301 1.00 0.00 C ATOM 1043 O LEU A 75 -5.776 4.216 7.735 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.813 6.342 9.441 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.100 5.053 9.851 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.215 4.550 8.721 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.280 5.276 11.114 1.00 0.00 C ATOM 0 H LEU A 75 -4.639 8.372 8.281 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.977 5.919 7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.067 7.131 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.485 6.635 10.248 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.854 4.294 10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.716 3.632 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.827 4.351 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.468 5.306 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.779 4.348 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.535 6.050 10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.938 5.589 11.924 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.787 5.717 9.071 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.962 4.885 9.300 1.00 0.00 C ATOM 1061 C ALA A 76 -8.397 4.184 8.017 1.00 0.00 C ATOM 1062 O ALA A 76 -8.507 2.960 7.975 1.00 0.00 O ATOM 1063 CB ALA A 76 -9.103 5.725 9.857 1.00 0.00 C ATOM 0 H ALA A 76 -6.809 6.619 9.547 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.698 4.120 10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.974 5.091 10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.796 6.175 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.357 6.511 9.146 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.643 4.969 6.973 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.064 4.423 5.689 1.00 0.00 C ATOM 1071 C ALA A 77 -8.172 3.261 5.268 1.00 0.00 C ATOM 1072 O ALA A 77 -8.657 2.165 4.984 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.055 5.511 4.625 1.00 0.00 C ATOM 0 H ALA A 77 -8.558 5.985 6.992 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.081 4.045 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.371 5.089 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.739 6.308 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.048 5.915 4.527 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.867 3.506 5.229 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.907 2.479 4.841 1.00 0.00 C ATOM 1081 C CYS A 78 -5.924 1.317 5.829 1.00 0.00 C ATOM 1082 O CYS A 78 -5.689 0.169 5.454 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.500 3.072 4.757 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.258 4.206 3.369 1.00 0.00 S ATOM 0 H CYS A 78 -6.449 4.407 5.461 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.194 2.102 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.284 3.600 5.686 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.779 2.259 4.678 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.230 4.967 3.604 1.00 0.00 H new ATOM 1090 N GLN A 79 -6.203 1.625 7.091 1.00 0.00 N ATOM 1091 CA GLN A 79 -6.248 0.606 8.133 1.00 0.00 C ATOM 1092 C GLN A 79 -7.519 -0.230 8.023 1.00 0.00 C ATOM 1093 O GLN A 79 -7.580 -1.353 8.521 1.00 0.00 O ATOM 1094 CB GLN A 79 -6.169 1.256 9.516 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.748 1.418 10.031 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.691 1.613 11.534 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.721 1.770 12.190 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.484 1.603 12.087 1.00 0.00 N ATOM 0 H GLN A 79 -6.401 2.571 7.417 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.389 -0.052 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.646 2.235 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.737 0.653 10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.165 0.538 9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.283 2.272 9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.657 1.470 11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.383 1.729 13.094 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.532 0.328 7.368 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.801 -0.367 7.191 1.00 0.00 C ATOM 1109 C ALA A 80 -9.794 -1.208 5.919 1.00 0.00 C ATOM 1110 O ALA A 80 -10.337 -2.313 5.891 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.949 0.631 7.159 1.00 0.00 C ATOM 0 H ALA A 80 -8.499 1.259 6.952 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.940 -1.038 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.891 0.098 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.975 1.186 8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.805 1.325 6.331 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.177 -0.679 4.868 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.099 -1.382 3.594 1.00 0.00 C ATOM 1119 C ALA A 81 -8.043 -2.481 3.638 1.00 0.00 C ATOM 1120 O ALA A 81 -8.269 -3.593 3.158 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.798 -0.403 2.468 1.00 0.00 C ATOM 0 H ALA A 81 -8.724 0.235 4.874 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.065 -1.850 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.743 -0.942 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.590 0.344 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.846 0.091 2.660 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.888 -2.164 4.215 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.798 -3.126 4.322 1.00 0.00 C ATOM 1129 C VAL A 82 -6.238 -4.375 5.077 1.00 0.00 C ATOM 1130 O VAL A 82 -5.692 -5.460 4.875 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.577 -2.513 5.033 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.896 -2.226 6.492 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.373 -3.434 4.914 1.00 0.00 C ATOM 0 H VAL A 82 -6.683 -1.248 4.615 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.518 -3.401 3.305 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.333 -1.568 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.021 -1.793 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.728 -1.524 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.168 -3.154 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.520 -2.985 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.604 -4.395 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.131 -3.583 3.862 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.228 -4.214 5.949 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.741 -5.329 6.736 1.00 0.00 C ATOM 1145 C ARG A 83 -8.752 -6.141 5.933 1.00 0.00 C ATOM 1146 O ARG A 83 -8.854 -7.357 6.095 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.391 -4.816 8.023 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.410 -4.633 9.169 1.00 0.00 C ATOM 1149 CD ARG A 83 -6.812 -5.960 9.609 1.00 0.00 C ATOM 1150 NE ARG A 83 -6.114 -5.850 10.887 1.00 0.00 N ATOM 1151 CZ ARG A 83 -5.503 -6.869 11.480 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -5.503 -8.068 10.914 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -4.889 -6.690 12.643 1.00 0.00 N ATOM 0 H ARG A 83 -7.691 -3.323 6.128 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.902 -5.976 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.880 -3.863 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.170 -5.514 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.612 -3.957 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.917 -4.164 10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.604 -6.705 9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.119 -6.315 8.847 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.095 -4.941 11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.973 -8.210 10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.033 -8.848 11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.886 -5.769 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.420 -7.473 13.098 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.496 -5.461 5.066 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.500 -6.121 4.239 1.00 0.00 C ATOM 1169 C GLU A 84 -9.858 -7.175 3.342 1.00 0.00 C ATOM 1170 O GLU A 84 -10.323 -8.313 3.269 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.244 -5.093 3.385 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.365 -4.383 4.126 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.589 -5.259 4.311 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.642 -5.999 5.315 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.493 -5.203 3.452 1.00 0.00 O ATOM 0 H GLU A 84 -9.423 -4.454 4.918 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.211 -6.616 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.532 -4.351 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.658 -5.592 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.003 -4.060 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.646 -3.484 3.577 1.00 0.00 H new ATOM 1182 N THR A 85 -8.785 -6.788 2.658 1.00 0.00 N ATOM 1183 CA THR A 85 -8.080 -7.697 1.764 1.00 0.00 C ATOM 1184 C THR A 85 -7.804 -9.033 2.444 1.00 0.00 C ATOM 1185 O THR A 85 -7.572 -10.043 1.780 1.00 0.00 O ATOM 1186 CB THR A 85 -6.746 -7.092 1.286 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.859 -6.923 2.397 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.973 -5.752 0.603 1.00 0.00 C ATOM 0 H THR A 85 -8.386 -5.851 2.707 1.00 0.00 H new ATOM 0 HA THR A 85 -8.727 -7.858 0.902 1.00 0.00 H new ATOM 0 HB THR A 85 -6.299 -7.777 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.255 -6.299 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.017 -5.345 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.625 -5.889 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.440 -5.061 1.304 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.830 -9.032 3.772 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.585 -10.244 4.544 1.00 0.00 C ATOM 1198 C LYS A 86 -8.371 -11.421 3.973 1.00 0.00 C ATOM 1199 O LYS A 86 -7.983 -12.577 4.138 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.966 -10.026 6.010 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.795 -11.264 6.874 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.651 -11.193 8.127 1.00 0.00 C ATOM 1203 CE LYS A 86 -8.173 -12.174 9.186 1.00 0.00 C ATOM 1204 NZ LYS A 86 -9.185 -12.369 10.260 1.00 0.00 N ATOM 0 H LYS A 86 -8.019 -8.204 4.337 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.522 -10.475 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.356 -9.221 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.004 -9.698 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.064 -12.150 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.747 -11.371 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.625 -10.180 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.689 -11.408 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.951 -13.133 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.244 -11.810 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.821 -13.045 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.379 -11.459 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.064 -12.740 9.846 1.00 0.00 H new ATOM 1218 N SER A 87 -9.477 -11.117 3.301 1.00 0.00 N ATOM 1219 CA SER A 87 -10.318 -12.150 2.708 1.00 0.00 C ATOM 1220 C SER A 87 -9.770 -12.585 1.352 1.00 0.00 C ATOM 1221 O SER A 87 -9.398 -13.743 1.164 1.00 0.00 O ATOM 1222 CB SER A 87 -11.753 -11.642 2.551 1.00 0.00 C ATOM 1223 OG SER A 87 -12.681 -12.711 2.604 1.00 0.00 O ATOM 0 H SER A 87 -9.811 -10.165 3.154 1.00 0.00 H new ATOM 0 HA SER A 87 -10.316 -13.012 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.976 -10.923 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.854 -11.115 1.602 1.00 0.00 H new ATOM 0 HG SER A 87 -13.590 -12.360 2.503 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.724 -11.647 0.411 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.222 -11.933 -0.928 1.00 0.00 C ATOM 1231 C GLN A 88 -7.824 -12.540 -0.867 1.00 0.00 C ATOM 1232 O GLN A 88 -6.986 -12.117 -0.070 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.201 -10.657 -1.771 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.199 -9.622 -1.283 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.384 -8.272 -1.947 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -8.747 -7.291 -1.296 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -8.136 -8.214 -3.250 1.00 0.00 N ATOM 0 H GLN A 88 -10.028 -10.683 0.551 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.892 -12.656 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.968 -10.917 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.197 -10.215 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.297 -9.508 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.188 -9.982 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.837 -9.051 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.244 -7.332 -3.751 1.00 0.00 H new ATOM 1246 N THR A 89 -7.579 -13.534 -1.715 1.00 0.00 N ATOM 1247 CA THR A 89 -6.283 -14.201 -1.757 1.00 0.00 C ATOM 1248 C THR A 89 -5.342 -13.511 -2.738 1.00 0.00 C ATOM 1249 O THR A 89 -4.230 -13.981 -2.980 1.00 0.00 O ATOM 1250 CB THR A 89 -6.426 -15.682 -2.154 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.309 -15.806 -3.274 1.00 0.00 O ATOM 1252 CG2 THR A 89 -6.956 -16.506 -0.990 1.00 0.00 C ATOM 0 H THR A 89 -8.261 -13.895 -2.382 1.00 0.00 H new ATOM 0 HA THR A 89 -5.864 -14.142 -0.753 1.00 0.00 H new ATOM 0 HB THR A 89 -5.440 -16.059 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.393 -16.751 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.049 -17.548 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.266 -16.433 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.933 -16.127 -0.691 1.00 0.00 H new ATOM 1260 N SER A 90 -5.794 -12.395 -3.300 1.00 0.00 N ATOM 1261 CA SER A 90 -4.993 -11.643 -4.258 1.00 0.00 C ATOM 1262 C SER A 90 -5.031 -10.150 -3.944 1.00 0.00 C ATOM 1263 O SER A 90 -6.096 -9.580 -3.709 1.00 0.00 O ATOM 1264 CB SER A 90 -5.497 -11.889 -5.681 1.00 0.00 C ATOM 1265 OG SER A 90 -5.759 -13.264 -5.899 1.00 0.00 O ATOM 0 H SER A 90 -6.711 -11.991 -3.108 1.00 0.00 H new ATOM 0 HA SER A 90 -3.962 -11.987 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.405 -11.311 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.755 -11.539 -6.399 1.00 0.00 H new ATOM 0 HG SER A 90 -4.959 -13.788 -5.683 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.859 -9.522 -3.942 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.756 -8.096 -3.658 1.00 0.00 C ATOM 1273 C VAL A 91 -2.657 -7.448 -4.491 1.00 0.00 C ATOM 1274 O VAL A 91 -1.495 -7.851 -4.430 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.473 -7.840 -2.166 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -3.282 -6.353 -1.906 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.596 -8.399 -1.307 1.00 0.00 C ATOM 0 H VAL A 91 -2.968 -9.979 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.716 -7.651 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.550 -8.353 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.083 -6.191 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.440 -5.986 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.186 -5.815 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.379 -8.209 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.535 -7.916 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.680 -9.473 -1.472 1.00 0.00 H new ATOM 1287 N THR A 92 -3.030 -6.438 -5.272 1.00 0.00 N ATOM 1288 CA THR A 92 -2.077 -5.734 -6.119 1.00 0.00 C ATOM 1289 C THR A 92 -1.722 -4.372 -5.533 1.00 0.00 C ATOM 1290 O THR A 92 -2.566 -3.479 -5.454 1.00 0.00 O ATOM 1291 CB THR A 92 -2.628 -5.538 -7.544 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.159 -6.773 -8.038 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.540 -5.037 -8.482 1.00 0.00 C ATOM 0 H THR A 92 -3.987 -6.090 -5.335 1.00 0.00 H new ATOM 0 HA THR A 92 -1.180 -6.352 -6.166 1.00 0.00 H new ATOM 0 HB THR A 92 -3.421 -4.792 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.509 -6.640 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.954 -4.906 -9.482 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.158 -4.082 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.728 -5.763 -8.517 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.468 -4.219 -5.122 1.00 0.00 N ATOM 1302 CA LEU A 93 0.000 -2.964 -4.543 1.00 0.00 C ATOM 1303 C LEU A 93 0.565 -2.044 -5.620 1.00 0.00 C ATOM 1304 O LEU A 93 1.351 -2.471 -6.466 1.00 0.00 O ATOM 1305 CB LEU A 93 1.065 -3.237 -3.479 1.00 0.00 C ATOM 1306 CG LEU A 93 0.602 -4.020 -2.250 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.634 -3.928 -1.138 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.749 -3.510 -1.771 1.00 0.00 C ATOM 0 H LEU A 93 0.243 -4.948 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.851 -2.467 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.884 -3.784 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.469 -2.281 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 93 0.494 -5.068 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.287 -4.491 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.581 -4.343 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.776 -2.884 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.063 -4.079 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.667 -2.455 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.486 -3.630 -2.565 1.00 0.00 H new ATOM 1320 N SER A 94 0.160 -0.779 -5.582 1.00 0.00 N ATOM 1321 CA SER A 94 0.625 0.202 -6.556 1.00 0.00 C ATOM 1322 C SER A 94 1.404 1.321 -5.871 1.00 0.00 C ATOM 1323 O SER A 94 0.844 2.099 -5.098 1.00 0.00 O ATOM 1324 CB SER A 94 -0.560 0.788 -7.326 1.00 0.00 C ATOM 1325 OG SER A 94 -0.861 0.007 -8.470 1.00 0.00 O ATOM 0 H SER A 94 -0.489 -0.409 -4.888 1.00 0.00 H new ATOM 0 HA SER A 94 1.290 -0.304 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.433 0.836 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.331 1.810 -7.629 1.00 0.00 H new ATOM 0 HG SER A 94 -1.623 0.401 -8.944 1.00 0.00 H new ATOM 1331 N ILE A 95 2.698 1.395 -6.161 1.00 0.00 N ATOM 1332 CA ILE A 95 3.555 2.418 -5.574 1.00 0.00 C ATOM 1333 C ILE A 95 4.368 3.135 -6.647 1.00 0.00 C ATOM 1334 O ILE A 95 4.295 2.795 -7.828 1.00 0.00 O ATOM 1335 CB ILE A 95 4.517 1.818 -4.532 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.556 0.929 -5.218 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.741 1.027 -3.489 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.804 1.673 -5.640 1.00 0.00 C ATOM 0 H ILE A 95 3.176 0.759 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 95 2.898 3.134 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 95 5.038 2.632 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.835 0.122 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.104 0.467 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.434 0.609 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.036 1.686 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.196 0.218 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.496 0.980 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.537 2.463 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.280 2.113 -4.763 1.00 0.00 H new ATOM 1350 N VAL A 96 5.145 4.129 -6.227 1.00 0.00 N ATOM 1351 CA VAL A 96 5.975 4.893 -7.151 1.00 0.00 C ATOM 1352 C VAL A 96 7.385 4.318 -7.227 1.00 0.00 C ATOM 1353 O VAL A 96 8.163 4.426 -6.279 1.00 0.00 O ATOM 1354 CB VAL A 96 6.058 6.374 -6.737 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.943 7.149 -7.701 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.667 6.986 -6.667 1.00 0.00 C ATOM 0 H VAL A 96 5.217 4.424 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 96 5.504 4.823 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 96 6.506 6.432 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.990 8.193 -7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.947 6.724 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.528 7.086 -8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.744 8.033 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.190 6.918 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.069 6.446 -5.933 1.00 0.00 H new