USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 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 12 GLN : amide:sc= -0.0202 K(o=-0.02,f=-0.64) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0127) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.723 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.012 F(o=-1.1,f=-0.012) USER MOD Single : A 46 ASN : amide:sc= 0.00925 K(o=0.0093,f=-0.96) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.000962 (180deg=-0.0979) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.64! C(o=-2.6!,f=-2.4!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-0.91) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 38:sc= 0.546 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -110:sc= -2.81! USER MOD Single : A 88 SER OG : rot 28:sc= 0.0155 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N VAL A 9 17.628 -5.934 1.566 1.00 0.00 N ATOM 81 CA VAL A 9 17.048 -4.742 2.172 1.00 0.00 C ATOM 82 C VAL A 9 16.027 -5.111 3.243 1.00 0.00 C ATOM 83 O VAL A 9 14.965 -5.656 2.940 1.00 0.00 O ATOM 84 CB VAL A 9 16.370 -3.848 1.117 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.750 -2.624 1.773 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.367 -3.441 0.044 1.00 0.00 C ATOM 0 HA VAL A 9 17.868 -4.190 2.631 1.00 0.00 H new ATOM 0 HB VAL A 9 15.572 -4.418 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.276 -2.004 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.003 -2.940 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.527 -2.049 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.871 -2.810 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.188 -2.889 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.758 -4.333 -0.446 1.00 0.00 H new ATOM 96 N ARG A 10 16.355 -4.810 4.495 1.00 0.00 N ATOM 97 CA ARG A 10 15.467 -5.111 5.611 1.00 0.00 C ATOM 98 C ARG A 10 14.341 -4.085 5.701 1.00 0.00 C ATOM 99 O ARG A 10 14.578 -2.879 5.618 1.00 0.00 O ATOM 100 CB ARG A 10 16.253 -5.139 6.923 1.00 0.00 C ATOM 101 CG ARG A 10 17.120 -6.376 7.087 1.00 0.00 C ATOM 102 CD ARG A 10 16.292 -7.588 7.485 1.00 0.00 C ATOM 103 NE ARG A 10 16.058 -7.642 8.925 1.00 0.00 N ATOM 104 CZ ARG A 10 15.064 -8.325 9.483 1.00 0.00 C ATOM 105 NH1 ARG A 10 14.217 -9.008 8.726 1.00 0.00 N ATOM 106 NH2 ARG A 10 14.917 -8.326 10.802 1.00 0.00 N ATOM 0 H ARG A 10 17.229 -4.358 4.762 1.00 0.00 H new ATOM 0 HA ARG A 10 15.027 -6.093 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.885 -4.253 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.554 -5.083 7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.643 -6.582 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.882 -6.190 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.335 -7.561 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.803 -8.497 7.166 1.00 0.00 H new ATOM 0 HE ARG A 10 16.692 -7.127 9.536 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.327 -9.010 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.455 -9.531 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.567 -7.802 11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.154 -8.850 11.230 1.00 0.00 H new ATOM 120 N PHE A 11 13.116 -4.571 5.872 1.00 0.00 N ATOM 121 CA PHE A 11 11.954 -3.697 5.973 1.00 0.00 C ATOM 122 C PHE A 11 11.919 -2.991 7.325 1.00 0.00 C ATOM 123 O PHE A 11 11.345 -3.499 8.287 1.00 0.00 O ATOM 124 CB PHE A 11 10.667 -4.499 5.771 1.00 0.00 C ATOM 125 CG PHE A 11 10.228 -4.579 4.337 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.785 -3.447 3.670 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.260 -5.784 3.655 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.380 -3.518 2.351 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.857 -5.861 2.335 1.00 0.00 C ATOM 130 CZ PHE A 11 9.417 -4.726 1.682 1.00 0.00 C ATOM 0 H PHE A 11 12.903 -5.566 5.944 1.00 0.00 H new ATOM 0 HA PHE A 11 12.030 -2.942 5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.814 -5.509 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.870 -4.047 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.756 -2.499 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.604 -6.674 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.035 -2.630 1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.886 -6.807 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.103 -4.783 0.650 1.00 0.00 H new ATOM 140 N GLN A 12 12.539 -1.816 7.388 1.00 0.00 N ATOM 141 CA GLN A 12 12.581 -1.041 8.622 1.00 0.00 C ATOM 142 C GLN A 12 11.178 -0.622 9.049 1.00 0.00 C ATOM 143 O GLN A 12 10.781 -0.828 10.196 1.00 0.00 O ATOM 144 CB GLN A 12 13.463 0.196 8.443 1.00 0.00 C ATOM 145 CG GLN A 12 13.528 1.081 9.677 1.00 0.00 C ATOM 146 CD GLN A 12 14.446 0.524 10.747 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.534 0.029 10.451 1.00 0.00 O ATOM 148 NE2 GLN A 12 14.013 0.602 11.999 1.00 0.00 N ATOM 0 H GLN A 12 13.018 -1.381 6.600 1.00 0.00 H new ATOM 0 HA GLN A 12 13.006 -1.671 9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.472 -0.122 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.086 0.782 7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 12 13.872 2.074 9.389 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.526 1.198 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.105 1.020 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.589 0.244 12.761 1.00 0.00 H new ATOM 157 N GLU A 13 10.433 -0.032 8.120 1.00 0.00 N ATOM 158 CA GLU A 13 9.074 0.417 8.402 1.00 0.00 C ATOM 159 C GLU A 13 8.110 -0.052 7.316 1.00 0.00 C ATOM 160 O GLU A 13 7.551 0.757 6.576 1.00 0.00 O ATOM 161 CB GLU A 13 9.031 1.942 8.514 1.00 0.00 C ATOM 162 CG GLU A 13 7.922 2.455 9.417 1.00 0.00 C ATOM 163 CD GLU A 13 8.286 2.382 10.887 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.982 3.298 11.372 1.00 0.00 O ATOM 165 OE2 GLU A 13 7.875 1.408 11.552 1.00 0.00 O ATOM 0 H GLU A 13 10.747 0.146 7.166 1.00 0.00 H new ATOM 0 HA GLU A 13 8.764 -0.019 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.990 2.297 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.904 2.368 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.693 3.488 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.017 1.873 9.241 1.00 0.00 H new ATOM 172 N ALA A 14 7.921 -1.365 7.228 1.00 0.00 N ATOM 173 CA ALA A 14 7.023 -1.942 6.235 1.00 0.00 C ATOM 174 C ALA A 14 5.607 -1.398 6.393 1.00 0.00 C ATOM 175 O ALA A 14 5.303 -0.702 7.362 1.00 0.00 O ATOM 176 CB ALA A 14 7.023 -3.460 6.343 1.00 0.00 C ATOM 0 H ALA A 14 8.378 -2.049 7.832 1.00 0.00 H new ATOM 0 HA ALA A 14 7.384 -1.659 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.348 -3.878 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.031 -3.837 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.689 -3.754 7.338 1.00 0.00 H new ATOM 182 N LEU A 15 4.745 -1.720 5.434 1.00 0.00 N ATOM 183 CA LEU A 15 3.360 -1.263 5.466 1.00 0.00 C ATOM 184 C LEU A 15 2.807 -1.301 6.887 1.00 0.00 C ATOM 185 O LEU A 15 3.175 -2.162 7.686 1.00 0.00 O ATOM 186 CB LEU A 15 2.496 -2.127 4.547 1.00 0.00 C ATOM 187 CG LEU A 15 2.892 -2.140 3.070 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.193 -3.276 2.339 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.566 -0.804 2.419 1.00 0.00 C ATOM 0 H LEU A 15 4.981 -2.295 4.625 1.00 0.00 H new ATOM 0 HA LEU A 15 3.335 -0.232 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.519 -3.152 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.464 -1.784 4.623 1.00 0.00 H new ATOM 0 HG LEU A 15 3.968 -2.301 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.487 -3.269 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.477 -4.227 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.113 -3.147 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.854 -0.831 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.496 -0.613 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.114 -0.009 2.925 1.00 0.00 H new ATOM 201 N LYS A 16 1.919 -0.362 7.196 1.00 0.00 N ATOM 202 CA LYS A 16 1.310 -0.289 8.519 1.00 0.00 C ATOM 203 C LYS A 16 -0.211 -0.251 8.417 1.00 0.00 C ATOM 204 O LYS A 16 -0.765 -0.047 7.337 1.00 0.00 O ATOM 205 CB LYS A 16 1.813 0.948 9.266 1.00 0.00 C ATOM 206 CG LYS A 16 1.461 2.257 8.582 1.00 0.00 C ATOM 207 CD LYS A 16 2.398 3.376 9.004 1.00 0.00 C ATOM 208 CE LYS A 16 1.939 4.030 10.298 1.00 0.00 C ATOM 209 NZ LYS A 16 0.794 4.956 10.077 1.00 0.00 N ATOM 0 H LYS A 16 1.605 0.360 6.547 1.00 0.00 H new ATOM 0 HA LYS A 16 1.596 -1.183 9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.394 0.950 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.896 0.883 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.510 2.128 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.434 2.530 8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.405 2.979 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.449 4.126 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.649 3.259 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.770 4.579 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.566 5.445 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.049 5.657 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.034 4.414 9.758 1.00 0.00 H new ATOM 223 N ASP A 17 -0.880 -0.447 9.548 1.00 0.00 N ATOM 224 CA ASP A 17 -2.338 -0.432 9.586 1.00 0.00 C ATOM 225 C ASP A 17 -2.865 0.996 9.681 1.00 0.00 C ATOM 226 O ASP A 17 -2.525 1.734 10.607 1.00 0.00 O ATOM 227 CB ASP A 17 -2.847 -1.256 10.770 1.00 0.00 C ATOM 228 CG ASP A 17 -2.101 -2.567 10.926 1.00 0.00 C ATOM 229 OD1 ASP A 17 -2.531 -3.571 10.320 1.00 0.00 O ATOM 230 OD2 ASP A 17 -1.086 -2.589 11.653 1.00 0.00 O ATOM 0 H ASP A 17 -0.436 -0.618 10.450 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.705 -0.875 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.746 -0.673 11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.910 -1.459 10.637 1.00 0.00 H new ATOM 235 N LEU A 18 -3.695 1.381 8.718 1.00 0.00 N ATOM 236 CA LEU A 18 -4.268 2.722 8.692 1.00 0.00 C ATOM 237 C LEU A 18 -5.778 2.673 8.904 1.00 0.00 C ATOM 238 O LEU A 18 -6.386 1.604 8.854 1.00 0.00 O ATOM 239 CB LEU A 18 -3.951 3.408 7.362 1.00 0.00 C ATOM 240 CG LEU A 18 -2.485 3.386 6.929 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.186 2.136 6.117 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.146 4.637 6.130 1.00 0.00 C ATOM 0 H LEU A 18 -3.986 0.783 7.945 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.823 3.296 9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.547 2.935 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.275 4.447 7.426 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.863 3.370 7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.138 2.138 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.389 1.252 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.817 2.120 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.099 4.604 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.776 4.684 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.320 5.520 6.745 1.00 0.00 H new ATOM 254 N GLU A 19 -6.375 3.837 9.140 1.00 0.00 N ATOM 255 CA GLU A 19 -7.814 3.926 9.358 1.00 0.00 C ATOM 256 C GLU A 19 -8.410 5.101 8.589 1.00 0.00 C ATOM 257 O GLU A 19 -8.137 6.261 8.897 1.00 0.00 O ATOM 258 CB GLU A 19 -8.118 4.073 10.851 1.00 0.00 C ATOM 259 CG GLU A 19 -8.305 2.746 11.567 1.00 0.00 C ATOM 260 CD GLU A 19 -7.901 2.809 13.027 1.00 0.00 C ATOM 261 OE1 GLU A 19 -7.081 3.683 13.379 1.00 0.00 O ATOM 262 OE2 GLU A 19 -8.406 1.985 13.818 1.00 0.00 O ATOM 0 H GLU A 19 -5.885 4.730 9.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.268 3.006 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.305 4.622 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.020 4.672 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.350 2.443 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.716 1.980 11.064 1.00 0.00 H new ATOM 269 N VAL A 20 -9.225 4.792 7.585 1.00 0.00 N ATOM 270 CA VAL A 20 -9.860 5.821 6.771 1.00 0.00 C ATOM 271 C VAL A 20 -11.360 5.579 6.651 1.00 0.00 C ATOM 272 O VAL A 20 -11.820 4.437 6.680 1.00 0.00 O ATOM 273 CB VAL A 20 -9.246 5.879 5.359 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.696 7.137 4.632 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.728 5.811 5.436 1.00 0.00 C ATOM 0 H VAL A 20 -9.461 3.837 7.316 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.687 6.773 7.274 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.597 5.017 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.252 7.160 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.783 7.138 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.376 8.015 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.310 5.853 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.355 6.653 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.429 4.878 5.914 1.00 0.00 H new ATOM 285 N LEU A 21 -12.119 6.661 6.517 1.00 0.00 N ATOM 286 CA LEU A 21 -13.570 6.567 6.392 1.00 0.00 C ATOM 287 C LEU A 21 -13.974 6.263 4.953 1.00 0.00 C ATOM 288 O LEU A 21 -13.292 6.663 4.010 1.00 0.00 O ATOM 289 CB LEU A 21 -14.226 7.869 6.854 1.00 0.00 C ATOM 290 CG LEU A 21 -15.729 7.803 7.129 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.989 7.432 8.581 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.393 9.128 6.788 1.00 0.00 C ATOM 0 H LEU A 21 -11.754 7.613 6.492 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.913 5.749 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.725 8.202 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.049 8.631 6.095 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.162 7.030 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.064 7.390 8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.548 6.458 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.542 8.182 9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.462 9.062 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.957 9.921 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.236 9.353 5.733 1.00 0.00 H new ATOM 304 N GLU A 22 -15.088 5.555 4.794 1.00 0.00 N ATOM 305 CA GLU A 22 -15.583 5.199 3.469 1.00 0.00 C ATOM 306 C GLU A 22 -15.744 6.441 2.597 1.00 0.00 C ATOM 307 O GLU A 22 -16.090 7.516 3.086 1.00 0.00 O ATOM 308 CB GLU A 22 -16.920 4.464 3.581 1.00 0.00 C ATOM 309 CG GLU A 22 -17.614 4.257 2.245 1.00 0.00 C ATOM 310 CD GLU A 22 -18.891 3.449 2.370 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.898 2.467 3.142 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.883 3.798 1.697 1.00 0.00 O ATOM 0 H GLU A 22 -15.664 5.217 5.565 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.852 4.540 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.754 3.494 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.580 5.027 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.844 5.227 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.933 3.750 1.561 1.00 0.00 H new ATOM 319 N GLY A 23 -15.490 6.284 1.301 1.00 0.00 N ATOM 320 CA GLY A 23 -15.612 7.400 0.381 1.00 0.00 C ATOM 321 C GLY A 23 -14.397 8.306 0.405 1.00 0.00 C ATOM 322 O GLY A 23 -14.460 9.453 -0.035 1.00 0.00 O ATOM 0 H GLY A 23 -15.202 5.404 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.758 7.019 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.499 7.980 0.634 1.00 0.00 H new ATOM 326 N GLY A 24 -13.285 7.790 0.921 1.00 0.00 N ATOM 327 CA GLY A 24 -12.067 8.574 0.993 1.00 0.00 C ATOM 328 C GLY A 24 -10.939 7.969 0.181 1.00 0.00 C ATOM 329 O GLY A 24 -11.167 7.415 -0.894 1.00 0.00 O ATOM 0 H GLY A 24 -13.207 6.842 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.267 9.584 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.755 8.661 2.034 1.00 0.00 H new ATOM 333 N ALA A 25 -9.718 8.077 0.695 1.00 0.00 N ATOM 334 CA ALA A 25 -8.550 7.535 0.010 1.00 0.00 C ATOM 335 C ALA A 25 -7.565 6.928 1.002 1.00 0.00 C ATOM 336 O ALA A 25 -7.389 7.438 2.109 1.00 0.00 O ATOM 337 CB ALA A 25 -7.872 8.620 -0.814 1.00 0.00 C ATOM 0 H ALA A 25 -9.512 8.535 1.583 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.886 6.743 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.002 8.202 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.572 9.005 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.556 9.431 -0.158 1.00 0.00 H new ATOM 343 N ALA A 26 -6.924 5.836 0.600 1.00 0.00 N ATOM 344 CA ALA A 26 -5.955 5.160 1.453 1.00 0.00 C ATOM 345 C ALA A 26 -4.541 5.307 0.902 1.00 0.00 C ATOM 346 O ALA A 26 -4.272 4.964 -0.249 1.00 0.00 O ATOM 347 CB ALA A 26 -6.316 3.689 1.599 1.00 0.00 C ATOM 0 H ALA A 26 -7.059 5.400 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.984 5.630 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.584 3.196 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.306 3.600 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.317 3.215 0.617 1.00 0.00 H new ATOM 353 N THR A 27 -3.638 5.822 1.732 1.00 0.00 N ATOM 354 CA THR A 27 -2.252 6.017 1.327 1.00 0.00 C ATOM 355 C THR A 27 -1.320 5.083 2.090 1.00 0.00 C ATOM 356 O THR A 27 -1.009 5.317 3.258 1.00 0.00 O ATOM 357 CB THR A 27 -1.800 7.472 1.553 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.597 8.361 0.763 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.332 7.645 1.194 1.00 0.00 C ATOM 0 H THR A 27 -3.843 6.111 2.688 1.00 0.00 H new ATOM 0 HA THR A 27 -2.199 5.789 0.262 1.00 0.00 H new ATOM 0 HB THR A 27 -1.930 7.709 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.304 9.284 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.036 8.681 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.275 6.988 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.181 7.390 0.145 1.00 0.00 H new ATOM 367 N LEU A 28 -0.876 4.023 1.422 1.00 0.00 N ATOM 368 CA LEU A 28 0.023 3.053 2.038 1.00 0.00 C ATOM 369 C LEU A 28 1.475 3.354 1.682 1.00 0.00 C ATOM 370 O LEU A 28 1.856 3.329 0.511 1.00 0.00 O ATOM 371 CB LEU A 28 -0.341 1.636 1.591 1.00 0.00 C ATOM 372 CG LEU A 28 -1.600 1.037 2.218 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.827 1.388 1.391 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.461 -0.472 2.355 1.00 0.00 C ATOM 0 H LEU A 28 -1.124 3.814 0.455 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.089 3.126 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.465 1.639 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.500 0.979 1.814 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.725 1.462 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.713 0.953 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.937 2.471 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.712 0.991 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.366 -0.882 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.311 -0.915 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.606 -0.702 2.990 1.00 0.00 H new ATOM 386 N ARG A 29 2.283 3.635 2.699 1.00 0.00 N ATOM 387 CA ARG A 29 3.693 3.940 2.494 1.00 0.00 C ATOM 388 C ARG A 29 4.566 3.156 3.470 1.00 0.00 C ATOM 389 O ARG A 29 4.161 2.885 4.601 1.00 0.00 O ATOM 390 CB ARG A 29 3.943 5.440 2.660 1.00 0.00 C ATOM 391 CG ARG A 29 3.418 6.003 3.970 1.00 0.00 C ATOM 392 CD ARG A 29 4.251 7.185 4.442 1.00 0.00 C ATOM 393 NE ARG A 29 4.226 7.327 5.895 1.00 0.00 N ATOM 394 CZ ARG A 29 3.242 7.925 6.558 1.00 0.00 C ATOM 395 NH1 ARG A 29 2.209 8.434 5.901 1.00 0.00 N ATOM 396 NH2 ARG A 29 3.290 8.015 7.881 1.00 0.00 N ATOM 0 H ARG A 29 1.984 3.658 3.674 1.00 0.00 H new ATOM 0 HA ARG A 29 3.958 3.646 1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.014 5.631 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.474 5.972 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.381 6.314 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.426 5.223 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.281 7.059 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.876 8.099 3.982 1.00 0.00 H new ATOM 0 HE ARG A 29 5.006 6.946 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.168 8.367 4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.455 8.892 6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.083 7.625 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.534 8.474 8.389 1.00 0.00 H new ATOM 410 N CYS A 30 5.765 2.796 3.025 1.00 0.00 N ATOM 411 CA CYS A 30 6.695 2.043 3.859 1.00 0.00 C ATOM 412 C CYS A 30 8.138 2.427 3.548 1.00 0.00 C ATOM 413 O CYS A 30 8.495 2.656 2.393 1.00 0.00 O ATOM 414 CB CYS A 30 6.498 0.540 3.650 1.00 0.00 C ATOM 415 SG CYS A 30 6.321 0.053 1.918 1.00 0.00 S ATOM 0 H CYS A 30 6.116 3.013 2.092 1.00 0.00 H new ATOM 0 HA CYS A 30 6.490 2.288 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.347 0.010 4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.612 0.221 4.198 1.00 0.00 H new ATOM 0 HG CYS A 30 6.162 -1.235 1.844 1.00 0.00 H new ATOM 421 N VAL A 31 8.963 2.497 4.588 1.00 0.00 N ATOM 422 CA VAL A 31 10.368 2.854 4.426 1.00 0.00 C ATOM 423 C VAL A 31 11.264 1.627 4.549 1.00 0.00 C ATOM 424 O VAL A 31 10.977 0.710 5.319 1.00 0.00 O ATOM 425 CB VAL A 31 10.804 3.902 5.468 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.265 4.274 5.272 1.00 0.00 C ATOM 427 CG2 VAL A 31 9.916 5.135 5.386 1.00 0.00 C ATOM 0 H VAL A 31 8.683 2.311 5.551 1.00 0.00 H new ATOM 0 HA VAL A 31 10.474 3.279 3.428 1.00 0.00 H new ATOM 0 HB VAL A 31 10.695 3.468 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.555 5.015 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.885 3.385 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.404 4.689 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.238 5.865 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.992 5.572 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.881 4.852 5.580 1.00 0.00 H new ATOM 437 N LEU A 32 12.352 1.618 3.787 1.00 0.00 N ATOM 438 CA LEU A 32 13.293 0.503 3.810 1.00 0.00 C ATOM 439 C LEU A 32 14.670 0.963 4.278 1.00 0.00 C ATOM 440 O LEU A 32 15.035 2.128 4.115 1.00 0.00 O ATOM 441 CB LEU A 32 13.399 -0.130 2.422 1.00 0.00 C ATOM 442 CG LEU A 32 12.098 -0.681 1.835 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.373 0.395 1.042 1.00 0.00 C ATOM 444 CD2 LEU A 32 12.380 -1.893 0.959 1.00 0.00 C ATOM 0 H LEU A 32 12.605 2.370 3.146 1.00 0.00 H new ATOM 0 HA LEU A 32 12.920 -0.241 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.798 0.615 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.125 -0.941 2.469 1.00 0.00 H new ATOM 0 HG LEU A 32 11.454 -0.994 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.450 -0.015 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.138 1.234 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.011 0.739 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.444 -2.272 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.043 -1.606 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.856 -2.671 1.556 1.00 0.00 H new ATOM 456 N SER A 33 15.431 0.041 4.858 1.00 0.00 N ATOM 457 CA SER A 33 16.768 0.352 5.350 1.00 0.00 C ATOM 458 C SER A 33 17.586 1.073 4.283 1.00 0.00 C ATOM 459 O SER A 33 18.318 2.017 4.579 1.00 0.00 O ATOM 460 CB SER A 33 17.487 -0.928 5.782 1.00 0.00 C ATOM 461 OG SER A 33 17.837 -1.719 4.659 1.00 0.00 O ATOM 0 H SER A 33 15.145 -0.928 4.999 1.00 0.00 H new ATOM 0 HA SER A 33 16.666 1.011 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.385 -0.673 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.845 -1.502 6.450 1.00 0.00 H new ATOM 0 HG SER A 33 18.297 -2.530 4.961 1.00 0.00 H new ATOM 467 N SER A 34 17.456 0.619 3.040 1.00 0.00 N ATOM 468 CA SER A 34 18.186 1.217 1.928 1.00 0.00 C ATOM 469 C SER A 34 17.226 1.689 0.840 1.00 0.00 C ATOM 470 O SER A 34 16.016 1.484 0.932 1.00 0.00 O ATOM 471 CB SER A 34 19.181 0.213 1.345 1.00 0.00 C ATOM 472 OG SER A 34 20.308 0.062 2.191 1.00 0.00 O ATOM 0 H SER A 34 16.852 -0.160 2.778 1.00 0.00 H new ATOM 0 HA SER A 34 18.732 2.081 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.692 -0.752 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.504 0.547 0.359 1.00 0.00 H new ATOM 0 HG SER A 34 20.928 -0.586 1.797 1.00 0.00 H new ATOM 478 N VAL A 35 17.776 2.324 -0.190 1.00 0.00 N ATOM 479 CA VAL A 35 16.970 2.825 -1.297 1.00 0.00 C ATOM 480 C VAL A 35 17.135 1.952 -2.536 1.00 0.00 C ATOM 481 O VAL A 35 17.951 2.245 -3.410 1.00 0.00 O ATOM 482 CB VAL A 35 17.344 4.277 -1.652 1.00 0.00 C ATOM 483 CG1 VAL A 35 16.499 4.778 -2.813 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.185 5.179 -0.438 1.00 0.00 C ATOM 0 H VAL A 35 18.776 2.504 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 35 15.930 2.795 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 35 18.390 4.300 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.778 5.805 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 16.668 4.146 -3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 35 15.445 4.742 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.453 6.201 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.150 5.153 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.838 4.831 0.362 1.00 0.00 H new ATOM 494 N ALA A 36 16.354 0.879 -2.606 1.00 0.00 N ATOM 495 CA ALA A 36 16.412 -0.035 -3.739 1.00 0.00 C ATOM 496 C ALA A 36 15.186 0.120 -4.633 1.00 0.00 C ATOM 497 O ALA A 36 14.079 0.355 -4.149 1.00 0.00 O ATOM 498 CB ALA A 36 16.534 -1.472 -3.253 1.00 0.00 C ATOM 0 H ALA A 36 15.674 0.622 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 36 17.294 0.214 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.576 -2.144 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.443 -1.580 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.670 -1.723 -2.638 1.00 0.00 H new ATOM 504 N ALA A 37 15.391 -0.012 -5.939 1.00 0.00 N ATOM 505 CA ALA A 37 14.302 0.113 -6.900 1.00 0.00 C ATOM 506 C ALA A 37 14.732 -0.366 -8.283 1.00 0.00 C ATOM 507 O ALA A 37 15.916 -0.566 -8.556 1.00 0.00 O ATOM 508 CB ALA A 37 13.817 1.553 -6.965 1.00 0.00 C ATOM 0 H ALA A 37 16.301 -0.206 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 37 13.481 -0.520 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.004 1.631 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.461 1.862 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.638 2.200 -7.273 1.00 0.00 H new ATOM 514 N PRO A 38 13.750 -0.553 -9.177 1.00 0.00 N ATOM 515 CA PRO A 38 12.338 -0.318 -8.863 1.00 0.00 C ATOM 516 C PRO A 38 11.781 -1.350 -7.888 1.00 0.00 C ATOM 517 O PRO A 38 12.482 -2.278 -7.483 1.00 0.00 O ATOM 518 CB PRO A 38 11.647 -0.440 -10.223 1.00 0.00 C ATOM 519 CG PRO A 38 12.546 -1.314 -11.028 1.00 0.00 C ATOM 520 CD PRO A 38 13.943 -1.011 -10.563 1.00 0.00 C ATOM 0 HA PRO A 38 12.184 0.645 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.654 -0.878 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.520 0.536 -10.692 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.304 -2.366 -10.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.437 -1.111 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.582 -1.893 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.414 -0.244 -11.178 1.00 0.00 H new ATOM 528 N VAL A 39 10.516 -1.183 -7.515 1.00 0.00 N ATOM 529 CA VAL A 39 9.865 -2.101 -6.589 1.00 0.00 C ATOM 530 C VAL A 39 8.713 -2.838 -7.264 1.00 0.00 C ATOM 531 O VAL A 39 8.343 -2.529 -8.397 1.00 0.00 O ATOM 532 CB VAL A 39 9.329 -1.362 -5.349 1.00 0.00 C ATOM 533 CG1 VAL A 39 10.465 -0.675 -4.605 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.259 -0.357 -5.749 1.00 0.00 C ATOM 0 H VAL A 39 9.922 -0.420 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 39 10.620 -2.822 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 39 8.876 -2.093 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.068 -0.158 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.194 -1.420 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.949 0.046 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.891 0.156 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.684 0.372 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.434 -0.878 -6.235 1.00 0.00 H new ATOM 544 N LYS A 40 8.149 -3.814 -6.561 1.00 0.00 N ATOM 545 CA LYS A 40 7.038 -4.595 -7.090 1.00 0.00 C ATOM 546 C LYS A 40 5.825 -4.509 -6.169 1.00 0.00 C ATOM 547 O LYS A 40 5.890 -4.902 -5.004 1.00 0.00 O ATOM 548 CB LYS A 40 7.454 -6.057 -7.269 1.00 0.00 C ATOM 549 CG LYS A 40 6.302 -6.977 -7.635 1.00 0.00 C ATOM 550 CD LYS A 40 6.777 -8.165 -8.456 1.00 0.00 C ATOM 551 CE LYS A 40 5.814 -9.337 -8.347 1.00 0.00 C ATOM 552 NZ LYS A 40 6.302 -10.527 -9.099 1.00 0.00 N ATOM 0 H LYS A 40 8.444 -4.083 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 40 6.765 -4.180 -8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.216 -6.117 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.912 -6.411 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.816 -7.332 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.555 -6.419 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.877 -7.870 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.766 -8.472 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.679 -9.600 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.837 -9.041 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.618 -11.304 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.406 -10.283 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.223 -10.825 -8.718 1.00 0.00 H new ATOM 566 N TRP A 41 4.721 -3.996 -6.698 1.00 0.00 N ATOM 567 CA TRP A 41 3.493 -3.861 -5.923 1.00 0.00 C ATOM 568 C TRP A 41 2.441 -4.861 -6.390 1.00 0.00 C ATOM 569 O TRP A 41 2.009 -4.829 -7.543 1.00 0.00 O ATOM 570 CB TRP A 41 2.947 -2.437 -6.038 1.00 0.00 C ATOM 571 CG TRP A 41 3.471 -1.512 -4.982 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.631 -0.793 -5.025 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.855 -1.209 -3.726 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.774 -0.061 -3.870 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.697 -0.298 -3.058 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.673 -1.616 -3.101 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.393 0.209 -1.797 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.373 -1.113 -1.849 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.230 -0.207 -1.209 1.00 0.00 C ATOM 0 H TRP A 41 4.650 -3.666 -7.661 1.00 0.00 H new ATOM 0 HA TRP A 41 3.727 -4.070 -4.879 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.201 -2.037 -7.020 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.859 -2.467 -5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.333 -0.798 -5.846 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.555 0.558 -3.653 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.006 -2.312 -3.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.052 0.906 -1.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.464 -1.423 -1.356 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.967 0.170 -0.232 1.00 0.00 H new ATOM 590 N CYS A 42 2.033 -5.748 -5.489 1.00 0.00 N ATOM 591 CA CYS A 42 1.031 -6.758 -5.810 1.00 0.00 C ATOM 592 C CYS A 42 0.056 -6.944 -4.652 1.00 0.00 C ATOM 593 O CYS A 42 0.404 -6.719 -3.492 1.00 0.00 O ATOM 594 CB CYS A 42 1.708 -8.089 -6.142 1.00 0.00 C ATOM 595 SG CYS A 42 2.404 -8.941 -4.707 1.00 0.00 S ATOM 0 H CYS A 42 2.381 -5.788 -4.531 1.00 0.00 H new ATOM 0 HA CYS A 42 0.471 -6.416 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.981 -8.744 -6.623 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.503 -7.909 -6.866 1.00 0.00 H new ATOM 0 HG CYS A 42 2.952 -10.056 -5.088 1.00 0.00 H new ATOM 601 N TYR A 43 -1.165 -7.355 -4.974 1.00 0.00 N ATOM 602 CA TYR A 43 -2.192 -7.568 -3.961 1.00 0.00 C ATOM 603 C TYR A 43 -2.909 -8.896 -4.182 1.00 0.00 C ATOM 604 O TYR A 43 -3.735 -9.026 -5.085 1.00 0.00 O ATOM 605 CB TYR A 43 -3.203 -6.420 -3.981 1.00 0.00 C ATOM 606 CG TYR A 43 -4.221 -6.490 -2.865 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.203 -7.473 -2.856 1.00 0.00 C ATOM 608 CD2 TYR A 43 -4.201 -5.573 -1.822 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.136 -7.541 -1.839 1.00 0.00 C ATOM 610 CE2 TYR A 43 -5.129 -5.634 -0.800 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.094 -6.619 -0.813 1.00 0.00 C ATOM 612 OH TYR A 43 -7.021 -6.683 0.202 1.00 0.00 O ATOM 0 H TYR A 43 -1.468 -7.547 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.704 -7.598 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.667 -5.473 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.725 -6.423 -4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.238 -8.196 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.448 -4.799 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.893 -8.311 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.099 -4.914 0.005 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.852 -5.963 0.845 1.00 0.00 H new ATOM 622 N GLY A 44 -2.586 -9.881 -3.350 1.00 0.00 N ATOM 623 CA GLY A 44 -3.208 -11.187 -3.469 1.00 0.00 C ATOM 624 C GLY A 44 -2.710 -11.958 -4.676 1.00 0.00 C ATOM 625 O GLY A 44 -1.729 -12.695 -4.587 1.00 0.00 O ATOM 0 H GLY A 44 -1.905 -9.798 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.010 -11.764 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.289 -11.066 -3.539 1.00 0.00 H new ATOM 629 N ASN A 45 -3.389 -11.789 -5.806 1.00 0.00 N ATOM 630 CA ASN A 45 -3.010 -12.477 -7.035 1.00 0.00 C ATOM 631 C ASN A 45 -2.665 -11.476 -8.134 1.00 0.00 C ATOM 632 O ASN A 45 -1.556 -11.484 -8.667 1.00 0.00 O ATOM 633 CB ASN A 45 -4.144 -13.392 -7.501 1.00 0.00 C ATOM 634 CG ASN A 45 -3.648 -14.528 -8.375 1.00 0.00 C ATOM 635 OD1 ASN A 45 -3.052 -14.183 -9.511 1.00 0.00 O flip ATOM 636 ND2 ASN A 45 -3.799 -15.701 -8.033 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.204 -11.182 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.126 -13.081 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.656 -13.803 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.877 -12.805 -8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.263 -15.919 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.460 -16.454 -8.631 1.00 0.00 H new ATOM 643 N ASN A 46 -3.622 -10.616 -8.466 1.00 0.00 N ATOM 644 CA ASN A 46 -3.419 -9.610 -9.502 1.00 0.00 C ATOM 645 C ASN A 46 -2.325 -8.626 -9.097 1.00 0.00 C ATOM 646 O ASN A 46 -2.229 -8.231 -7.935 1.00 0.00 O ATOM 647 CB ASN A 46 -4.723 -8.856 -9.772 1.00 0.00 C ATOM 648 CG ASN A 46 -5.259 -8.165 -8.534 1.00 0.00 C ATOM 649 OD1 ASN A 46 -5.876 -8.795 -7.675 1.00 0.00 O ATOM 650 ND2 ASN A 46 -5.025 -6.861 -8.436 1.00 0.00 N ATOM 0 H ASN A 46 -4.545 -10.595 -8.033 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.106 -10.120 -10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.556 -8.116 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.471 -9.554 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.361 -6.342 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.509 -6.379 -9.172 1.00 0.00 H new ATOM 657 N VAL A 47 -1.502 -8.233 -10.064 1.00 0.00 N ATOM 658 CA VAL A 47 -0.416 -7.294 -9.810 1.00 0.00 C ATOM 659 C VAL A 47 -0.916 -5.854 -9.839 1.00 0.00 C ATOM 660 O VAL A 47 -1.786 -5.504 -10.637 1.00 0.00 O ATOM 661 CB VAL A 47 0.716 -7.454 -10.841 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.841 -6.471 -10.555 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.235 -8.884 -10.845 1.00 0.00 C ATOM 0 H VAL A 47 -1.567 -8.551 -11.031 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.028 -7.520 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 47 0.316 -7.234 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.632 -6.599 -11.294 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.456 -5.452 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.242 -6.657 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.035 -8.979 -11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.619 -9.134 -9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.424 -9.565 -11.102 1.00 0.00 H new ATOM 673 N LEU A 48 -0.361 -5.023 -8.964 1.00 0.00 N ATOM 674 CA LEU A 48 -0.750 -3.619 -8.889 1.00 0.00 C ATOM 675 C LEU A 48 0.101 -2.768 -9.826 1.00 0.00 C ATOM 676 O LEU A 48 1.322 -2.912 -9.874 1.00 0.00 O ATOM 677 CB LEU A 48 -0.615 -3.108 -7.453 1.00 0.00 C ATOM 678 CG LEU A 48 -1.328 -3.931 -6.379 1.00 0.00 C ATOM 679 CD1 LEU A 48 -0.589 -3.830 -5.053 1.00 0.00 C ATOM 680 CD2 LEU A 48 -2.770 -3.470 -6.224 1.00 0.00 C ATOM 0 H LEU A 48 0.360 -5.297 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.792 -3.539 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.445 -3.062 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.997 -2.088 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.333 -4.975 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.110 -4.421 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.426 -4.208 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.553 -2.788 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.262 -4.066 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.787 -2.419 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.295 -3.593 -7.171 1.00 0.00 H new ATOM 692 N ARG A 49 -0.553 -1.880 -10.567 1.00 0.00 N ATOM 693 CA ARG A 49 0.143 -1.004 -11.502 1.00 0.00 C ATOM 694 C ARG A 49 -0.390 0.423 -11.410 1.00 0.00 C ATOM 695 O ARG A 49 -1.576 0.655 -11.178 1.00 0.00 O ATOM 696 CB ARG A 49 -0.009 -1.526 -12.932 1.00 0.00 C ATOM 697 CG ARG A 49 0.594 -2.905 -13.145 1.00 0.00 C ATOM 698 CD ARG A 49 0.454 -3.357 -14.590 1.00 0.00 C ATOM 699 NE ARG A 49 1.529 -2.840 -15.432 1.00 0.00 N ATOM 700 CZ ARG A 49 1.725 -3.220 -16.689 1.00 0.00 C ATOM 701 NH1 ARG A 49 0.922 -4.116 -17.247 1.00 0.00 N ATOM 702 NH2 ARG A 49 2.725 -2.703 -17.392 1.00 0.00 N ATOM 0 H ARG A 49 -1.564 -1.748 -10.538 1.00 0.00 H new ATOM 0 HA ARG A 49 1.200 -0.996 -11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.068 -1.559 -13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.463 -0.823 -13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.648 -2.889 -12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.103 -3.623 -12.489 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.454 -4.446 -14.631 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.506 -3.023 -14.983 1.00 0.00 H new ATOM 0 HE ARG A 49 2.164 -2.149 -15.033 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.152 -4.515 -16.710 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.075 -4.406 -18.213 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.344 -2.013 -16.967 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.874 -2.996 -18.358 1.00 0.00 H new ATOM 716 N PRO A 50 0.507 1.403 -11.596 1.00 0.00 N ATOM 717 CA PRO A 50 0.151 2.823 -11.539 1.00 0.00 C ATOM 718 C PRO A 50 -0.710 3.253 -12.722 1.00 0.00 C ATOM 719 O PRO A 50 -0.529 2.774 -13.841 1.00 0.00 O ATOM 720 CB PRO A 50 1.507 3.531 -11.580 1.00 0.00 C ATOM 721 CG PRO A 50 2.415 2.571 -12.267 1.00 0.00 C ATOM 722 CD PRO A 50 1.938 1.199 -11.878 1.00 0.00 C ATOM 0 HA PRO A 50 -0.442 3.059 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.445 4.474 -12.122 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.863 3.763 -10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.379 2.705 -13.348 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.450 2.726 -11.961 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.091 0.478 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.470 0.821 -11.005 1.00 0.00 H new ATOM 730 N GLY A 51 -1.648 4.160 -12.467 1.00 0.00 N ATOM 731 CA GLY A 51 -2.523 4.639 -13.522 1.00 0.00 C ATOM 732 C GLY A 51 -3.412 5.779 -13.064 1.00 0.00 C ATOM 733 O GLY A 51 -2.925 6.789 -12.556 1.00 0.00 O ATOM 0 H GLY A 51 -1.818 4.572 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.920 4.969 -14.368 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.145 3.817 -13.876 1.00 0.00 H new ATOM 737 N ASP A 52 -4.718 5.619 -13.248 1.00 0.00 N ATOM 738 CA ASP A 52 -5.677 6.643 -12.851 1.00 0.00 C ATOM 739 C ASP A 52 -6.308 6.305 -11.504 1.00 0.00 C ATOM 740 O ASP A 52 -6.281 7.110 -10.573 1.00 0.00 O ATOM 741 CB ASP A 52 -6.765 6.793 -13.915 1.00 0.00 C ATOM 742 CG ASP A 52 -6.345 7.709 -15.048 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.263 8.934 -14.820 1.00 0.00 O ATOM 744 OD2 ASP A 52 -6.100 7.201 -16.162 1.00 0.00 O ATOM 0 H ASP A 52 -5.137 4.790 -13.670 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.142 7.588 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.012 5.811 -14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.671 7.185 -13.452 1.00 0.00 H new ATOM 749 N LYS A 53 -6.876 5.107 -11.407 1.00 0.00 N ATOM 750 CA LYS A 53 -7.515 4.660 -10.175 1.00 0.00 C ATOM 751 C LYS A 53 -6.495 4.539 -9.047 1.00 0.00 C ATOM 752 O LYS A 53 -6.842 4.640 -7.870 1.00 0.00 O ATOM 753 CB LYS A 53 -8.209 3.315 -10.396 1.00 0.00 C ATOM 754 CG LYS A 53 -9.401 3.089 -9.482 1.00 0.00 C ATOM 755 CD LYS A 53 -8.972 2.549 -8.128 1.00 0.00 C ATOM 756 CE LYS A 53 -10.091 1.766 -7.459 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.337 2.574 -7.337 1.00 0.00 N ATOM 0 H LYS A 53 -6.907 4.428 -12.168 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.260 5.403 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.540 3.252 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.487 2.513 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.939 4.027 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.093 2.389 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.100 1.906 -8.251 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.670 3.376 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.298 0.864 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.768 1.445 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.017 2.073 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.112 3.498 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.753 2.716 -8.280 1.00 0.00 H new ATOM 771 N TYR A 54 -5.237 4.324 -9.414 1.00 0.00 N ATOM 772 CA TYR A 54 -4.167 4.189 -8.432 1.00 0.00 C ATOM 773 C TYR A 54 -3.097 5.256 -8.642 1.00 0.00 C ATOM 774 O TYR A 54 -3.205 6.091 -9.540 1.00 0.00 O ATOM 775 CB TYR A 54 -3.539 2.797 -8.520 1.00 0.00 C ATOM 776 CG TYR A 54 -4.203 1.775 -7.625 1.00 0.00 C ATOM 777 CD1 TYR A 54 -5.586 1.724 -7.503 1.00 0.00 C ATOM 778 CD2 TYR A 54 -3.447 0.861 -6.902 1.00 0.00 C ATOM 779 CE1 TYR A 54 -6.197 0.793 -6.686 1.00 0.00 C ATOM 780 CE2 TYR A 54 -4.050 -0.075 -6.083 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.425 -0.105 -5.978 1.00 0.00 C ATOM 782 OH TYR A 54 -6.030 -1.035 -5.164 1.00 0.00 O ATOM 0 H TYR A 54 -4.933 4.239 -10.384 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.599 4.324 -7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.588 2.450 -9.552 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.483 2.867 -8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.194 2.424 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.370 0.882 -6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.273 0.768 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.448 -0.779 -5.528 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.345 -1.592 -4.738 1.00 0.00 H new ATOM 792 N SER A 55 -2.064 5.221 -7.806 1.00 0.00 N ATOM 793 CA SER A 55 -0.974 6.186 -7.896 1.00 0.00 C ATOM 794 C SER A 55 0.214 5.745 -7.047 1.00 0.00 C ATOM 795 O SER A 55 0.172 5.811 -5.818 1.00 0.00 O ATOM 796 CB SER A 55 -1.451 7.568 -7.447 1.00 0.00 C ATOM 797 OG SER A 55 -0.620 8.590 -7.970 1.00 0.00 O ATOM 0 H SER A 55 -1.959 4.535 -7.059 1.00 0.00 H new ATOM 0 HA SER A 55 -0.654 6.240 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.478 7.726 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.454 7.619 -6.358 1.00 0.00 H new ATOM 0 HG SER A 55 -0.947 9.464 -7.670 1.00 0.00 H new ATOM 803 N LEU A 56 1.273 5.294 -7.711 1.00 0.00 N ATOM 804 CA LEU A 56 2.474 4.842 -7.019 1.00 0.00 C ATOM 805 C LEU A 56 3.619 5.831 -7.213 1.00 0.00 C ATOM 806 O LEU A 56 3.903 6.255 -8.333 1.00 0.00 O ATOM 807 CB LEU A 56 2.888 3.459 -7.526 1.00 0.00 C ATOM 808 CG LEU A 56 1.992 2.294 -7.104 1.00 0.00 C ATOM 809 CD1 LEU A 56 0.863 2.099 -8.105 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.809 1.017 -6.964 1.00 0.00 C ATOM 0 H LEU A 56 1.324 5.232 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 56 2.249 4.780 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.923 3.489 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.901 3.256 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 56 1.554 2.530 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.236 1.266 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.262 3.007 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.282 1.885 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.156 0.198 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.275 0.777 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.582 1.161 -6.209 1.00 0.00 H new ATOM 822 N ARG A 57 4.275 6.191 -6.114 1.00 0.00 N ATOM 823 CA ARG A 57 5.390 7.129 -6.163 1.00 0.00 C ATOM 824 C ARG A 57 6.491 6.716 -5.192 1.00 0.00 C ATOM 825 O ARG A 57 6.217 6.162 -4.128 1.00 0.00 O ATOM 826 CB ARG A 57 4.909 8.544 -5.834 1.00 0.00 C ATOM 827 CG ARG A 57 6.036 9.556 -5.707 1.00 0.00 C ATOM 828 CD ARG A 57 6.442 10.111 -7.063 1.00 0.00 C ATOM 829 NE ARG A 57 5.615 11.247 -7.460 1.00 0.00 N ATOM 830 CZ ARG A 57 5.749 12.467 -6.951 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.674 12.707 -6.031 1.00 0.00 N ATOM 832 NH2 ARG A 57 4.959 13.450 -7.363 1.00 0.00 N ATOM 0 H ARG A 57 4.053 5.847 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 57 5.798 7.117 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.221 8.875 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.347 8.520 -4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.721 10.373 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.897 9.085 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.487 10.418 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.363 9.325 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 57 4.895 11.096 -8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.284 11.954 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.775 13.644 -5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.248 13.270 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.063 14.386 -6.971 1.00 0.00 H new ATOM 846 N GLN A 58 7.737 6.988 -5.567 1.00 0.00 N ATOM 847 CA GLN A 58 8.879 6.643 -4.729 1.00 0.00 C ATOM 848 C GLN A 58 9.602 7.898 -4.250 1.00 0.00 C ATOM 849 O GLN A 58 10.072 8.700 -5.056 1.00 0.00 O ATOM 850 CB GLN A 58 9.849 5.744 -5.497 1.00 0.00 C ATOM 851 CG GLN A 58 11.068 5.332 -4.688 1.00 0.00 C ATOM 852 CD GLN A 58 11.653 4.010 -5.145 1.00 0.00 C ATOM 853 OE1 GLN A 58 11.239 3.454 -6.163 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.621 3.500 -4.394 1.00 0.00 N ATOM 0 H GLN A 58 7.981 7.446 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 58 8.508 6.104 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.320 4.848 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.179 6.264 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.830 6.108 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.793 5.259 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.933 3.995 -3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.053 2.613 -4.652 1.00 0.00 H new ATOM 863 N GLU A 59 9.686 8.060 -2.933 1.00 0.00 N ATOM 864 CA GLU A 59 10.350 9.219 -2.348 1.00 0.00 C ATOM 865 C GLU A 59 11.531 8.789 -1.482 1.00 0.00 C ATOM 866 O GLU A 59 11.427 8.725 -0.258 1.00 0.00 O ATOM 867 CB GLU A 59 9.361 10.034 -1.512 1.00 0.00 C ATOM 868 CG GLU A 59 9.744 11.497 -1.371 1.00 0.00 C ATOM 869 CD GLU A 59 9.964 12.174 -2.710 1.00 0.00 C ATOM 870 OE1 GLU A 59 9.232 11.847 -3.668 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.868 13.031 -2.800 1.00 0.00 O ATOM 0 H GLU A 59 9.303 7.404 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 59 10.724 9.840 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.373 9.968 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.285 9.590 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.960 12.023 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.653 11.575 -0.775 1.00 0.00 H new ATOM 878 N GLY A 60 12.655 8.493 -2.129 1.00 0.00 N ATOM 879 CA GLY A 60 13.839 8.072 -1.403 1.00 0.00 C ATOM 880 C GLY A 60 13.535 7.018 -0.358 1.00 0.00 C ATOM 881 O GLY A 60 13.169 7.343 0.772 1.00 0.00 O ATOM 0 H GLY A 60 12.766 8.537 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.573 7.680 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.292 8.938 -0.920 1.00 0.00 H new ATOM 885 N ALA A 61 13.684 5.753 -0.734 1.00 0.00 N ATOM 886 CA ALA A 61 13.423 4.648 0.180 1.00 0.00 C ATOM 887 C ALA A 61 12.065 4.804 0.856 1.00 0.00 C ATOM 888 O ALA A 61 11.903 4.468 2.029 1.00 0.00 O ATOM 889 CB ALA A 61 14.526 4.554 1.223 1.00 0.00 C ATOM 0 H ALA A 61 13.984 5.467 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 61 13.407 3.725 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.318 3.724 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.482 4.387 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.569 5.483 1.791 1.00 0.00 H new ATOM 895 N MET A 62 11.093 5.316 0.109 1.00 0.00 N ATOM 896 CA MET A 62 9.748 5.516 0.637 1.00 0.00 C ATOM 897 C MET A 62 8.697 5.227 -0.430 1.00 0.00 C ATOM 898 O MET A 62 8.657 5.884 -1.471 1.00 0.00 O ATOM 899 CB MET A 62 9.588 6.947 1.153 1.00 0.00 C ATOM 900 CG MET A 62 8.397 7.129 2.080 1.00 0.00 C ATOM 901 SD MET A 62 8.515 8.626 3.078 1.00 0.00 S ATOM 902 CE MET A 62 7.169 9.593 2.399 1.00 0.00 C ATOM 0 H MET A 62 11.211 5.600 -0.864 1.00 0.00 H new ATOM 0 HA MET A 62 9.601 4.821 1.464 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.496 7.238 1.680 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.483 7.621 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.483 7.163 1.488 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.318 6.264 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.113 10.551 2.915 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.343 9.763 1.336 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.231 9.054 2.531 1.00 0.00 H new ATOM 912 N LEU A 63 7.847 4.241 -0.165 1.00 0.00 N ATOM 913 CA LEU A 63 6.794 3.865 -1.102 1.00 0.00 C ATOM 914 C LEU A 63 5.486 4.574 -0.766 1.00 0.00 C ATOM 915 O LEU A 63 5.284 5.019 0.363 1.00 0.00 O ATOM 916 CB LEU A 63 6.586 2.350 -1.085 1.00 0.00 C ATOM 917 CG LEU A 63 7.717 1.510 -1.679 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.204 2.118 -2.986 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.865 1.383 -0.688 1.00 0.00 C ATOM 0 H LEU A 63 7.866 3.687 0.691 1.00 0.00 H new ATOM 0 HA LEU A 63 7.105 4.171 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.431 2.036 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.668 2.123 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 63 7.331 0.512 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.009 1.507 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.380 2.156 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.572 3.127 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.661 0.782 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.250 2.374 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.508 0.902 0.223 1.00 0.00 H new ATOM 931 N GLU A 64 4.601 4.672 -1.752 1.00 0.00 N ATOM 932 CA GLU A 64 3.312 5.325 -1.559 1.00 0.00 C ATOM 933 C GLU A 64 2.269 4.767 -2.524 1.00 0.00 C ATOM 934 O GLU A 64 2.468 4.770 -3.740 1.00 0.00 O ATOM 935 CB GLU A 64 3.446 6.836 -1.754 1.00 0.00 C ATOM 936 CG GLU A 64 2.439 7.645 -0.954 1.00 0.00 C ATOM 937 CD GLU A 64 2.729 9.133 -0.986 1.00 0.00 C ATOM 938 OE1 GLU A 64 2.950 9.671 -2.091 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.735 9.760 0.094 1.00 0.00 O ATOM 0 H GLU A 64 4.753 4.308 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 64 2.982 5.126 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.453 7.142 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.328 7.069 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.439 7.465 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.441 7.300 0.080 1.00 0.00 H new ATOM 946 N LEU A 65 1.159 4.289 -1.975 1.00 0.00 N ATOM 947 CA LEU A 65 0.084 3.727 -2.786 1.00 0.00 C ATOM 948 C LEU A 65 -1.245 4.407 -2.475 1.00 0.00 C ATOM 949 O LEU A 65 -1.839 4.181 -1.420 1.00 0.00 O ATOM 950 CB LEU A 65 -0.031 2.221 -2.543 1.00 0.00 C ATOM 951 CG LEU A 65 -1.237 1.529 -3.179 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.153 1.599 -4.696 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.328 0.083 -2.715 1.00 0.00 C ATOM 0 H LEU A 65 0.979 4.279 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 65 0.324 3.902 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.875 1.743 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.064 2.048 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.140 2.049 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.019 1.102 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.137 2.642 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.243 1.104 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.192 -0.394 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.422 -0.449 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.435 0.055 -1.631 1.00 0.00 H new ATOM 965 N VAL A 66 -1.709 5.241 -3.401 1.00 0.00 N ATOM 966 CA VAL A 66 -2.970 5.951 -3.227 1.00 0.00 C ATOM 967 C VAL A 66 -4.130 5.168 -3.832 1.00 0.00 C ATOM 968 O VAL A 66 -4.053 4.702 -4.968 1.00 0.00 O ATOM 969 CB VAL A 66 -2.919 7.350 -3.871 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.213 8.106 -3.609 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.721 8.131 -3.352 1.00 0.00 C ATOM 0 H VAL A 66 -1.230 5.441 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.128 6.058 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.808 7.231 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.159 9.092 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.050 7.552 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.358 8.217 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.700 9.117 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.800 8.242 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.804 7.595 -3.596 1.00 0.00 H new ATOM 981 N VAL A 67 -5.205 5.026 -3.063 1.00 0.00 N ATOM 982 CA VAL A 67 -6.383 4.301 -3.523 1.00 0.00 C ATOM 983 C VAL A 67 -7.652 5.117 -3.303 1.00 0.00 C ATOM 984 O VAL A 67 -8.034 5.395 -2.166 1.00 0.00 O ATOM 985 CB VAL A 67 -6.525 2.947 -2.801 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.807 2.247 -3.226 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.313 2.069 -3.074 1.00 0.00 C ATOM 0 H VAL A 67 -5.284 5.404 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.249 4.124 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.578 3.131 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.890 1.293 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.664 2.873 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.787 2.073 -4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.430 1.117 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.226 1.891 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.413 2.569 -2.715 1.00 0.00 H new ATOM 997 N ARG A 68 -8.301 5.497 -4.398 1.00 0.00 N ATOM 998 CA ARG A 68 -9.527 6.283 -4.326 1.00 0.00 C ATOM 999 C ARG A 68 -10.754 5.375 -4.297 1.00 0.00 C ATOM 1000 O ARG A 68 -10.643 4.161 -4.464 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.617 7.240 -5.515 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.376 8.099 -5.700 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.433 9.351 -4.838 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.485 10.267 -5.271 1.00 0.00 N ATOM 1005 CZ ARG A 68 -9.770 11.405 -4.650 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -9.085 11.767 -3.573 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -10.742 12.185 -5.104 1.00 0.00 N ATOM 0 H ARG A 68 -7.998 5.273 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.502 6.863 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.788 6.662 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.482 7.890 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.489 7.519 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.280 8.381 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.604 9.068 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.470 9.861 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.031 10.019 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.337 11.170 -3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.306 12.642 -3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.272 11.911 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.960 13.059 -4.626 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.921 5.972 -4.083 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.168 5.218 -4.031 1.00 0.00 C ATOM 1023 C ASN A 69 -13.071 4.075 -3.024 1.00 0.00 C ATOM 1024 O ASN A 69 -13.366 2.923 -3.345 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.512 4.664 -5.415 1.00 0.00 C ATOM 1026 CG ASN A 69 -15.007 4.522 -5.627 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.713 5.510 -5.829 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.496 3.289 -5.580 1.00 0.00 N ATOM 0 H ASN A 69 -12.030 6.976 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.960 5.895 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.101 5.323 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.036 3.692 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.495 3.131 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.873 2.499 -5.410 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.656 4.402 -1.805 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.521 3.404 -0.750 1.00 0.00 C ATOM 1037 C LEU A 70 -13.863 2.747 -0.447 1.00 0.00 C ATOM 1038 O LEU A 70 -14.905 3.402 -0.468 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.957 4.048 0.518 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.433 4.076 0.636 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.004 4.942 1.811 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.883 2.665 0.783 1.00 0.00 C ATOM 0 H LEU A 70 -12.407 5.350 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.832 2.634 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.325 5.073 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.358 3.516 1.381 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.025 4.510 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.916 4.950 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.366 5.960 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.422 4.538 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.797 2.705 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.299 2.204 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.159 2.074 -0.090 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.829 1.449 -0.162 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.043 0.703 0.147 1.00 0.00 C ATOM 1056 C ARG A 71 -14.800 -0.285 1.284 1.00 0.00 C ATOM 1057 O ARG A 71 -13.685 -0.762 1.497 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.538 -0.043 -1.094 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.782 0.861 -2.291 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.115 1.584 -2.181 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.245 0.662 -2.239 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.483 0.992 -1.887 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.747 2.217 -1.453 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -20.458 0.097 -1.968 1.00 0.00 N ATOM 0 H ARG A 71 -12.974 0.893 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.806 1.414 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.806 -0.803 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.463 -0.565 -0.849 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.976 1.591 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.763 0.268 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.149 2.140 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.200 2.312 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.075 -0.288 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.999 2.908 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.698 2.469 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.258 -0.846 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.408 0.352 -1.697 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.867 -0.600 2.033 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.794 -1.533 3.161 1.00 0.00 C ATOM 1080 C PRO A 72 -15.564 -2.971 2.710 1.00 0.00 C ATOM 1081 O PRO A 72 -15.361 -3.864 3.532 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.166 -1.394 3.826 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.070 -0.931 2.736 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.226 -0.069 1.837 1.00 0.00 C ATOM 0 HA PRO A 72 -14.959 -1.306 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.502 -2.344 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.137 -0.678 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.486 -1.777 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.911 -0.368 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.541 -0.145 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.290 0.983 2.113 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.598 -3.188 1.399 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.393 -4.519 0.839 1.00 0.00 C ATOM 1094 C GLN A 73 -13.952 -4.698 0.373 1.00 0.00 C ATOM 1095 O GLN A 73 -13.460 -5.820 0.265 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.353 -4.757 -0.328 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.814 -4.541 0.031 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.760 -5.234 -0.929 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.353 -5.693 -1.997 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -20.031 -5.316 -0.553 1.00 0.00 N ATOM 0 H GLN A 73 -15.766 -2.460 0.705 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.595 -5.250 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.087 -4.090 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.224 -5.776 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.994 -4.909 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.028 -3.472 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -20.325 -4.922 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -20.713 -5.773 -1.158 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.282 -3.584 0.099 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.896 -3.618 -0.355 1.00 0.00 C ATOM 1111 C ASP A 74 -10.965 -4.051 0.773 1.00 0.00 C ATOM 1112 O ASP A 74 -9.984 -4.758 0.545 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.476 -2.244 -0.881 1.00 0.00 C ATOM 1114 CG ASP A 74 -9.973 -2.048 -0.851 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -9.299 -2.482 -1.808 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.471 -1.460 0.130 1.00 0.00 O ATOM 0 H ASP A 74 -13.676 -2.647 0.183 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.822 -4.346 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.835 -2.124 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.953 -1.468 -0.283 1.00 0.00 H new ATOM 1121 N SER A 75 -11.279 -3.620 1.991 1.00 0.00 N ATOM 1122 CA SER A 75 -10.468 -3.960 3.154 1.00 0.00 C ATOM 1123 C SER A 75 -9.936 -5.385 3.048 1.00 0.00 C ATOM 1124 O SER A 75 -10.678 -6.316 2.739 1.00 0.00 O ATOM 1125 CB SER A 75 -11.288 -3.803 4.437 1.00 0.00 C ATOM 1126 OG SER A 75 -11.539 -2.437 4.718 1.00 0.00 O ATOM 0 H SER A 75 -12.089 -3.035 2.198 1.00 0.00 H new ATOM 0 HA SER A 75 -9.620 -3.276 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.233 -4.336 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.754 -4.257 5.272 1.00 0.00 H new ATOM 0 HG SER A 75 -12.066 -2.364 5.541 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.641 -5.548 3.307 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.030 -6.862 3.235 1.00 0.00 C ATOM 1134 C GLY A 76 -6.621 -6.877 3.794 1.00 0.00 C ATOM 1135 O GLY A 76 -6.346 -6.257 4.821 1.00 0.00 O ATOM 0 H GLY A 76 -8.005 -4.793 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.644 -7.575 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.009 -7.193 2.197 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.725 -7.589 3.117 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.338 -7.684 3.553 1.00 0.00 C ATOM 1141 C ARG A 77 -3.384 -7.323 2.418 1.00 0.00 C ATOM 1142 O ARG A 77 -3.343 -7.999 1.390 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.035 -9.097 4.057 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.671 -9.230 4.714 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.500 -10.591 5.371 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.681 -11.685 4.420 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.757 -12.054 3.540 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -0.593 -11.420 3.491 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -1.995 -13.059 2.708 1.00 0.00 N ATOM 0 H ARG A 77 -5.936 -8.108 2.265 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.191 -6.975 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.803 -9.391 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.095 -9.793 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.890 -9.084 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.548 -8.446 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.507 -10.657 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.219 -10.694 6.183 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.565 -12.193 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.406 -10.647 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.115 -11.705 2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.889 -13.550 2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.285 -13.341 2.033 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.621 -6.253 2.611 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.671 -5.800 1.603 1.00 0.00 C ATOM 1165 C TYR A 78 -0.313 -6.469 1.794 1.00 0.00 C ATOM 1166 O TYR A 78 -0.005 -6.976 2.872 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.515 -4.279 1.665 1.00 0.00 C ATOM 1168 CG TYR A 78 -2.765 -3.526 1.270 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.916 -3.593 2.046 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -2.795 -2.746 0.120 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.060 -2.907 1.688 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.934 -2.055 -0.245 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.064 -2.139 0.542 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.202 -1.453 0.182 1.00 0.00 O ATOM 0 H TYR A 78 -2.642 -5.683 3.457 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.059 -6.079 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.233 -3.992 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.698 -3.979 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.916 -4.192 2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.912 -2.679 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.946 -2.971 2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.940 -1.452 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.038 -0.960 -0.649 1.00 0.00 H new ATOM 1184 N SER A 79 0.494 -6.467 0.738 1.00 0.00 N ATOM 1185 CA SER A 79 1.818 -7.076 0.786 1.00 0.00 C ATOM 1186 C SER A 79 2.699 -6.552 -0.344 1.00 0.00 C ATOM 1187 O SER A 79 2.204 -6.164 -1.403 1.00 0.00 O ATOM 1188 CB SER A 79 1.705 -8.599 0.695 1.00 0.00 C ATOM 1189 OG SER A 79 1.099 -8.994 -0.524 1.00 0.00 O ATOM 0 H SER A 79 0.254 -6.050 -0.162 1.00 0.00 H new ATOM 0 HA SER A 79 2.279 -6.809 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.696 -9.046 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.119 -8.974 1.534 1.00 0.00 H new ATOM 0 HG SER A 79 1.040 -9.972 -0.558 1.00 0.00 H new ATOM 1195 N CYS A 80 4.007 -6.543 -0.110 1.00 0.00 N ATOM 1196 CA CYS A 80 4.958 -6.065 -1.106 1.00 0.00 C ATOM 1197 C CYS A 80 6.170 -6.988 -1.187 1.00 0.00 C ATOM 1198 O CYS A 80 6.725 -7.392 -0.166 1.00 0.00 O ATOM 1199 CB CYS A 80 5.408 -4.642 -0.772 1.00 0.00 C ATOM 1200 SG CYS A 80 6.613 -3.957 -1.933 1.00 0.00 S ATOM 0 H CYS A 80 4.432 -6.861 0.761 1.00 0.00 H new ATOM 0 HA CYS A 80 4.460 -6.062 -2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.533 -3.992 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.839 -4.634 0.229 1.00 0.00 H new ATOM 0 HG CYS A 80 6.318 -4.339 -3.140 1.00 0.00 H new ATOM 1206 N SER A 81 6.574 -7.320 -2.410 1.00 0.00 N ATOM 1207 CA SER A 81 7.716 -8.201 -2.625 1.00 0.00 C ATOM 1208 C SER A 81 8.903 -7.423 -3.185 1.00 0.00 C ATOM 1209 O SER A 81 8.833 -6.863 -4.279 1.00 0.00 O ATOM 1210 CB SER A 81 7.339 -9.336 -3.578 1.00 0.00 C ATOM 1211 OG SER A 81 6.377 -10.196 -2.993 1.00 0.00 O ATOM 0 H SER A 81 6.127 -6.992 -3.266 1.00 0.00 H new ATOM 0 HA SER A 81 8.003 -8.625 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.944 -8.920 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.230 -9.907 -3.839 1.00 0.00 H new ATOM 0 HG SER A 81 6.152 -10.912 -3.623 1.00 0.00 H new ATOM 1217 N PHE A 82 9.994 -7.393 -2.426 1.00 0.00 N ATOM 1218 CA PHE A 82 11.197 -6.684 -2.844 1.00 0.00 C ATOM 1219 C PHE A 82 12.400 -7.114 -2.010 1.00 0.00 C ATOM 1220 O PHE A 82 12.284 -7.349 -0.808 1.00 0.00 O ATOM 1221 CB PHE A 82 10.992 -5.172 -2.723 1.00 0.00 C ATOM 1222 CG PHE A 82 11.979 -4.368 -3.519 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.209 -4.654 -4.855 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.678 -3.325 -2.931 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.116 -3.915 -5.591 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.586 -2.583 -3.662 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.807 -2.879 -4.993 1.00 0.00 C ATOM 0 H PHE A 82 10.069 -7.852 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 82 11.392 -6.935 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.983 -4.923 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.065 -4.886 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.673 -5.464 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.511 -3.090 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.284 -4.147 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.123 -1.772 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.518 -2.302 -5.565 1.00 0.00 H new ATOM 1237 N GLY A 83 13.557 -7.216 -2.659 1.00 0.00 N ATOM 1238 CA GLY A 83 14.764 -7.619 -1.962 1.00 0.00 C ATOM 1239 C GLY A 83 14.618 -8.964 -1.278 1.00 0.00 C ATOM 1240 O GLY A 83 15.222 -9.205 -0.233 1.00 0.00 O ATOM 0 H GLY A 83 13.679 -7.027 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.591 -7.663 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.020 -6.863 -1.219 1.00 0.00 H new ATOM 1244 N ASP A 84 13.814 -9.841 -1.868 1.00 0.00 N ATOM 1245 CA ASP A 84 13.589 -11.169 -1.308 1.00 0.00 C ATOM 1246 C ASP A 84 12.845 -11.080 0.020 1.00 0.00 C ATOM 1247 O ASP A 84 12.965 -11.962 0.870 1.00 0.00 O ATOM 1248 CB ASP A 84 14.921 -11.895 -1.113 1.00 0.00 C ATOM 1249 CG ASP A 84 15.773 -11.889 -2.367 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.199 -11.955 -3.474 1.00 0.00 O ATOM 1251 OD2 ASP A 84 17.014 -11.818 -2.241 1.00 0.00 O ATOM 0 H ASP A 84 13.307 -9.657 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 84 12.975 -11.733 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.473 -11.423 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.729 -12.925 -0.812 1.00 0.00 H new ATOM 1256 N GLN A 85 12.077 -10.009 0.192 1.00 0.00 N ATOM 1257 CA GLN A 85 11.315 -9.804 1.418 1.00 0.00 C ATOM 1258 C GLN A 85 9.817 -9.794 1.133 1.00 0.00 C ATOM 1259 O GLN A 85 9.391 -9.568 0.000 1.00 0.00 O ATOM 1260 CB GLN A 85 11.727 -8.492 2.087 1.00 0.00 C ATOM 1261 CG GLN A 85 13.079 -8.560 2.780 1.00 0.00 C ATOM 1262 CD GLN A 85 12.971 -9.000 4.227 1.00 0.00 C ATOM 1263 OE1 GLN A 85 11.891 -8.975 4.817 1.00 0.00 O ATOM 1264 NE2 GLN A 85 14.094 -9.408 4.807 1.00 0.00 N ATOM 0 H GLN A 85 11.966 -9.270 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 85 11.533 -10.632 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.753 -7.703 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.968 -8.212 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.725 -9.253 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.555 -7.580 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.968 -9.412 4.280 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.083 -9.717 5.779 1.00 0.00 H new ATOM 1273 N THR A 86 9.020 -10.042 2.168 1.00 0.00 N ATOM 1274 CA THR A 86 7.570 -10.063 2.029 1.00 0.00 C ATOM 1275 C THR A 86 6.890 -9.486 3.265 1.00 0.00 C ATOM 1276 O THR A 86 6.904 -10.095 4.336 1.00 0.00 O ATOM 1277 CB THR A 86 7.049 -11.493 1.791 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.741 -12.089 0.688 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.554 -11.485 1.514 1.00 0.00 C ATOM 0 H THR A 86 9.355 -10.231 3.112 1.00 0.00 H new ATOM 0 HA THR A 86 7.327 -9.447 1.163 1.00 0.00 H new ATOM 0 HB THR A 86 7.232 -12.078 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.405 -12.998 0.544 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.209 -12.506 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.028 -11.058 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.352 -10.886 0.626 1.00 0.00 H new ATOM 1287 N THR A 87 6.294 -8.308 3.112 1.00 0.00 N ATOM 1288 CA THR A 87 5.609 -7.648 4.216 1.00 0.00 C ATOM 1289 C THR A 87 4.100 -7.847 4.124 1.00 0.00 C ATOM 1290 O THR A 87 3.568 -8.149 3.056 1.00 0.00 O ATOM 1291 CB THR A 87 5.916 -6.139 4.246 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.263 -5.529 5.365 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.460 -5.468 2.959 1.00 0.00 C ATOM 0 H THR A 87 6.272 -7.791 2.233 1.00 0.00 H new ATOM 0 HA THR A 87 5.978 -8.104 5.135 1.00 0.00 H new ATOM 0 HB THR A 87 6.994 -6.012 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.535 -4.956 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.687 -4.403 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.980 -5.915 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.385 -5.605 2.838 1.00 0.00 H new ATOM 1301 N SER A 88 3.416 -7.674 5.250 1.00 0.00 N ATOM 1302 CA SER A 88 1.967 -7.838 5.297 1.00 0.00 C ATOM 1303 C SER A 88 1.337 -6.827 6.250 1.00 0.00 C ATOM 1304 O SER A 88 1.791 -6.658 7.382 1.00 0.00 O ATOM 1305 CB SER A 88 1.607 -9.260 5.732 1.00 0.00 C ATOM 1306 OG SER A 88 2.036 -9.511 7.060 1.00 0.00 O ATOM 0 H SER A 88 3.841 -7.420 6.142 1.00 0.00 H new ATOM 0 HA SER A 88 1.573 -7.662 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.529 -9.403 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.069 -9.979 5.055 1.00 0.00 H new ATOM 0 HG SER A 88 2.054 -8.670 7.562 1.00 0.00 H new ATOM 1312 N ALA A 89 0.288 -6.157 5.784 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.406 -5.165 6.594 1.00 0.00 C ATOM 1314 C ALA A 89 -1.918 -5.281 6.429 1.00 0.00 C ATOM 1315 O ALA A 89 -2.406 -6.086 5.635 1.00 0.00 O ATOM 1316 CB ALA A 89 0.060 -3.764 6.227 1.00 0.00 C ATOM 0 H ALA A 89 -0.100 -6.284 4.849 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.165 -5.354 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.467 -3.033 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.132 -3.680 6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.151 -3.574 5.175 1.00 0.00 H new ATOM 1322 N THR A 90 -2.655 -4.473 7.185 1.00 0.00 N ATOM 1323 CA THR A 90 -4.111 -4.487 7.123 1.00 0.00 C ATOM 1324 C THR A 90 -4.669 -3.076 6.978 1.00 0.00 C ATOM 1325 O THR A 90 -4.018 -2.099 7.349 1.00 0.00 O ATOM 1326 CB THR A 90 -4.720 -5.141 8.379 1.00 0.00 C ATOM 1327 OG1 THR A 90 -3.978 -6.314 8.729 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.177 -5.508 8.145 1.00 0.00 C ATOM 0 H THR A 90 -2.267 -3.801 7.847 1.00 0.00 H new ATOM 0 HA THR A 90 -4.385 -5.075 6.247 1.00 0.00 H new ATOM 0 HB THR A 90 -4.669 -4.422 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.370 -6.723 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.585 -5.968 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.745 -4.609 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.246 -6.211 7.315 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.877 -2.976 6.435 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.524 -1.683 6.241 1.00 0.00 C ATOM 1338 C LEU A 91 -7.935 -1.687 6.821 1.00 0.00 C ATOM 1339 O LEU A 91 -8.650 -2.686 6.737 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.573 -1.334 4.752 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.168 0.031 4.403 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.274 1.150 4.914 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.373 0.154 2.900 1.00 0.00 C ATOM 0 H LEU A 91 -6.428 -3.775 6.121 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.938 -0.929 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.559 -1.378 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.150 -2.102 4.238 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.139 0.118 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.714 2.113 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.178 1.073 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.289 1.067 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.797 1.131 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.415 0.045 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.054 -0.626 2.561 1.00 0.00 H new ATOM 1355 N THR A 92 -8.330 -0.562 7.409 1.00 0.00 N ATOM 1356 CA THR A 92 -9.656 -0.435 8.002 1.00 0.00 C ATOM 1357 C THR A 92 -10.468 0.651 7.306 1.00 0.00 C ATOM 1358 O THR A 92 -9.979 1.758 7.080 1.00 0.00 O ATOM 1359 CB THR A 92 -9.570 -0.111 9.506 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.949 -1.195 10.206 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.953 0.147 10.084 1.00 0.00 C ATOM 0 H THR A 92 -7.751 0.274 7.487 1.00 0.00 H new ATOM 0 HA THR A 92 -10.153 -1.396 7.872 1.00 0.00 H new ATOM 0 HB THR A 92 -8.969 0.790 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.897 -0.981 11.161 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.867 0.374 11.147 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.411 0.992 9.569 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.574 -0.739 9.951 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.712 0.327 6.968 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.594 1.276 6.298 1.00 0.00 C ATOM 1371 C VAL A 93 -13.944 1.363 7.001 1.00 0.00 C ATOM 1372 O VAL A 93 -14.636 0.358 7.168 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.819 0.889 4.824 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.831 1.821 4.176 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.503 0.906 4.062 1.00 0.00 C ATOM 0 H VAL A 93 -12.132 -0.585 7.147 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.103 2.248 6.340 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.219 -0.124 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.977 1.532 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.780 1.754 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.462 2.846 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.681 0.630 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.072 1.906 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.812 0.194 4.513 1.00 0.00 H new ATOM 1385 N THR A 94 -14.314 2.572 7.413 1.00 0.00 N ATOM 1386 CA THR A 94 -15.581 2.791 8.099 1.00 0.00 C ATOM 1387 C THR A 94 -16.705 3.057 7.105 1.00 0.00 C ATOM 1388 O THR A 94 -16.581 3.909 6.226 1.00 0.00 O ATOM 1389 CB THR A 94 -15.490 3.973 9.083 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.356 3.809 9.941 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.755 4.078 9.920 1.00 0.00 C ATOM 0 H THR A 94 -13.754 3.414 7.283 1.00 0.00 H new ATOM 0 HA THR A 94 -15.801 1.880 8.656 1.00 0.00 H new ATOM 0 HB THR A 94 -15.378 4.891 8.506 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.304 4.565 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.668 4.919 10.607 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.613 4.232 9.265 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.893 3.158 10.488 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.804 2.323 7.251 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.952 2.482 6.367 1.00 0.00 C ATOM 1401 C ALA A 95 -19.689 3.786 6.654 1.00 0.00 C ATOM 1402 O ALA A 95 -20.170 4.007 7.766 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.896 1.297 6.510 1.00 0.00 C ATOM 0 H ALA A 95 -17.923 1.613 7.973 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.587 2.520 5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.749 1.429 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.370 0.379 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.246 1.233 7.540 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.773 4.646 5.646 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.451 5.930 5.790 1.00 0.00 C ATOM 1411 C LEU A 96 -21.966 5.748 5.798 1.00 0.00 C ATOM 1412 O LEU A 96 -22.513 4.868 5.133 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.046 6.874 4.656 1.00 0.00 C ATOM 1414 CG LEU A 96 -20.930 6.844 3.409 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.198 7.652 3.635 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.168 7.370 2.202 1.00 0.00 C ATOM 0 H LEU A 96 -19.380 4.478 4.720 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.150 6.366 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.035 7.892 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.025 6.635 4.359 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.213 5.810 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -22.815 7.619 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.754 7.230 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.936 8.686 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.813 7.341 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.855 8.397 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.289 6.749 2.027 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.661 6.599 6.567 1.00 0.00 N ATOM 1429 CA PRO A 97 -24.122 6.554 6.678 1.00 0.00 C ATOM 1430 C PRO A 97 -24.814 6.995 5.393 1.00 0.00 C ATOM 1431 O PRO A 97 -24.973 8.189 5.141 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.422 7.537 7.812 1.00 0.00 C ATOM 1433 CG PRO A 97 -23.268 8.480 7.811 1.00 0.00 C ATOM 1434 CD PRO A 97 -22.073 7.672 7.387 1.00 0.00 C ATOM 0 HA PRO A 97 -24.486 5.544 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -25.362 8.062 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -24.512 7.022 8.769 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.442 9.309 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -23.116 8.912 8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.364 8.272 6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.533 7.272 8.245 1.00 0.00 H new