USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 87 MET CE :methyl -168:sc= -0.25 (180deg=0) USER MOD Set 1.2: A 113 CYS SG : rot -33:sc= -2.07 USER MOD Set 2.1: A 46 THR OG1 : rot -175:sc= -0.954 USER MOD Set 2.2: A 55 GLN : amide:sc= 0.162 K(o=-0.0057,f=-3.9) USER MOD Set 2.3: A 96 TYR OH : rot -92:sc= 0.786 USER MOD Set 3.1: A 43 HIS :FLIP no HD1:sc= -2.76 X(o=-5.2,f=-5.2) USER MOD Set 3.2: A 45 GLN : amide:sc= -2.43! C(o=-5.2!,f=-5.2!) USER MOD Set 4.1: A 16 ASN : amide:sc= -0.719 K(o=-1.4,f=-2.5!) USER MOD Set 4.2: A 94 TYR OH : rot 165:sc= -0.64 USER MOD Single : A 21 LYS NZ :NH3+ -107:sc= -2.15! (180deg=-4.71!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 29:sc= 0.0269 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.52 (180deg=-0.521) USER MOD Single : A 38 GLN :FLIP amide:sc= -3.54! C(o=-4.6!,f=-3.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.551 USER MOD Single : A 50 ASN : amide:sc= -1.86 K(o=-1.9,f=-10!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -52:sc= 0.174 USER MOD Single : A 80 MET CE :methyl 137:sc= -2 (180deg=-3.97!) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00414 USER MOD Single : A 89 THR OG1 : rot 46:sc= 0.587 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0868) USER MOD Single : A 95 CYS SG : rot 80:sc= -0.273 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.127 F(o=-0.7,f=-0.13) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.398 -11.711 3.578 1.00 0.00 N ATOM 121 CA LEU A 11 -7.353 -11.599 2.481 1.00 0.00 C ATOM 122 C LEU A 11 -6.647 -11.701 1.133 1.00 0.00 C ATOM 123 O LEU A 11 -5.600 -11.089 0.921 1.00 0.00 O ATOM 124 CB LEU A 11 -8.112 -10.274 2.573 1.00 0.00 C ATOM 125 CG LEU A 11 -8.884 -9.855 1.321 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.118 -9.050 1.700 1.00 0.00 C ATOM 127 CD2 LEU A 11 -7.989 -9.055 0.386 1.00 0.00 C ATOM 0 HA LEU A 11 -8.062 -12.423 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.814 -10.337 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.399 -9.486 2.817 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.209 -10.755 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.655 -8.760 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.769 -9.656 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.816 -8.156 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.555 -8.765 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.634 -8.161 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.136 -9.665 0.088 1.00 0.00 H new ATOM 139 N ASP A 12 -7.227 -12.477 0.224 1.00 0.00 N ATOM 140 CA ASP A 12 -6.656 -12.656 -1.106 1.00 0.00 C ATOM 141 C ASP A 12 -7.272 -11.676 -2.099 1.00 0.00 C ATOM 142 O ASP A 12 -8.391 -11.878 -2.572 1.00 0.00 O ATOM 143 CB ASP A 12 -6.870 -14.092 -1.587 1.00 0.00 C ATOM 144 CG ASP A 12 -8.218 -14.647 -1.169 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.425 -14.854 0.045 1.00 0.00 O ATOM 146 OD2 ASP A 12 -9.067 -14.874 -2.057 1.00 0.00 O ATOM 0 H ASP A 12 -8.093 -12.992 0.384 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.586 -12.457 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.788 -14.124 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.079 -14.727 -1.188 1.00 0.00 H new ATOM 151 N ILE A 13 -6.535 -10.616 -2.411 1.00 0.00 N ATOM 152 CA ILE A 13 -7.010 -9.605 -3.348 1.00 0.00 C ATOM 153 C ILE A 13 -7.049 -10.150 -4.771 1.00 0.00 C ATOM 154 O ILE A 13 -7.985 -9.882 -5.525 1.00 0.00 O ATOM 155 CB ILE A 13 -6.123 -8.346 -3.316 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.112 -7.739 -1.911 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.611 -7.328 -4.335 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.062 -6.666 -1.725 1.00 0.00 C ATOM 0 H ILE A 13 -5.607 -10.435 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.019 -9.336 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.104 -8.631 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.094 -7.316 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.943 -8.532 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.974 -6.444 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.572 -7.765 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.638 -7.045 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.112 -6.281 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.074 -7.089 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.243 -5.854 -2.429 1.00 0.00 H new ATOM 170 N LEU A 14 -6.026 -10.918 -5.133 1.00 0.00 N ATOM 171 CA LEU A 14 -5.943 -11.503 -6.466 1.00 0.00 C ATOM 172 C LEU A 14 -6.492 -12.927 -6.471 1.00 0.00 C ATOM 173 O LEU A 14 -7.022 -13.395 -7.478 1.00 0.00 O ATOM 174 CB LEU A 14 -4.494 -11.502 -6.956 1.00 0.00 C ATOM 175 CG LEU A 14 -3.830 -10.130 -7.081 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.319 -10.276 -7.173 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.370 -9.385 -8.293 1.00 0.00 C ATOM 0 H LEU A 14 -5.243 -11.149 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.548 -10.897 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.900 -12.110 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.460 -11.990 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.065 -9.550 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.863 -9.290 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.946 -10.769 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.064 -10.874 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.887 -8.411 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.165 -9.961 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.446 -9.249 -8.187 1.00 0.00 H new ATOM 189 N GLY A 15 -6.363 -13.609 -5.337 1.00 0.00 N ATOM 190 CA GLY A 15 -6.853 -14.971 -5.231 1.00 0.00 C ATOM 191 C GLY A 15 -5.731 -15.991 -5.219 1.00 0.00 C ATOM 192 O GLY A 15 -5.837 -17.032 -4.573 1.00 0.00 O ATOM 0 H GLY A 15 -5.928 -13.243 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.442 -15.072 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.521 -15.180 -6.067 1.00 0.00 H new ATOM 196 N ASN A 16 -4.654 -15.692 -5.938 1.00 0.00 N ATOM 197 CA ASN A 16 -3.509 -16.592 -6.010 1.00 0.00 C ATOM 198 C ASN A 16 -2.917 -16.831 -4.624 1.00 0.00 C ATOM 199 O ASN A 16 -2.789 -17.971 -4.180 1.00 0.00 O ATOM 200 CB ASN A 16 -2.440 -16.018 -6.942 1.00 0.00 C ATOM 201 CG ASN A 16 -3.039 -15.280 -8.123 1.00 0.00 C ATOM 202 OD1 ASN A 16 -4.156 -15.572 -8.551 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.297 -14.316 -8.656 1.00 0.00 N ATOM 0 H ASN A 16 -4.550 -14.833 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.853 -17.547 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.799 -15.339 -6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.807 -16.827 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.648 -13.784 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.377 -14.108 -8.269 1.00 0.00 H new ATOM 210 N GLY A 17 -2.557 -15.745 -3.946 1.00 0.00 N ATOM 211 CA GLY A 17 -1.984 -15.857 -2.617 1.00 0.00 C ATOM 212 C GLY A 17 -0.812 -14.918 -2.411 1.00 0.00 C ATOM 213 O GLY A 17 -0.321 -14.762 -1.292 1.00 0.00 O ATOM 0 H GLY A 17 -2.652 -14.791 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.752 -15.643 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.657 -16.883 -2.451 1.00 0.00 H new ATOM 217 N LEU A 18 -0.361 -14.291 -3.492 1.00 0.00 N ATOM 218 CA LEU A 18 0.762 -13.363 -3.425 1.00 0.00 C ATOM 219 C LEU A 18 0.349 -12.055 -2.757 1.00 0.00 C ATOM 220 O LEU A 18 0.780 -11.750 -1.644 1.00 0.00 O ATOM 221 CB LEU A 18 1.303 -13.083 -4.828 1.00 0.00 C ATOM 222 CG LEU A 18 2.046 -14.237 -5.503 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.326 -14.562 -4.747 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.153 -15.465 -5.596 1.00 0.00 C ATOM 0 H LEU A 18 -0.756 -14.408 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 18 1.546 -13.824 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.469 -12.792 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.976 -12.227 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 18 2.313 -13.930 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.842 -15.385 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.973 -13.685 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.082 -14.849 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.698 -16.276 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.855 -15.775 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.265 -15.226 -6.181 1.00 0.00 H new ATOM 236 N LEU A 19 -0.490 -11.286 -3.443 1.00 0.00 N ATOM 237 CA LEU A 19 -0.964 -10.011 -2.916 1.00 0.00 C ATOM 238 C LEU A 19 -2.099 -10.222 -1.919 1.00 0.00 C ATOM 239 O LEU A 19 -3.192 -10.650 -2.290 1.00 0.00 O ATOM 240 CB LEU A 19 -1.433 -9.108 -4.057 1.00 0.00 C ATOM 241 CG LEU A 19 -2.136 -7.814 -3.644 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.124 -6.788 -3.160 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.952 -7.257 -4.801 1.00 0.00 C ATOM 0 H LEU A 19 -0.856 -11.523 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.135 -9.529 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.568 -8.849 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.111 -9.680 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.816 -8.039 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.643 -5.874 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.584 -7.187 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.419 -6.567 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.445 -6.336 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.293 -7.048 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.704 -7.987 -5.101 1.00 0.00 H new ATOM 255 N ARG A 20 -1.833 -9.918 -0.653 1.00 0.00 N ATOM 256 CA ARG A 20 -2.832 -10.073 0.397 1.00 0.00 C ATOM 257 C ARG A 20 -3.107 -8.741 1.088 1.00 0.00 C ATOM 258 O ARG A 20 -2.383 -7.765 0.889 1.00 0.00 O ATOM 259 CB ARG A 20 -2.367 -11.107 1.424 1.00 0.00 C ATOM 260 CG ARG A 20 -2.096 -12.479 0.829 1.00 0.00 C ATOM 261 CD ARG A 20 -1.031 -13.227 1.614 1.00 0.00 C ATOM 262 NE ARG A 20 0.314 -12.937 1.125 1.00 0.00 N ATOM 263 CZ ARG A 20 1.365 -13.717 1.358 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.226 -14.827 2.069 1.00 0.00 N ATOM 265 NH2 ARG A 20 2.557 -13.386 0.879 1.00 0.00 N ATOM 0 H ARG A 20 -0.933 -9.563 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.757 -10.420 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.459 -10.744 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.126 -11.201 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.018 -13.061 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.776 -12.370 -0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.100 -12.956 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.218 -14.299 1.548 1.00 0.00 H new ATOM 0 HE ARG A 20 0.455 -12.090 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.311 -15.085 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.034 -15.424 2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.668 -12.533 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.363 -13.985 1.058 1.00 0.00 H new ATOM 279 N LYS A 21 -4.157 -8.707 1.900 1.00 0.00 N ATOM 280 CA LYS A 21 -4.528 -7.496 2.622 1.00 0.00 C ATOM 281 C LYS A 21 -4.913 -7.817 4.063 1.00 0.00 C ATOM 282 O LYS A 21 -5.606 -8.800 4.327 1.00 0.00 O ATOM 283 CB LYS A 21 -5.691 -6.794 1.918 1.00 0.00 C ATOM 284 CG LYS A 21 -5.706 -5.289 2.122 1.00 0.00 C ATOM 285 CD LYS A 21 -6.772 -4.621 1.270 1.00 0.00 C ATOM 286 CE LYS A 21 -8.170 -4.921 1.789 1.00 0.00 C ATOM 287 NZ LYS A 21 -9.175 -4.955 0.690 1.00 0.00 N ATOM 0 H LYS A 21 -4.767 -9.505 2.075 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.664 -6.832 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.640 -7.007 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.630 -7.211 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.886 -5.065 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.728 -4.877 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.610 -3.543 1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.684 -4.965 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.167 -5.880 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.456 -4.164 2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.770 -4.104 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.686 -4.985 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.772 -5.801 0.791 1.00 0.00 H new ATOM 301 N LYS A 22 -4.460 -6.982 4.992 1.00 0.00 N ATOM 302 CA LYS A 22 -4.758 -7.175 6.406 1.00 0.00 C ATOM 303 C LYS A 22 -5.102 -5.848 7.075 1.00 0.00 C ATOM 304 O LYS A 22 -4.225 -5.020 7.324 1.00 0.00 O ATOM 305 CB LYS A 22 -3.567 -7.823 7.116 1.00 0.00 C ATOM 306 CG LYS A 22 -3.772 -8.000 8.610 1.00 0.00 C ATOM 307 CD LYS A 22 -2.585 -8.692 9.258 1.00 0.00 C ATOM 308 CE LYS A 22 -1.425 -7.729 9.467 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.217 -8.423 9.994 1.00 0.00 N ATOM 0 H LYS A 22 -3.885 -6.164 4.791 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.622 -7.835 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.373 -8.797 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.679 -7.213 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.925 -7.026 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.676 -8.583 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.887 -9.113 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.261 -9.524 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.182 -7.243 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.725 -6.944 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.551 -7.734 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.442 -8.866 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.085 -9.155 9.320 1.00 0.00 H new ATOM 323 N THR A 23 -6.384 -5.652 7.366 1.00 0.00 N ATOM 324 CA THR A 23 -6.844 -4.427 8.007 1.00 0.00 C ATOM 325 C THR A 23 -6.218 -4.260 9.387 1.00 0.00 C ATOM 326 O THR A 23 -6.577 -4.964 10.332 1.00 0.00 O ATOM 327 CB THR A 23 -8.378 -4.406 8.146 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.988 -4.594 6.864 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.849 -3.092 8.750 1.00 0.00 C ATOM 0 H THR A 23 -7.123 -6.327 7.168 1.00 0.00 H new ATOM 0 HA THR A 23 -6.534 -3.601 7.367 1.00 0.00 H new ATOM 0 HB THR A 23 -8.672 -5.218 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.963 -4.581 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.935 -3.101 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.406 -2.966 9.738 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.544 -2.266 8.107 1.00 0.00 H new ATOM 337 N LEU A 24 -5.282 -3.324 9.498 1.00 0.00 N ATOM 338 CA LEU A 24 -4.606 -3.064 10.764 1.00 0.00 C ATOM 339 C LEU A 24 -5.483 -2.223 11.687 1.00 0.00 C ATOM 340 O LEU A 24 -5.585 -2.496 12.883 1.00 0.00 O ATOM 341 CB LEU A 24 -3.275 -2.352 10.518 1.00 0.00 C ATOM 342 CG LEU A 24 -2.390 -2.943 9.420 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.268 -1.981 9.062 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.825 -4.287 9.856 1.00 0.00 C ATOM 0 H LEU A 24 -4.974 -2.732 8.726 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.414 -4.022 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.483 -1.312 10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.710 -2.349 11.450 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.002 -3.100 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.649 -2.419 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.693 -1.043 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.657 -1.791 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.198 -4.693 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.228 -4.155 10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.644 -4.977 10.060 1.00 0.00 H new ATOM 356 N VAL A 25 -6.115 -1.199 11.122 1.00 0.00 N ATOM 357 CA VAL A 25 -6.986 -0.320 11.892 1.00 0.00 C ATOM 358 C VAL A 25 -8.159 0.168 11.050 1.00 0.00 C ATOM 359 O VAL A 25 -8.006 0.983 10.140 1.00 0.00 O ATOM 360 CB VAL A 25 -6.216 0.899 12.434 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.149 1.820 13.206 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.055 0.449 13.308 1.00 0.00 C ATOM 0 H VAL A 25 -6.040 -0.958 10.134 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.363 -0.905 12.731 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.811 1.456 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.587 2.675 13.581 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.944 2.169 12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.585 1.277 14.044 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.522 1.323 13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.436 -0.132 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.374 -0.167 12.720 1.00 0.00 H new ATOM 372 N PRO A 26 -9.361 -0.342 11.358 1.00 0.00 N ATOM 373 CA PRO A 26 -10.585 0.029 10.641 1.00 0.00 C ATOM 374 C PRO A 26 -11.012 1.465 10.926 1.00 0.00 C ATOM 375 O PRO A 26 -10.748 1.999 12.002 1.00 0.00 O ATOM 376 CB PRO A 26 -11.625 -0.955 11.183 1.00 0.00 C ATOM 377 CG PRO A 26 -11.118 -1.338 12.531 1.00 0.00 C ATOM 378 CD PRO A 26 -9.618 -1.318 12.430 1.00 0.00 C ATOM 0 HA PRO A 26 -10.454 -0.019 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.611 -0.494 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.722 -1.826 10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.467 -0.640 13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.477 -2.327 12.816 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.156 -1.014 13.369 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.219 -2.302 12.182 1.00 0.00 H new ATOM 386 N GLY A 27 -11.673 2.085 9.953 1.00 0.00 N ATOM 387 CA GLY A 27 -12.126 3.453 10.119 1.00 0.00 C ATOM 388 C GLY A 27 -13.565 3.535 10.589 1.00 0.00 C ATOM 389 O GLY A 27 -14.215 2.522 10.845 1.00 0.00 O ATOM 0 H GLY A 27 -11.903 1.664 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.483 3.961 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.026 3.983 9.172 1.00 0.00 H new ATOM 393 N PRO A 28 -14.082 4.767 10.711 1.00 0.00 N ATOM 394 CA PRO A 28 -15.459 5.006 11.155 1.00 0.00 C ATOM 395 C PRO A 28 -16.487 4.570 10.118 1.00 0.00 C ATOM 396 O PRO A 28 -16.169 4.342 8.951 1.00 0.00 O ATOM 397 CB PRO A 28 -15.508 6.523 11.353 1.00 0.00 C ATOM 398 CG PRO A 28 -14.452 7.058 10.449 1.00 0.00 C ATOM 399 CD PRO A 28 -13.364 6.020 10.424 1.00 0.00 C ATOM 0 HA PRO A 28 -15.703 4.437 12.052 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.489 6.924 11.097 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.314 6.793 12.391 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.847 7.234 9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.073 8.012 10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.865 5.984 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.597 6.224 11.171 1.00 0.00 H new ATOM 407 N PRO A 29 -17.752 4.452 10.550 1.00 0.00 N ATOM 408 CA PRO A 29 -18.853 4.043 9.673 1.00 0.00 C ATOM 409 C PRO A 29 -19.201 5.113 8.643 1.00 0.00 C ATOM 410 O PRO A 29 -20.008 4.882 7.743 1.00 0.00 O ATOM 411 CB PRO A 29 -20.019 3.834 10.642 1.00 0.00 C ATOM 412 CG PRO A 29 -19.702 4.704 11.809 1.00 0.00 C ATOM 413 CD PRO A 29 -18.203 4.709 11.928 1.00 0.00 C ATOM 0 HA PRO A 29 -18.602 3.157 9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -20.968 4.114 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.104 2.789 10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.085 5.713 11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.164 4.320 12.719 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.832 5.664 12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.852 3.940 12.616 1.00 0.00 H new ATOM 421 N GLY A 30 -18.587 6.284 8.782 1.00 0.00 N ATOM 422 CA GLY A 30 -18.846 7.371 7.856 1.00 0.00 C ATOM 423 C GLY A 30 -17.970 7.301 6.620 1.00 0.00 C ATOM 424 O GLY A 30 -18.365 7.753 5.545 1.00 0.00 O ATOM 0 H GLY A 30 -17.915 6.499 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -19.894 7.347 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.680 8.322 8.362 1.00 0.00 H new ATOM 428 N SER A 31 -16.778 6.735 6.773 1.00 0.00 N ATOM 429 CA SER A 31 -15.842 6.612 5.662 1.00 0.00 C ATOM 430 C SER A 31 -16.361 5.626 4.620 1.00 0.00 C ATOM 431 O SER A 31 -17.359 4.940 4.842 1.00 0.00 O ATOM 432 CB SER A 31 -14.471 6.160 6.169 1.00 0.00 C ATOM 433 OG SER A 31 -14.600 5.290 7.280 1.00 0.00 O ATOM 0 H SER A 31 -16.437 6.354 7.656 1.00 0.00 H new ATOM 0 HA SER A 31 -15.744 7.591 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.932 5.654 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.879 7.031 6.452 1.00 0.00 H new ATOM 0 HG SER A 31 -15.447 4.801 7.216 1.00 0.00 H new ATOM 439 N SER A 32 -15.677 5.561 3.483 1.00 0.00 N ATOM 440 CA SER A 32 -16.070 4.662 2.404 1.00 0.00 C ATOM 441 C SER A 32 -14.991 4.600 1.328 1.00 0.00 C ATOM 442 O SER A 32 -14.111 5.459 1.265 1.00 0.00 O ATOM 443 CB SER A 32 -17.394 5.119 1.788 1.00 0.00 C ATOM 444 OG SER A 32 -18.050 4.047 1.134 1.00 0.00 O ATOM 0 H SER A 32 -14.847 6.120 3.285 1.00 0.00 H new ATOM 0 HA SER A 32 -16.197 3.664 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.040 5.524 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.209 5.924 1.077 1.00 0.00 H new ATOM 0 HG SER A 32 -18.894 4.365 0.751 1.00 0.00 H new ATOM 450 N ARG A 33 -15.065 3.577 0.483 1.00 0.00 N ATOM 451 CA ARG A 33 -14.094 3.400 -0.590 1.00 0.00 C ATOM 452 C ARG A 33 -14.145 4.571 -1.567 1.00 0.00 C ATOM 453 O ARG A 33 -15.214 5.031 -1.969 1.00 0.00 O ATOM 454 CB ARG A 33 -14.357 2.089 -1.334 1.00 0.00 C ATOM 455 CG ARG A 33 -14.438 0.877 -0.421 1.00 0.00 C ATOM 456 CD ARG A 33 -14.000 -0.391 -1.139 1.00 0.00 C ATOM 457 NE ARG A 33 -14.655 -1.579 -0.599 1.00 0.00 N ATOM 458 CZ ARG A 33 -15.901 -1.930 -0.894 1.00 0.00 C ATOM 459 NH1 ARG A 33 -16.624 -1.187 -1.720 1.00 0.00 N ATOM 460 NH2 ARG A 33 -16.427 -3.026 -0.362 1.00 0.00 N ATOM 0 H ARG A 33 -15.787 2.858 0.521 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.100 3.363 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.290 2.178 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.564 1.930 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.809 1.037 0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.460 0.758 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.227 -0.303 -2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.919 -0.502 -1.052 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.126 -2.172 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.223 -0.344 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.581 -1.459 -1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.874 -3.600 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.384 -3.294 -0.590 1.00 0.00 H new ATOM 474 N PRO A 34 -12.962 5.066 -1.960 1.00 0.00 N ATOM 475 CA PRO A 34 -12.844 6.189 -2.894 1.00 0.00 C ATOM 476 C PRO A 34 -13.267 5.812 -4.310 1.00 0.00 C ATOM 477 O PRO A 34 -13.873 4.763 -4.529 1.00 0.00 O ATOM 478 CB PRO A 34 -11.353 6.530 -2.854 1.00 0.00 C ATOM 479 CG PRO A 34 -10.685 5.262 -2.445 1.00 0.00 C ATOM 480 CD PRO A 34 -11.647 4.567 -1.522 1.00 0.00 C ATOM 0 HA PRO A 34 -13.492 7.020 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.998 6.868 -3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -11.149 7.332 -2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.460 4.642 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.739 5.464 -1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.578 3.483 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.451 4.813 -0.478 1.00 0.00 H new ATOM 488 N VAL A 35 -12.942 6.674 -5.269 1.00 0.00 N ATOM 489 CA VAL A 35 -13.287 6.430 -6.665 1.00 0.00 C ATOM 490 C VAL A 35 -12.035 6.234 -7.513 1.00 0.00 C ATOM 491 O VAL A 35 -10.944 6.665 -7.139 1.00 0.00 O ATOM 492 CB VAL A 35 -14.114 7.590 -7.250 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.440 8.923 -6.964 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.319 7.396 -8.744 1.00 0.00 C ATOM 0 H VAL A 35 -12.441 7.547 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.886 5.519 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.093 7.595 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.038 9.731 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.350 9.061 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.448 8.933 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.905 8.225 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.350 7.365 -9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.848 6.460 -8.920 1.00 0.00 H new ATOM 504 N LYS A 36 -12.200 5.582 -8.659 1.00 0.00 N ATOM 505 CA LYS A 36 -11.085 5.329 -9.564 1.00 0.00 C ATOM 506 C LYS A 36 -10.913 6.480 -10.550 1.00 0.00 C ATOM 507 O LYS A 36 -11.789 6.741 -11.373 1.00 0.00 O ATOM 508 CB LYS A 36 -11.305 4.020 -10.325 1.00 0.00 C ATOM 509 CG LYS A 36 -10.296 3.785 -11.435 1.00 0.00 C ATOM 510 CD LYS A 36 -10.815 2.789 -12.459 1.00 0.00 C ATOM 511 CE LYS A 36 -9.676 2.047 -13.142 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.043 1.049 -12.237 1.00 0.00 N ATOM 0 H LYS A 36 -13.096 5.219 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.177 5.246 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.259 3.189 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.308 4.022 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.069 4.730 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.363 3.417 -11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.475 2.073 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.411 3.312 -13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.053 1.543 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.925 2.763 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.272 0.565 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.661 1.533 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.754 0.351 -11.939 1.00 0.00 H new ATOM 526 N GLY A 37 -9.777 7.165 -10.461 1.00 0.00 N ATOM 527 CA GLY A 37 -9.511 8.279 -11.352 1.00 0.00 C ATOM 528 C GLY A 37 -9.329 9.587 -10.608 1.00 0.00 C ATOM 529 O GLY A 37 -9.279 10.654 -11.219 1.00 0.00 O ATOM 0 H GLY A 37 -9.036 6.968 -9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.614 8.068 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.334 8.379 -12.060 1.00 0.00 H new ATOM 533 N GLN A 38 -9.231 9.504 -9.285 1.00 0.00 N ATOM 534 CA GLN A 38 -9.056 10.691 -8.457 1.00 0.00 C ATOM 535 C GLN A 38 -7.703 10.669 -7.753 1.00 0.00 C ATOM 536 O GLN A 38 -7.015 9.649 -7.740 1.00 0.00 O ATOM 537 CB GLN A 38 -10.180 10.788 -7.423 1.00 0.00 C ATOM 538 CG GLN A 38 -11.542 11.082 -8.031 1.00 0.00 C ATOM 539 CD GLN A 38 -12.518 11.658 -7.025 1.00 0.00 C ATOM 540 OE1 GLN A 38 -12.267 11.406 -5.745 1.00 0.00 O flip ATOM 541 NE2 GLN A 38 -13.488 12.322 -7.393 1.00 0.00 N flip ATOM 0 H GLN A 38 -9.270 8.628 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.093 11.565 -9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.234 9.851 -6.868 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.935 11.571 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.423 11.782 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.955 10.164 -8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.643 12.491 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.136 12.703 -6.704 1.00 0.00 H new ATOM 550 N VAL A 39 -7.327 11.803 -7.170 1.00 0.00 N ATOM 551 CA VAL A 39 -6.056 11.914 -6.463 1.00 0.00 C ATOM 552 C VAL A 39 -6.167 11.368 -5.044 1.00 0.00 C ATOM 553 O VAL A 39 -6.812 11.969 -4.185 1.00 0.00 O ATOM 554 CB VAL A 39 -5.573 13.376 -6.403 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.512 13.544 -5.326 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.043 13.817 -7.759 1.00 0.00 C ATOM 0 H VAL A 39 -7.884 12.657 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.330 11.322 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.421 14.011 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.183 14.583 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.930 13.270 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.662 12.900 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.706 14.852 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.207 13.180 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.835 13.736 -8.503 1.00 0.00 H new ATOM 566 N VAL A 40 -5.532 10.225 -4.805 1.00 0.00 N ATOM 567 CA VAL A 40 -5.557 9.598 -3.489 1.00 0.00 C ATOM 568 C VAL A 40 -4.213 9.745 -2.784 1.00 0.00 C ATOM 569 O VAL A 40 -3.165 9.427 -3.347 1.00 0.00 O ATOM 570 CB VAL A 40 -5.911 8.102 -3.587 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.415 7.901 -3.475 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.381 7.513 -4.885 1.00 0.00 C ATOM 0 H VAL A 40 -4.994 9.715 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.326 10.109 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.436 7.579 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.646 6.838 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.763 8.284 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.915 8.436 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.640 6.456 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.825 8.038 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.297 7.623 -4.919 1.00 0.00 H new ATOM 582 N THR A 41 -4.250 10.230 -1.547 1.00 0.00 N ATOM 583 CA THR A 41 -3.035 10.420 -0.764 1.00 0.00 C ATOM 584 C THR A 41 -2.968 9.433 0.395 1.00 0.00 C ATOM 585 O THR A 41 -3.829 9.433 1.275 1.00 0.00 O ATOM 586 CB THR A 41 -2.945 11.854 -0.208 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.319 12.796 -1.219 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.536 12.158 0.279 1.00 0.00 C ATOM 0 H THR A 41 -5.108 10.498 -1.066 1.00 0.00 H new ATOM 0 HA THR A 41 -2.195 10.244 -1.436 1.00 0.00 H new ATOM 0 HB THR A 41 -3.630 11.936 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.261 13.705 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.497 13.176 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.265 11.458 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.835 12.059 -0.550 1.00 0.00 H new ATOM 596 N VAL A 42 -1.938 8.592 0.391 1.00 0.00 N ATOM 597 CA VAL A 42 -1.757 7.600 1.444 1.00 0.00 C ATOM 598 C VAL A 42 -0.305 7.546 1.905 1.00 0.00 C ATOM 599 O VAL A 42 0.546 8.276 1.396 1.00 0.00 O ATOM 600 CB VAL A 42 -2.187 6.197 0.973 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.501 6.269 0.211 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.099 5.566 0.118 1.00 0.00 C ATOM 0 H VAL A 42 -1.217 8.578 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.389 7.905 2.278 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.338 5.568 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.789 5.269 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.276 6.677 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.382 6.913 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.419 4.576 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.914 6.191 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.183 5.478 0.702 1.00 0.00 H new ATOM 612 N HIS A 43 -0.029 6.678 2.872 1.00 0.00 N ATOM 613 CA HIS A 43 1.322 6.528 3.402 1.00 0.00 C ATOM 614 C HIS A 43 1.836 5.108 3.185 1.00 0.00 C ATOM 615 O HIS A 43 1.481 4.188 3.923 1.00 0.00 O ATOM 616 CB HIS A 43 1.349 6.871 4.892 1.00 0.00 C ATOM 617 CG HIS A 43 2.730 6.926 5.469 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.846 6.223 5.164 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.085 7.782 6.490 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.845 6.664 5.997 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.360 7.605 6.787 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.722 6.068 3.305 1.00 0.00 H new ATOM 0 HA HIS A 43 1.975 7.217 2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.862 7.834 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.765 6.130 5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.424 8.487 6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.862 6.300 6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.881 8.109 7.504 1.00 0.00 H new ATOM 630 N LEU A 44 2.674 4.937 2.169 1.00 0.00 N ATOM 631 CA LEU A 44 3.238 3.629 1.854 1.00 0.00 C ATOM 632 C LEU A 44 4.672 3.517 2.360 1.00 0.00 C ATOM 633 O LEU A 44 5.469 4.442 2.203 1.00 0.00 O ATOM 634 CB LEU A 44 3.197 3.384 0.344 1.00 0.00 C ATOM 635 CG LEU A 44 4.341 2.549 -0.231 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.637 3.346 -0.231 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.507 1.257 0.556 1.00 0.00 C ATOM 0 H LEU A 44 2.978 5.688 1.549 1.00 0.00 H new ATOM 0 HA LEU A 44 2.636 2.871 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.256 2.890 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.190 4.350 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 44 4.096 2.294 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.440 2.735 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.513 4.242 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.888 3.633 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.326 0.676 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.729 1.491 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.585 0.678 0.503 1.00 0.00 H new ATOM 649 N GLN A 45 4.994 2.379 2.966 1.00 0.00 N ATOM 650 CA GLN A 45 6.333 2.147 3.494 1.00 0.00 C ATOM 651 C GLN A 45 6.842 0.765 3.098 1.00 0.00 C ATOM 652 O GLN A 45 6.329 -0.254 3.561 1.00 0.00 O ATOM 653 CB GLN A 45 6.335 2.287 5.017 1.00 0.00 C ATOM 654 CG GLN A 45 6.289 3.729 5.495 1.00 0.00 C ATOM 655 CD GLN A 45 6.789 3.889 6.917 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.104 4.455 7.769 1.00 0.00 O ATOM 657 NE2 GLN A 45 7.991 3.390 7.182 1.00 0.00 N ATOM 0 H GLN A 45 4.346 1.603 3.104 1.00 0.00 H new ATOM 0 HA GLN A 45 7.000 2.896 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.478 1.750 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.229 1.809 5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.892 4.347 4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.265 4.097 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.525 2.928 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.380 3.468 8.122 1.00 0.00 H new ATOM 666 N THR A 46 7.854 0.737 2.237 1.00 0.00 N ATOM 667 CA THR A 46 8.432 -0.520 1.777 1.00 0.00 C ATOM 668 C THR A 46 9.507 -1.015 2.738 1.00 0.00 C ATOM 669 O THR A 46 10.409 -0.266 3.114 1.00 0.00 O ATOM 670 CB THR A 46 9.043 -0.376 0.371 1.00 0.00 C ATOM 671 OG1 THR A 46 8.222 0.477 -0.435 1.00 0.00 O ATOM 672 CG2 THR A 46 9.184 -1.734 -0.300 1.00 0.00 C ATOM 0 H THR A 46 8.291 1.571 1.844 1.00 0.00 H new ATOM 0 HA THR A 46 7.620 -1.246 1.739 1.00 0.00 H new ATOM 0 HB THR A 46 10.034 0.065 0.473 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.574 0.501 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.618 -1.606 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.833 -2.371 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.202 -2.199 -0.390 1.00 0.00 H new ATOM 680 N SER A 47 9.406 -2.281 3.131 1.00 0.00 N ATOM 681 CA SER A 47 10.369 -2.875 4.050 1.00 0.00 C ATOM 682 C SER A 47 10.543 -4.364 3.767 1.00 0.00 C ATOM 683 O SER A 47 9.566 -5.104 3.647 1.00 0.00 O ATOM 684 CB SER A 47 9.918 -2.669 5.498 1.00 0.00 C ATOM 685 OG SER A 47 9.226 -1.441 5.646 1.00 0.00 O ATOM 0 H SER A 47 8.667 -2.915 2.827 1.00 0.00 H new ATOM 0 HA SER A 47 11.329 -2.380 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.272 -3.493 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.785 -2.683 6.158 1.00 0.00 H new ATOM 0 HG SER A 47 8.947 -1.333 6.579 1.00 0.00 H new ATOM 691 N LEU A 48 11.795 -4.797 3.661 1.00 0.00 N ATOM 692 CA LEU A 48 12.099 -6.198 3.392 1.00 0.00 C ATOM 693 C LEU A 48 11.376 -7.111 4.376 1.00 0.00 C ATOM 694 O LEU A 48 10.969 -6.679 5.454 1.00 0.00 O ATOM 695 CB LEU A 48 13.608 -6.437 3.472 1.00 0.00 C ATOM 696 CG LEU A 48 14.388 -6.248 2.170 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.165 -7.430 1.239 1.00 0.00 C ATOM 698 CD2 LEU A 48 13.984 -4.948 1.490 1.00 0.00 C ATOM 0 H LEU A 48 12.615 -4.198 3.757 1.00 0.00 H new ATOM 0 HA LEU A 48 11.752 -6.432 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.023 -5.763 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.776 -7.453 3.829 1.00 0.00 H new ATOM 0 HG LEU A 48 15.450 -6.195 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.727 -7.279 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.504 -8.345 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.103 -7.515 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.549 -4.830 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.918 -4.972 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.195 -4.109 2.154 1.00 0.00 H new ATOM 710 N GLU A 49 11.221 -8.376 3.998 1.00 0.00 N ATOM 711 CA GLU A 49 10.547 -9.351 4.848 1.00 0.00 C ATOM 712 C GLU A 49 11.334 -9.586 6.134 1.00 0.00 C ATOM 713 O GLU A 49 10.773 -9.988 7.153 1.00 0.00 O ATOM 714 CB GLU A 49 10.363 -10.673 4.101 1.00 0.00 C ATOM 715 CG GLU A 49 9.489 -11.673 4.838 1.00 0.00 C ATOM 716 CD GLU A 49 8.047 -11.216 4.949 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.747 -10.414 5.858 1.00 0.00 O ATOM 718 OE2 GLU A 49 7.218 -11.661 4.127 1.00 0.00 O ATOM 0 H GLU A 49 11.553 -8.750 3.109 1.00 0.00 H new ATOM 0 HA GLU A 49 9.567 -8.951 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.924 -10.470 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.341 -11.120 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.524 -12.631 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.893 -11.836 5.837 1.00 0.00 H new ATOM 725 N ASN A 50 12.637 -9.333 6.078 1.00 0.00 N ATOM 726 CA ASN A 50 13.502 -9.518 7.238 1.00 0.00 C ATOM 727 C ASN A 50 13.365 -8.351 8.211 1.00 0.00 C ATOM 728 O ASN A 50 13.354 -8.540 9.426 1.00 0.00 O ATOM 729 CB ASN A 50 14.960 -9.659 6.795 1.00 0.00 C ATOM 730 CG ASN A 50 15.315 -8.714 5.663 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.093 -7.507 5.755 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.868 -9.262 4.587 1.00 0.00 N ATOM 0 H ASN A 50 13.117 -8.999 5.242 1.00 0.00 H new ATOM 0 HA ASN A 50 13.194 -10.431 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.615 -9.466 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.143 -10.686 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.127 -8.677 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.034 -10.268 4.555 1.00 0.00 H new ATOM 739 N GLY A 51 13.261 -7.142 7.666 1.00 0.00 N ATOM 740 CA GLY A 51 13.126 -5.962 8.500 1.00 0.00 C ATOM 741 C GLY A 51 14.052 -4.841 8.073 1.00 0.00 C ATOM 742 O GLY A 51 14.628 -4.147 8.911 1.00 0.00 O ATOM 0 H GLY A 51 13.268 -6.959 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.095 -5.611 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.336 -6.227 9.536 1.00 0.00 H new ATOM 746 N THR A 52 14.199 -4.663 6.763 1.00 0.00 N ATOM 747 CA THR A 52 15.065 -3.621 6.226 1.00 0.00 C ATOM 748 C THR A 52 14.275 -2.639 5.368 1.00 0.00 C ATOM 749 O THR A 52 13.970 -2.920 4.208 1.00 0.00 O ATOM 750 CB THR A 52 16.207 -4.218 5.383 1.00 0.00 C ATOM 751 OG1 THR A 52 17.211 -4.772 6.242 1.00 0.00 O ATOM 752 CG2 THR A 52 16.829 -3.159 4.486 1.00 0.00 C ATOM 0 H THR A 52 13.729 -5.227 6.055 1.00 0.00 H new ATOM 0 HA THR A 52 15.491 -3.094 7.079 1.00 0.00 H new ATOM 0 HB THR A 52 15.791 -5.005 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.933 -5.151 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.633 -3.605 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.069 -2.759 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.231 -2.353 5.100 1.00 0.00 H new ATOM 760 N ARG A 53 13.947 -1.488 5.944 1.00 0.00 N ATOM 761 CA ARG A 53 13.192 -0.464 5.230 1.00 0.00 C ATOM 762 C ARG A 53 13.948 0.003 3.990 1.00 0.00 C ATOM 763 O ARG A 53 15.067 0.507 4.085 1.00 0.00 O ATOM 764 CB ARG A 53 12.913 0.727 6.149 1.00 0.00 C ATOM 765 CG ARG A 53 11.674 0.552 7.013 1.00 0.00 C ATOM 766 CD ARG A 53 11.036 1.891 7.348 1.00 0.00 C ATOM 767 NE ARG A 53 11.883 2.698 8.223 1.00 0.00 N ATOM 768 CZ ARG A 53 11.989 2.498 9.532 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.304 1.523 10.114 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.780 3.274 10.261 1.00 0.00 N ATOM 0 H ARG A 53 14.192 -1.240 6.903 1.00 0.00 H new ATOM 0 HA ARG A 53 12.245 -0.900 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.776 0.887 6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.798 1.625 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.952 -0.077 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.941 0.034 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.840 2.440 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.073 1.723 7.830 1.00 0.00 H new ATOM 0 HE ARG A 53 12.423 3.457 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.694 0.925 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.387 1.371 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.308 4.025 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.861 3.119 11.266 1.00 0.00 H new ATOM 784 N VAL A 54 13.328 -0.169 2.826 1.00 0.00 N ATOM 785 CA VAL A 54 13.941 0.235 1.567 1.00 0.00 C ATOM 786 C VAL A 54 13.572 1.671 1.212 1.00 0.00 C ATOM 787 O VAL A 54 14.425 2.459 0.805 1.00 0.00 O ATOM 788 CB VAL A 54 13.517 -0.693 0.413 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.194 -0.276 -0.884 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.838 -2.141 0.749 1.00 0.00 C ATOM 0 H VAL A 54 12.402 -0.585 2.730 1.00 0.00 H new ATOM 0 HA VAL A 54 15.020 0.163 1.703 1.00 0.00 H new ATOM 0 HB VAL A 54 12.439 -0.605 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.882 -0.943 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.909 0.747 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.276 -0.333 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.532 -2.783 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.910 -2.247 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.302 -2.432 1.652 1.00 0.00 H new ATOM 800 N GLN A 55 12.295 2.004 1.369 1.00 0.00 N ATOM 801 CA GLN A 55 11.812 3.346 1.064 1.00 0.00 C ATOM 802 C GLN A 55 10.667 3.737 1.993 1.00 0.00 C ATOM 803 O GLN A 55 9.899 2.885 2.438 1.00 0.00 O ATOM 804 CB GLN A 55 11.353 3.427 -0.393 1.00 0.00 C ATOM 805 CG GLN A 55 9.988 2.804 -0.636 1.00 0.00 C ATOM 806 CD GLN A 55 9.369 3.249 -1.947 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.943 2.425 -2.757 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.316 4.558 -2.162 1.00 0.00 N ATOM 0 H GLN A 55 11.576 1.363 1.706 1.00 0.00 H new ATOM 0 HA GLN A 55 12.635 4.044 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.326 4.473 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.088 2.929 -1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.083 1.718 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.321 3.068 0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.681 5.205 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.910 4.917 -3.026 1.00 0.00 H new ATOM 817 N GLU A 56 10.560 5.030 2.281 1.00 0.00 N ATOM 818 CA GLU A 56 9.509 5.532 3.158 1.00 0.00 C ATOM 819 C GLU A 56 8.847 6.771 2.560 1.00 0.00 C ATOM 820 O GLU A 56 9.454 7.839 2.492 1.00 0.00 O ATOM 821 CB GLU A 56 10.081 5.862 4.538 1.00 0.00 C ATOM 822 CG GLU A 56 9.018 6.175 5.578 1.00 0.00 C ATOM 823 CD GLU A 56 9.599 6.775 6.844 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.862 7.996 6.855 1.00 0.00 O ATOM 825 OE2 GLU A 56 9.790 6.024 7.823 1.00 0.00 O ATOM 0 H GLU A 56 11.188 5.748 1.920 1.00 0.00 H new ATOM 0 HA GLU A 56 8.754 4.752 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.680 5.020 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.753 6.716 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.292 6.867 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.479 5.261 5.828 1.00 0.00 H new ATOM 832 N GLU A 57 7.599 6.617 2.128 1.00 0.00 N ATOM 833 CA GLU A 57 6.856 7.723 1.535 1.00 0.00 C ATOM 834 C GLU A 57 5.683 8.128 2.423 1.00 0.00 C ATOM 835 O GLU A 57 4.643 7.470 2.460 1.00 0.00 O ATOM 836 CB GLU A 57 6.347 7.336 0.145 1.00 0.00 C ATOM 837 CG GLU A 57 5.855 8.518 -0.673 1.00 0.00 C ATOM 838 CD GLU A 57 6.952 9.524 -0.963 1.00 0.00 C ATOM 839 OE1 GLU A 57 7.153 10.438 -0.136 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.609 9.398 -2.018 1.00 0.00 O ATOM 0 H GLU A 57 7.082 5.739 2.177 1.00 0.00 H new ATOM 0 HA GLU A 57 7.531 8.574 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.148 6.836 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.536 6.616 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.441 8.156 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.045 9.014 -0.138 1.00 0.00 H new ATOM 847 N PRO A 58 5.853 9.238 3.157 1.00 0.00 N ATOM 848 CA PRO A 58 4.820 9.756 4.059 1.00 0.00 C ATOM 849 C PRO A 58 3.622 10.321 3.303 1.00 0.00 C ATOM 850 O PRO A 58 2.476 9.982 3.597 1.00 0.00 O ATOM 851 CB PRO A 58 5.542 10.868 4.824 1.00 0.00 C ATOM 852 CG PRO A 58 6.639 11.302 3.914 1.00 0.00 C ATOM 853 CD PRO A 58 7.066 10.072 3.163 1.00 0.00 C ATOM 0 HA PRO A 58 4.410 8.976 4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.868 11.693 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.935 10.505 5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.294 12.077 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.471 11.723 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.394 10.312 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.897 9.568 3.656 1.00 0.00 H new ATOM 861 N GLU A 59 3.895 11.184 2.330 1.00 0.00 N ATOM 862 CA GLU A 59 2.838 11.796 1.533 1.00 0.00 C ATOM 863 C GLU A 59 2.834 11.237 0.113 1.00 0.00 C ATOM 864 O GLU A 59 3.272 11.901 -0.828 1.00 0.00 O ATOM 865 CB GLU A 59 3.012 13.316 1.495 1.00 0.00 C ATOM 866 CG GLU A 59 1.973 14.026 0.644 1.00 0.00 C ATOM 867 CD GLU A 59 1.978 15.528 0.851 1.00 0.00 C ATOM 868 OE1 GLU A 59 3.046 16.149 0.667 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.914 16.084 1.198 1.00 0.00 O ATOM 0 H GLU A 59 4.839 11.475 2.074 1.00 0.00 H new ATOM 0 HA GLU A 59 1.882 11.559 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.963 13.704 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.005 13.550 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.159 13.807 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.984 13.633 0.881 1.00 0.00 H new ATOM 876 N LEU A 60 2.339 10.014 -0.034 1.00 0.00 N ATOM 877 CA LEU A 60 2.278 9.364 -1.339 1.00 0.00 C ATOM 878 C LEU A 60 0.991 9.731 -2.070 1.00 0.00 C ATOM 879 O LEU A 60 -0.108 9.530 -1.553 1.00 0.00 O ATOM 880 CB LEU A 60 2.373 7.846 -1.179 1.00 0.00 C ATOM 881 CG LEU A 60 2.086 7.020 -2.434 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.596 7.013 -2.739 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.873 7.560 -3.619 1.00 0.00 C ATOM 0 H LEU A 60 1.974 9.451 0.734 1.00 0.00 H new ATOM 0 HA LEU A 60 3.123 9.714 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.375 7.600 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.677 7.539 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 60 2.403 5.993 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.411 6.421 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.055 6.579 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.253 8.035 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.657 6.960 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.587 8.596 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.940 7.512 -3.400 1.00 0.00 H new ATOM 895 N VAL A 61 1.135 10.268 -3.277 1.00 0.00 N ATOM 896 CA VAL A 61 -0.016 10.659 -4.082 1.00 0.00 C ATOM 897 C VAL A 61 0.055 10.048 -5.477 1.00 0.00 C ATOM 898 O VAL A 61 1.139 9.866 -6.032 1.00 0.00 O ATOM 899 CB VAL A 61 -0.118 12.191 -4.209 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.091 12.747 -4.947 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.408 12.583 -4.912 1.00 0.00 C ATOM 0 H VAL A 61 2.038 10.442 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.902 10.284 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.132 12.621 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.002 13.830 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.999 12.497 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.140 12.312 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.463 13.669 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.427 12.143 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.260 12.218 -4.339 1.00 0.00 H new ATOM 911 N PHE A 62 -1.107 9.734 -6.040 1.00 0.00 N ATOM 912 CA PHE A 62 -1.177 9.143 -7.371 1.00 0.00 C ATOM 913 C PHE A 62 -2.606 9.174 -7.905 1.00 0.00 C ATOM 914 O PHE A 62 -3.537 9.567 -7.201 1.00 0.00 O ATOM 915 CB PHE A 62 -0.664 7.702 -7.340 1.00 0.00 C ATOM 916 CG PHE A 62 -1.553 6.765 -6.574 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.813 6.440 -7.051 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.130 6.208 -5.378 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.634 5.579 -6.348 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.946 5.346 -4.671 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.200 5.030 -5.157 1.00 0.00 C ATOM 0 H PHE A 62 -2.013 9.879 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.546 9.732 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.563 7.339 -8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.332 7.689 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.157 6.864 -7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.150 6.451 -4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.615 5.335 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.604 4.920 -3.740 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.839 4.355 -4.607 1.00 0.00 H new ATOM 931 N THR A 63 -2.773 8.757 -9.156 1.00 0.00 N ATOM 932 CA THR A 63 -4.087 8.738 -9.787 1.00 0.00 C ATOM 933 C THR A 63 -4.620 7.315 -9.905 1.00 0.00 C ATOM 934 O THR A 63 -4.225 6.565 -10.799 1.00 0.00 O ATOM 935 CB THR A 63 -4.047 9.377 -11.188 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.629 10.743 -11.092 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.412 9.305 -11.855 1.00 0.00 C ATOM 0 H THR A 63 -2.014 8.428 -9.753 1.00 0.00 H new ATOM 0 HA THR A 63 -4.752 9.320 -9.149 1.00 0.00 H new ATOM 0 HB THR A 63 -3.333 8.821 -11.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.605 11.141 -11.987 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.359 9.762 -12.843 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.714 8.262 -11.954 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.143 9.839 -11.247 1.00 0.00 H new ATOM 945 N LEU A 64 -5.519 6.948 -8.998 1.00 0.00 N ATOM 946 CA LEU A 64 -6.107 5.613 -9.001 1.00 0.00 C ATOM 947 C LEU A 64 -6.602 5.239 -10.395 1.00 0.00 C ATOM 948 O LEU A 64 -7.319 6.005 -11.037 1.00 0.00 O ATOM 949 CB LEU A 64 -7.262 5.541 -8.001 1.00 0.00 C ATOM 950 CG LEU A 64 -7.866 4.156 -7.771 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.812 3.194 -7.245 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.042 4.239 -6.809 1.00 0.00 C ATOM 0 H LEU A 64 -5.856 7.556 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.335 4.902 -8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.911 5.926 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.053 6.208 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.230 3.777 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.261 2.213 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.002 3.110 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.417 3.568 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.459 3.243 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.703 4.640 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.808 4.893 -7.226 1.00 0.00 H new ATOM 964 N GLY A 65 -6.215 4.053 -10.856 1.00 0.00 N ATOM 965 CA GLY A 65 -6.630 3.597 -12.170 1.00 0.00 C ATOM 966 C GLY A 65 -5.483 3.561 -13.160 1.00 0.00 C ATOM 967 O GLY A 65 -5.453 2.716 -14.055 1.00 0.00 O ATOM 0 H GLY A 65 -5.622 3.400 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.064 2.601 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.413 4.254 -12.549 1.00 0.00 H new ATOM 971 N ASP A 66 -4.538 4.481 -13.002 1.00 0.00 N ATOM 972 CA ASP A 66 -3.383 4.552 -13.890 1.00 0.00 C ATOM 973 C ASP A 66 -2.263 3.640 -13.399 1.00 0.00 C ATOM 974 O ASP A 66 -1.263 3.442 -14.089 1.00 0.00 O ATOM 975 CB ASP A 66 -2.878 5.992 -13.991 1.00 0.00 C ATOM 976 CG ASP A 66 -2.173 6.267 -15.305 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.149 5.608 -15.578 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.646 7.142 -16.060 1.00 0.00 O ATOM 0 H ASP A 66 -4.549 5.188 -12.267 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.695 4.215 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.719 6.677 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.194 6.193 -13.166 1.00 0.00 H new ATOM 983 N CYS A 67 -2.439 3.087 -12.204 1.00 0.00 N ATOM 984 CA CYS A 67 -1.442 2.197 -11.619 1.00 0.00 C ATOM 985 C CYS A 67 -0.063 2.850 -11.620 1.00 0.00 C ATOM 986 O CYS A 67 0.919 2.249 -12.057 1.00 0.00 O ATOM 987 CB CYS A 67 -1.394 0.876 -12.387 1.00 0.00 C ATOM 988 SG CYS A 67 -2.984 0.020 -12.483 1.00 0.00 S ATOM 0 H CYS A 67 -3.262 3.239 -11.621 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.730 1.998 -10.587 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.036 1.069 -13.398 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.667 0.218 -11.911 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.842 -1.085 -13.153 1.00 0.00 H new ATOM 994 N ASP A 68 0.002 4.083 -11.131 1.00 0.00 N ATOM 995 CA ASP A 68 1.261 4.818 -11.076 1.00 0.00 C ATOM 996 C ASP A 68 2.097 4.374 -9.880 1.00 0.00 C ATOM 997 O ASP A 68 3.288 4.675 -9.797 1.00 0.00 O ATOM 998 CB ASP A 68 0.994 6.322 -10.997 1.00 0.00 C ATOM 999 CG ASP A 68 0.903 6.966 -12.367 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.861 6.824 -13.155 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.128 7.612 -12.651 1.00 0.00 O ATOM 0 H ASP A 68 -0.802 4.595 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 68 1.820 4.603 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.064 6.495 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.790 6.800 -10.426 1.00 0.00 H new ATOM 1006 N VAL A 69 1.466 3.658 -8.956 1.00 0.00 N ATOM 1007 CA VAL A 69 2.152 3.172 -7.764 1.00 0.00 C ATOM 1008 C VAL A 69 2.255 1.651 -7.771 1.00 0.00 C ATOM 1009 O VAL A 69 1.817 0.993 -8.716 1.00 0.00 O ATOM 1010 CB VAL A 69 1.431 3.621 -6.479 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.682 5.097 -6.214 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.060 3.334 -6.578 1.00 0.00 C ATOM 0 H VAL A 69 0.480 3.401 -9.009 1.00 0.00 H new ATOM 0 HA VAL A 69 3.154 3.601 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 69 1.832 3.053 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.165 5.396 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.752 5.269 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.309 5.686 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.554 3.657 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.479 3.875 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.216 2.264 -6.716 1.00 0.00 H new ATOM 1022 N ILE A 70 2.837 1.098 -6.712 1.00 0.00 N ATOM 1023 CA ILE A 70 2.996 -0.346 -6.596 1.00 0.00 C ATOM 1024 C ILE A 70 1.684 -1.069 -6.881 1.00 0.00 C ATOM 1025 O ILE A 70 0.606 -0.568 -6.560 1.00 0.00 O ATOM 1026 CB ILE A 70 3.495 -0.746 -5.195 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.606 0.200 -4.736 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.987 -2.186 -5.199 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.665 0.445 -5.789 1.00 0.00 C ATOM 0 H ILE A 70 3.206 1.628 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 70 3.739 -0.642 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 70 2.664 -0.668 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.164 1.154 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.079 -0.214 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.336 -2.454 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.171 -2.848 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.807 -2.289 -5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.420 1.125 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.134 -0.501 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.204 0.888 -6.672 1.00 0.00 H new ATOM 1041 N GLN A 71 1.783 -2.249 -7.484 1.00 0.00 N ATOM 1042 CA GLN A 71 0.604 -3.041 -7.811 1.00 0.00 C ATOM 1043 C GLN A 71 -0.084 -3.543 -6.545 1.00 0.00 C ATOM 1044 O GLN A 71 -1.222 -4.007 -6.588 1.00 0.00 O ATOM 1045 CB GLN A 71 0.989 -4.225 -8.700 1.00 0.00 C ATOM 1046 CG GLN A 71 0.949 -3.908 -10.186 1.00 0.00 C ATOM 1047 CD GLN A 71 1.227 -5.123 -11.049 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.326 -5.285 -11.579 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.228 -5.987 -11.195 1.00 0.00 N ATOM 0 H GLN A 71 2.668 -2.678 -7.756 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.093 -2.401 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.993 -4.557 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.314 -5.056 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.030 -3.502 -10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.683 -3.133 -10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.667 -5.814 -10.738 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.356 -6.824 -11.764 1.00 0.00 H new ATOM 1058 N ALA A 72 0.617 -3.446 -5.420 1.00 0.00 N ATOM 1059 CA ALA A 72 0.073 -3.889 -4.142 1.00 0.00 C ATOM 1060 C ALA A 72 -0.594 -2.735 -3.400 1.00 0.00 C ATOM 1061 O ALA A 72 -1.312 -2.945 -2.422 1.00 0.00 O ATOM 1062 CB ALA A 72 1.171 -4.504 -3.286 1.00 0.00 C ATOM 0 H ALA A 72 1.562 -3.065 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.685 -4.646 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.751 -4.830 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.601 -5.360 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.949 -3.762 -3.104 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.353 -1.517 -3.871 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.930 -0.329 -3.252 1.00 0.00 C ATOM 1070 C LEU A 73 -2.155 0.148 -4.026 1.00 0.00 C ATOM 1071 O LEU A 73 -3.168 0.523 -3.436 1.00 0.00 O ATOM 1072 CB LEU A 73 0.110 0.790 -3.181 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.436 2.202 -2.962 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.161 2.292 -1.628 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.688 3.225 -3.030 1.00 0.00 C ATOM 0 H LEU A 73 0.238 -1.326 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.241 -0.592 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.805 0.562 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.685 0.784 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.149 2.423 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.543 3.303 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.991 1.586 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.469 2.051 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.281 4.224 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.425 3.007 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.164 3.178 -4.009 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.055 0.128 -5.351 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.156 0.556 -6.207 1.00 0.00 C ATOM 1089 C ASP A 74 -4.290 -0.465 -6.183 1.00 0.00 C ATOM 1090 O ASP A 74 -5.463 -0.109 -6.312 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.666 0.758 -7.641 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.498 1.774 -8.399 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.335 2.985 -8.143 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.312 1.357 -9.249 1.00 0.00 O ATOM 0 H ASP A 74 -1.224 -0.180 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.535 1.504 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.626 1.084 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.692 -0.195 -8.169 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.934 -1.734 -6.019 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.922 -2.807 -5.980 1.00 0.00 C ATOM 1101 C LEU A 75 -5.518 -2.946 -4.583 1.00 0.00 C ATOM 1102 O LEU A 75 -6.376 -3.797 -4.346 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.284 -4.129 -6.409 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.886 -4.235 -7.882 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.328 -2.911 -8.380 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.871 -5.352 -8.080 1.00 0.00 C ATOM 0 H LEU A 75 -2.969 -2.046 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.724 -2.556 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.395 -4.295 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.981 -4.936 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.777 -4.472 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.050 -3.005 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.085 -2.134 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.448 -2.644 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.599 -5.414 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.981 -5.144 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.306 -6.299 -7.762 1.00 0.00 H new ATOM 1118 N SER A 76 -5.060 -2.104 -3.662 1.00 0.00 N ATOM 1119 CA SER A 76 -5.547 -2.135 -2.288 1.00 0.00 C ATOM 1120 C SER A 76 -6.222 -0.817 -1.922 1.00 0.00 C ATOM 1121 O SER A 76 -7.167 -0.788 -1.133 1.00 0.00 O ATOM 1122 CB SER A 76 -4.395 -2.417 -1.322 1.00 0.00 C ATOM 1123 OG SER A 76 -3.760 -1.215 -0.921 1.00 0.00 O ATOM 0 H SER A 76 -4.352 -1.392 -3.843 1.00 0.00 H new ATOM 0 HA SER A 76 -6.283 -2.935 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.772 -2.943 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.668 -3.074 -1.800 1.00 0.00 H new ATOM 0 HG SER A 76 -3.513 -0.695 -1.714 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.730 0.274 -2.501 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.285 1.596 -2.237 1.00 0.00 C ATOM 1131 C VAL A 77 -7.799 1.601 -2.411 1.00 0.00 C ATOM 1132 O VAL A 77 -8.552 1.950 -1.501 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.669 2.659 -3.166 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.666 3.776 -3.435 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.385 3.212 -2.566 1.00 0.00 C ATOM 0 H VAL A 77 -4.948 0.268 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.040 1.841 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.424 2.187 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.213 4.517 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.555 3.363 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.945 4.249 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.964 3.962 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.602 3.669 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.668 2.402 -2.431 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.259 1.205 -3.607 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.688 1.154 -3.928 1.00 0.00 C ATOM 1147 C PRO A 78 -10.413 0.045 -3.173 1.00 0.00 C ATOM 1148 O PRO A 78 -11.609 -0.174 -3.368 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.704 0.874 -5.433 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.410 0.188 -5.704 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.419 0.776 -4.737 1.00 0.00 C ATOM 0 HA PRO A 78 -10.202 2.073 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.551 0.246 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.791 1.797 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.502 -0.889 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.092 0.348 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.675 0.042 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.878 1.614 -5.176 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.682 -0.652 -2.310 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.256 -1.739 -1.523 1.00 0.00 C ATOM 1161 C LEU A 79 -10.418 -1.328 -0.064 1.00 0.00 C ATOM 1162 O LEU A 79 -11.209 -1.918 0.673 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.373 -2.985 -1.619 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.972 -3.416 -3.030 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.395 -4.823 -3.014 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.165 -3.338 -3.971 1.00 0.00 C ATOM 0 H LEU A 79 -8.691 -0.484 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.242 -1.967 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.465 -2.808 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.896 -3.814 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.203 -2.734 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.115 -5.113 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.514 -4.848 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.142 -5.518 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.861 -3.648 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.956 -3.997 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.534 -2.313 -4.006 1.00 0.00 H new ATOM 1178 N MET A 80 -9.667 -0.312 0.347 1.00 0.00 N ATOM 1179 CA MET A 80 -9.731 0.180 1.719 1.00 0.00 C ATOM 1180 C MET A 80 -10.507 1.491 1.790 1.00 0.00 C ATOM 1181 O MET A 80 -10.520 2.268 0.836 1.00 0.00 O ATOM 1182 CB MET A 80 -8.321 0.378 2.278 1.00 0.00 C ATOM 1183 CG MET A 80 -7.502 1.405 1.514 1.00 0.00 C ATOM 1184 SD MET A 80 -5.726 1.130 1.665 1.00 0.00 S ATOM 1185 CE MET A 80 -5.481 1.454 3.409 1.00 0.00 C ATOM 0 H MET A 80 -9.007 0.187 -0.250 1.00 0.00 H new ATOM 0 HA MET A 80 -10.252 -0.564 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.393 0.686 3.321 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.796 -0.577 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.782 1.376 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.744 2.402 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.814 0.701 3.829 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.039 2.442 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.441 1.417 3.924 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.153 1.729 2.926 1.00 0.00 N ATOM 1196 CA ASP A 81 -11.932 2.947 3.122 1.00 0.00 C ATOM 1197 C ASP A 81 -11.030 4.109 3.529 1.00 0.00 C ATOM 1198 O ASP A 81 -9.870 3.911 3.889 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.008 2.724 4.186 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.067 1.735 3.739 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.680 1.963 2.675 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.283 0.734 4.454 1.00 0.00 O ATOM 0 H ASP A 81 -11.153 1.095 3.725 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.413 3.197 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.540 2.362 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.482 3.676 4.425 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.572 5.321 3.467 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.817 6.515 3.828 1.00 0.00 C ATOM 1209 C VAL A 82 -10.696 6.651 5.341 1.00 0.00 C ATOM 1210 O VAL A 82 -11.675 6.936 6.030 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.473 7.787 3.260 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.988 7.698 3.362 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.953 9.022 3.981 1.00 0.00 C ATOM 0 H VAL A 82 -12.531 5.502 3.170 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.823 6.404 3.395 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.209 7.872 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.434 8.606 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.341 6.836 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.276 7.589 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.427 9.912 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.186 8.948 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.873 9.092 3.850 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.486 6.447 5.854 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.258 6.552 7.283 1.00 0.00 C ATOM 1225 C GLY A 83 -8.978 5.208 7.926 1.00 0.00 C ATOM 1226 O GLY A 83 -8.823 5.116 9.143 1.00 0.00 O ATOM 0 H GLY A 83 -8.660 6.211 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.417 7.221 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.131 7.002 7.755 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.914 4.163 7.106 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.653 2.818 7.604 1.00 0.00 C ATOM 1232 C GLU A 84 -7.255 2.353 7.207 1.00 0.00 C ATOM 1233 O GLU A 84 -6.892 2.370 6.031 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.699 1.839 7.065 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.295 0.381 7.200 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.443 -0.571 6.928 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.528 -0.375 7.514 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.257 -1.512 6.128 1.00 0.00 O ATOM 0 H GLU A 84 -9.039 4.222 6.095 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.714 2.843 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.639 1.997 7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.884 2.060 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.480 0.168 6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.913 0.206 8.206 1.00 0.00 H new ATOM 1245 N THR A 85 -6.472 1.938 8.199 1.00 0.00 N ATOM 1246 CA THR A 85 -5.113 1.471 7.956 1.00 0.00 C ATOM 1247 C THR A 85 -5.095 -0.017 7.627 1.00 0.00 C ATOM 1248 O THR A 85 -5.461 -0.850 8.455 1.00 0.00 O ATOM 1249 CB THR A 85 -4.205 1.728 9.173 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.198 3.123 9.493 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.784 1.259 8.896 1.00 0.00 C ATOM 0 H THR A 85 -6.757 1.916 9.178 1.00 0.00 H new ATOM 0 HA THR A 85 -4.732 2.034 7.104 1.00 0.00 H new ATOM 0 HB THR A 85 -4.599 1.164 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.620 3.278 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.161 1.451 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.789 0.190 8.681 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.383 1.800 8.039 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.664 -0.345 6.413 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.595 -1.734 5.976 1.00 0.00 C ATOM 1261 C ALA A 86 -3.206 -2.075 5.447 1.00 0.00 C ATOM 1262 O ALA A 86 -2.554 -1.247 4.812 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.649 -2.006 4.912 1.00 0.00 C ATOM 0 H ALA A 86 -4.357 0.332 5.715 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.793 -2.370 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.586 -3.047 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.640 -1.811 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.477 -1.355 4.055 1.00 0.00 H new ATOM 1269 N MET A 87 -2.760 -3.298 5.713 1.00 0.00 N ATOM 1270 CA MET A 87 -1.448 -3.747 5.263 1.00 0.00 C ATOM 1271 C MET A 87 -1.568 -4.603 4.006 1.00 0.00 C ATOM 1272 O MET A 87 -2.601 -5.228 3.765 1.00 0.00 O ATOM 1273 CB MET A 87 -0.750 -4.541 6.369 1.00 0.00 C ATOM 1274 CG MET A 87 0.520 -5.238 5.908 1.00 0.00 C ATOM 1275 SD MET A 87 1.672 -5.548 7.260 1.00 0.00 S ATOM 1276 CE MET A 87 2.493 -3.960 7.376 1.00 0.00 C ATOM 0 H MET A 87 -3.288 -3.996 6.238 1.00 0.00 H new ATOM 0 HA MET A 87 -0.852 -2.866 5.026 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.507 -3.867 7.191 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.442 -5.286 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.259 -6.184 5.434 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.011 -4.627 5.151 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.372 -4.051 8.014 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.798 -3.635 6.381 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.809 -3.227 7.803 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.506 -4.625 3.207 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.493 -5.404 1.974 1.00 0.00 C ATOM 1288 C VAL A 88 0.848 -6.102 1.780 1.00 0.00 C ATOM 1289 O VAL A 88 1.905 -5.474 1.856 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.781 -4.519 0.748 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.092 -3.768 0.927 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.368 -3.552 0.507 1.00 0.00 C ATOM 0 H VAL A 88 0.356 -4.113 3.391 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.280 -6.153 2.064 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.875 -5.161 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.279 -3.148 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.907 -4.482 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.031 -3.136 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.147 -2.934 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.496 -2.914 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.285 -4.114 0.330 1.00 0.00 H new ATOM 1302 N THR A 89 0.799 -7.407 1.528 1.00 0.00 N ATOM 1303 CA THR A 89 2.010 -8.191 1.323 1.00 0.00 C ATOM 1304 C THR A 89 1.945 -8.973 0.016 1.00 0.00 C ATOM 1305 O THR A 89 1.281 -10.006 -0.068 1.00 0.00 O ATOM 1306 CB THR A 89 2.245 -9.175 2.485 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.083 -9.988 2.682 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.572 -8.428 3.769 1.00 0.00 C ATOM 0 H THR A 89 -0.067 -7.942 1.461 1.00 0.00 H new ATOM 0 HA THR A 89 2.840 -7.485 1.280 1.00 0.00 H new ATOM 0 HB THR A 89 3.092 -9.811 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.766 -10.320 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.734 -9.144 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.474 -7.834 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.742 -7.770 4.029 1.00 0.00 H new ATOM 1316 N ALA A 90 2.638 -8.474 -1.002 1.00 0.00 N ATOM 1317 CA ALA A 90 2.660 -9.127 -2.305 1.00 0.00 C ATOM 1318 C ALA A 90 4.085 -9.479 -2.718 1.00 0.00 C ATOM 1319 O ALA A 90 5.044 -8.850 -2.272 1.00 0.00 O ATOM 1320 CB ALA A 90 2.009 -8.237 -3.353 1.00 0.00 C ATOM 0 H ALA A 90 3.192 -7.619 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 90 2.092 -10.054 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.033 -8.738 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.975 -8.040 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.553 -7.295 -3.419 1.00 0.00 H new ATOM 1326 N ASP A 91 4.216 -10.489 -3.572 1.00 0.00 N ATOM 1327 CA ASP A 91 5.524 -10.925 -4.045 1.00 0.00 C ATOM 1328 C ASP A 91 6.235 -9.799 -4.790 1.00 0.00 C ATOM 1329 O ASP A 91 5.594 -8.921 -5.367 1.00 0.00 O ATOM 1330 CB ASP A 91 5.380 -12.144 -4.958 1.00 0.00 C ATOM 1331 CG ASP A 91 6.630 -12.408 -5.773 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.730 -12.425 -5.183 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.509 -12.596 -7.002 1.00 0.00 O ATOM 0 H ASP A 91 3.432 -11.021 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 91 6.124 -11.199 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.152 -13.022 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.536 -11.992 -5.631 1.00 0.00 H new ATOM 1338 N SER A 92 7.564 -9.830 -4.771 1.00 0.00 N ATOM 1339 CA SER A 92 8.363 -8.810 -5.440 1.00 0.00 C ATOM 1340 C SER A 92 7.821 -8.526 -6.837 1.00 0.00 C ATOM 1341 O SER A 92 7.958 -7.417 -7.356 1.00 0.00 O ATOM 1342 CB SER A 92 9.824 -9.252 -5.527 1.00 0.00 C ATOM 1343 OG SER A 92 10.685 -8.139 -5.697 1.00 0.00 O ATOM 0 H SER A 92 8.110 -10.551 -4.299 1.00 0.00 H new ATOM 0 HA SER A 92 8.303 -7.894 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.098 -9.793 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.949 -9.943 -6.361 1.00 0.00 H new ATOM 0 HG SER A 92 11.613 -8.448 -5.748 1.00 0.00 H new ATOM 1349 N LYS A 93 7.205 -9.535 -7.443 1.00 0.00 N ATOM 1350 CA LYS A 93 6.640 -9.397 -8.780 1.00 0.00 C ATOM 1351 C LYS A 93 5.633 -8.252 -8.829 1.00 0.00 C ATOM 1352 O LYS A 93 5.580 -7.501 -9.803 1.00 0.00 O ATOM 1353 CB LYS A 93 5.967 -10.702 -9.209 1.00 0.00 C ATOM 1354 CG LYS A 93 4.629 -10.947 -8.533 1.00 0.00 C ATOM 1355 CD LYS A 93 3.878 -12.097 -9.182 1.00 0.00 C ATOM 1356 CE LYS A 93 4.350 -13.442 -8.651 1.00 0.00 C ATOM 1357 NZ LYS A 93 3.387 -14.533 -8.969 1.00 0.00 N ATOM 0 H LYS A 93 7.084 -10.459 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 93 7.453 -9.172 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.822 -10.688 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.634 -11.535 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.789 -11.165 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.024 -10.042 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.810 -11.986 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.019 -12.061 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.323 -13.680 -9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.484 -13.379 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.674 -15.403 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.434 -14.257 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.380 -14.702 -9.995 1.00 0.00 H new ATOM 1371 N TYR A 94 4.837 -8.125 -7.773 1.00 0.00 N ATOM 1372 CA TYR A 94 3.831 -7.072 -7.697 1.00 0.00 C ATOM 1373 C TYR A 94 4.432 -5.784 -7.143 1.00 0.00 C ATOM 1374 O TYR A 94 3.922 -4.690 -7.393 1.00 0.00 O ATOM 1375 CB TYR A 94 2.660 -7.520 -6.821 1.00 0.00 C ATOM 1376 CG TYR A 94 1.877 -8.676 -7.402 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.987 -8.480 -8.451 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.027 -9.963 -6.901 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.269 -9.533 -8.984 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.314 -11.022 -7.429 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.436 -10.802 -8.470 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.276 -11.854 -8.998 1.00 0.00 O ATOM 0 H TYR A 94 4.869 -8.738 -6.958 1.00 0.00 H new ATOM 0 HA TYR A 94 3.468 -6.877 -8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.040 -7.806 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.987 -6.676 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.854 -7.488 -8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.712 -10.139 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.419 -9.363 -9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.443 -12.017 -7.029 1.00 0.00 H new ATOM 0 HH TYR A 94 0.121 -12.699 -8.701 1.00 0.00 H new ATOM 1392 N CYS A 95 5.518 -5.921 -6.390 1.00 0.00 N ATOM 1393 CA CYS A 95 6.189 -4.769 -5.800 1.00 0.00 C ATOM 1394 C CYS A 95 6.996 -4.012 -6.850 1.00 0.00 C ATOM 1395 O CYS A 95 6.608 -2.926 -7.282 1.00 0.00 O ATOM 1396 CB CYS A 95 7.106 -5.215 -4.659 1.00 0.00 C ATOM 1397 SG CYS A 95 6.252 -6.085 -3.324 1.00 0.00 S ATOM 0 H CYS A 95 5.952 -6.818 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 95 5.426 -4.100 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.882 -5.865 -5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.607 -4.339 -4.246 1.00 0.00 H new ATOM 0 HG CYS A 95 6.047 -7.321 -3.672 1.00 0.00 H new ATOM 1403 N TYR A 96 8.120 -4.591 -7.255 1.00 0.00 N ATOM 1404 CA TYR A 96 8.984 -3.970 -8.252 1.00 0.00 C ATOM 1405 C TYR A 96 9.144 -4.871 -9.472 1.00 0.00 C ATOM 1406 O TYR A 96 9.181 -4.398 -10.607 1.00 0.00 O ATOM 1407 CB TYR A 96 10.356 -3.662 -7.648 1.00 0.00 C ATOM 1408 CG TYR A 96 10.324 -2.580 -6.593 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.803 -2.828 -5.329 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.816 -1.308 -6.860 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.771 -1.842 -4.363 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.789 -0.315 -5.899 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.265 -0.587 -4.652 1.00 0.00 C ATOM 1414 OH TYR A 96 10.237 0.398 -3.692 1.00 0.00 O ATOM 0 H TYR A 96 8.455 -5.490 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 96 8.517 -3.038 -8.570 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.764 -4.573 -7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 96 11.035 -3.360 -8.445 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.416 -3.810 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.227 -1.092 -7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.361 -2.052 -3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.176 0.668 -6.123 1.00 0.00 H new ATOM 0 HH TYR A 96 9.406 0.911 -3.774 1.00 0.00 H new ATOM 1424 N GLY A 97 9.238 -6.175 -9.228 1.00 0.00 N ATOM 1425 CA GLY A 97 9.393 -7.124 -10.316 1.00 0.00 C ATOM 1426 C GLY A 97 10.479 -8.146 -10.044 1.00 0.00 C ATOM 1427 O GLY A 97 11.359 -7.940 -9.208 1.00 0.00 O ATOM 0 H GLY A 97 9.210 -6.591 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.447 -7.639 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.628 -6.585 -11.234 1.00 0.00 H new ATOM 1431 N PRO A 98 10.424 -9.278 -10.761 1.00 0.00 N ATOM 1432 CA PRO A 98 11.402 -10.359 -10.609 1.00 0.00 C ATOM 1433 C PRO A 98 12.779 -9.974 -11.141 1.00 0.00 C ATOM 1434 O PRO A 98 13.720 -10.764 -11.081 1.00 0.00 O ATOM 1435 CB PRO A 98 10.806 -11.496 -11.443 1.00 0.00 C ATOM 1436 CG PRO A 98 9.948 -10.816 -12.453 1.00 0.00 C ATOM 1437 CD PRO A 98 9.403 -9.590 -11.775 1.00 0.00 C ATOM 0 HA PRO A 98 11.564 -10.618 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.587 -12.088 -11.921 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.223 -12.178 -10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.525 -10.548 -13.338 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.141 -11.470 -12.784 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.270 -8.768 -12.478 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.431 -9.781 -11.321 1.00 0.00 H new ATOM 1445 N GLN A 99 12.888 -8.755 -11.660 1.00 0.00 N ATOM 1446 CA GLN A 99 14.150 -8.266 -12.202 1.00 0.00 C ATOM 1447 C GLN A 99 14.875 -7.389 -11.187 1.00 0.00 C ATOM 1448 O GLN A 99 16.103 -7.309 -11.184 1.00 0.00 O ATOM 1449 CB GLN A 99 13.905 -7.480 -13.491 1.00 0.00 C ATOM 1450 CG GLN A 99 13.186 -6.159 -13.271 1.00 0.00 C ATOM 1451 CD GLN A 99 12.715 -5.528 -14.566 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.251 -4.509 -15.005 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.708 -6.131 -15.186 1.00 0.00 N ATOM 0 H GLN A 99 12.118 -8.088 -11.716 1.00 0.00 H new ATOM 0 HA GLN A 99 14.779 -9.128 -12.425 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.862 -7.287 -13.976 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.319 -8.094 -14.175 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.329 -6.321 -12.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.853 -5.468 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.294 -6.973 -14.786 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.348 -5.752 -16.062 1.00 0.00 H new ATOM 1462 N GLY A 100 14.106 -6.730 -10.325 1.00 0.00 N ATOM 1463 CA GLY A 100 14.692 -5.867 -9.317 1.00 0.00 C ATOM 1464 C GLY A 100 14.394 -4.401 -9.565 1.00 0.00 C ATOM 1465 O GLY A 100 13.652 -4.058 -10.484 1.00 0.00 O ATOM 0 H GLY A 100 13.087 -6.779 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.313 -6.151 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.771 -6.017 -9.297 1.00 0.00 H new ATOM 1529 N TYR A 105 17.383 0.323 -5.033 1.00 0.00 N ATOM 1530 CA TYR A 105 17.564 -1.018 -5.576 1.00 0.00 C ATOM 1531 C TYR A 105 16.934 -2.066 -4.663 1.00 0.00 C ATOM 1532 O TYR A 105 16.921 -1.913 -3.441 1.00 0.00 O ATOM 1533 CB TYR A 105 19.052 -1.318 -5.764 1.00 0.00 C ATOM 1534 CG TYR A 105 19.337 -2.752 -6.148 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.126 -3.788 -5.246 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.818 -3.072 -7.411 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.385 -5.100 -5.591 1.00 0.00 C ATOM 1538 CE2 TYR A 105 20.079 -4.382 -7.766 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.861 -5.392 -6.852 1.00 0.00 C ATOM 1540 OH TYR A 105 20.121 -6.697 -7.201 1.00 0.00 O ATOM 0 HA TYR A 105 17.066 -1.060 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.453 -0.658 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.580 -1.087 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.753 -3.563 -4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.991 -2.283 -8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.216 -5.893 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.451 -4.614 -8.753 1.00 0.00 H new ATOM 0 HH TYR A 105 20.449 -6.730 -8.124 1.00 0.00 H new ATOM 1550 N ILE A 106 16.413 -3.129 -5.265 1.00 0.00 N ATOM 1551 CA ILE A 106 15.784 -4.204 -4.508 1.00 0.00 C ATOM 1552 C ILE A 106 15.991 -5.552 -5.189 1.00 0.00 C ATOM 1553 O ILE A 106 15.947 -5.669 -6.414 1.00 0.00 O ATOM 1554 CB ILE A 106 14.274 -3.957 -4.331 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.517 -4.360 -5.598 1.00 0.00 C ATOM 1556 CG2 ILE A 106 14.011 -2.498 -3.992 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.099 -5.813 -5.617 1.00 0.00 C ATOM 0 H ILE A 106 16.414 -3.269 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 106 16.260 -4.220 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 106 13.915 -4.571 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.630 -3.734 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.145 -4.160 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.939 -2.340 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.523 -2.242 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.382 -1.865 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.568 -6.027 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.983 -6.447 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.444 -6.014 -4.769 1.00 0.00 H new ATOM 1569 N PRO A 107 16.220 -6.596 -4.379 1.00 0.00 N ATOM 1570 CA PRO A 107 16.436 -7.956 -4.881 1.00 0.00 C ATOM 1571 C PRO A 107 15.168 -8.565 -5.469 1.00 0.00 C ATOM 1572 O PRO A 107 14.058 -8.330 -4.990 1.00 0.00 O ATOM 1573 CB PRO A 107 16.873 -8.729 -3.635 1.00 0.00 C ATOM 1574 CG PRO A 107 16.283 -7.974 -2.494 1.00 0.00 C ATOM 1575 CD PRO A 107 16.285 -6.529 -2.909 1.00 0.00 C ATOM 0 HA PRO A 107 17.165 -7.980 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.510 -9.757 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.959 -8.776 -3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.271 -8.317 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.867 -8.120 -1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.433 -5.990 -2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.184 -6.015 -2.570 1.00 0.00 H new ATOM 1583 N PRO A 108 15.333 -9.368 -6.530 1.00 0.00 N ATOM 1584 CA PRO A 108 14.212 -10.029 -7.205 1.00 0.00 C ATOM 1585 C PRO A 108 13.585 -11.125 -6.350 1.00 0.00 C ATOM 1586 O PRO A 108 14.229 -11.672 -5.454 1.00 0.00 O ATOM 1587 CB PRO A 108 14.855 -10.630 -8.457 1.00 0.00 C ATOM 1588 CG PRO A 108 16.288 -10.817 -8.094 1.00 0.00 C ATOM 1589 CD PRO A 108 16.627 -9.694 -7.153 1.00 0.00 C ATOM 0 HA PRO A 108 13.399 -9.335 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.388 -11.577 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.747 -9.966 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.447 -11.785 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.922 -10.788 -8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.364 -10.000 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.045 -8.838 -7.683 1.00 0.00 H new ATOM 1597 N HIS A 109 12.325 -11.442 -6.632 1.00 0.00 N ATOM 1598 CA HIS A 109 11.612 -12.475 -5.889 1.00 0.00 C ATOM 1599 C HIS A 109 11.736 -12.245 -4.386 1.00 0.00 C ATOM 1600 O HIS A 109 11.685 -13.190 -3.598 1.00 0.00 O ATOM 1601 CB HIS A 109 12.151 -13.858 -6.252 1.00 0.00 C ATOM 1602 CG HIS A 109 12.104 -14.154 -7.719 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.060 -14.612 -8.562 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.971 -13.981 -8.486 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.492 -14.707 -9.808 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.231 -14.321 -9.736 1.00 0.00 N flip ATOM 0 H HIS A 109 11.777 -10.999 -7.369 1.00 0.00 H new ATOM 0 HA HIS A 109 10.558 -12.422 -6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.182 -13.939 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.575 -14.614 -5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.019 -13.623 -8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.995 -15.043 -10.703 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.571 -14.291 -10.513 1.00 0.00 H new ATOM 1615 N ALA A 110 11.898 -10.985 -3.996 1.00 0.00 N ATOM 1616 CA ALA A 110 12.028 -10.633 -2.587 1.00 0.00 C ATOM 1617 C ALA A 110 10.792 -9.888 -2.092 1.00 0.00 C ATOM 1618 O ALA A 110 10.648 -8.687 -2.318 1.00 0.00 O ATOM 1619 CB ALA A 110 13.277 -9.792 -2.367 1.00 0.00 C ATOM 0 H ALA A 110 11.942 -10.191 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 110 12.119 -11.555 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.362 -9.536 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.156 -10.358 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.209 -8.878 -2.957 1.00 0.00 H new ATOM 1625 N ALA A 111 9.904 -10.610 -1.417 1.00 0.00 N ATOM 1626 CA ALA A 111 8.682 -10.017 -0.889 1.00 0.00 C ATOM 1627 C ALA A 111 8.979 -8.727 -0.132 1.00 0.00 C ATOM 1628 O ALA A 111 10.115 -8.485 0.281 1.00 0.00 O ATOM 1629 CB ALA A 111 7.962 -11.007 0.015 1.00 0.00 C ATOM 0 H ALA A 111 10.008 -11.606 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 111 8.034 -9.772 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.051 -10.550 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.706 -11.900 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.612 -11.280 0.846 1.00 0.00 H new ATOM 1635 N LEU A 112 7.955 -7.901 0.047 1.00 0.00 N ATOM 1636 CA LEU A 112 8.107 -6.634 0.754 1.00 0.00 C ATOM 1637 C LEU A 112 6.815 -6.251 1.469 1.00 0.00 C ATOM 1638 O LEU A 112 5.738 -6.254 0.871 1.00 0.00 O ATOM 1639 CB LEU A 112 8.510 -5.528 -0.223 1.00 0.00 C ATOM 1640 CG LEU A 112 9.798 -5.766 -1.012 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.769 -4.999 -2.325 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.012 -5.366 -0.186 1.00 0.00 C ATOM 0 H LEU A 112 7.009 -8.086 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 112 8.892 -6.754 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.695 -5.382 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.616 -4.598 0.336 1.00 0.00 H new ATOM 0 HG LEU A 112 9.871 -6.830 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.694 -5.180 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.921 -5.333 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.671 -3.933 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.919 -5.542 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.945 -4.309 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.042 -5.960 0.727 1.00 0.00 H new ATOM 1654 N CYS A 113 6.930 -5.919 2.750 1.00 0.00 N ATOM 1655 CA CYS A 113 5.771 -5.532 3.547 1.00 0.00 C ATOM 1656 C CYS A 113 5.463 -4.048 3.372 1.00 0.00 C ATOM 1657 O CYS A 113 6.277 -3.190 3.715 1.00 0.00 O ATOM 1658 CB CYS A 113 6.015 -5.845 5.024 1.00 0.00 C ATOM 1659 SG CYS A 113 4.512 -6.225 5.955 1.00 0.00 S ATOM 0 H CYS A 113 7.814 -5.910 3.259 1.00 0.00 H new ATOM 0 HA CYS A 113 4.912 -6.106 3.199 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.699 -6.691 5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.511 -4.993 5.488 1.00 0.00 H new ATOM 0 HG CYS A 113 3.519 -5.535 5.477 1.00 0.00 H new ATOM 1665 N LEU A 114 4.284 -3.754 2.836 1.00 0.00 N ATOM 1666 CA LEU A 114 3.868 -2.373 2.614 1.00 0.00 C ATOM 1667 C LEU A 114 2.625 -2.041 3.432 1.00 0.00 C ATOM 1668 O LEU A 114 1.638 -2.775 3.404 1.00 0.00 O ATOM 1669 CB LEU A 114 3.593 -2.135 1.128 1.00 0.00 C ATOM 1670 CG LEU A 114 4.543 -2.829 0.150 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.045 -2.673 -1.278 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.952 -2.271 0.289 1.00 0.00 C ATOM 0 H LEU A 114 3.599 -4.453 2.547 1.00 0.00 H new ATOM 0 HA LEU A 114 4.678 -1.719 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.576 -2.462 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.630 -1.062 0.939 1.00 0.00 H new ATOM 0 HG LEU A 114 4.569 -3.892 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.733 -3.173 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.055 -3.120 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.989 -1.614 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.614 -2.776 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.943 -1.202 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.309 -2.435 1.306 1.00 0.00 H new ATOM 1684 N GLU A 115 2.681 -0.929 4.159 1.00 0.00 N ATOM 1685 CA GLU A 115 1.558 -0.499 4.984 1.00 0.00 C ATOM 1686 C GLU A 115 0.814 0.661 4.329 1.00 0.00 C ATOM 1687 O GLU A 115 1.287 1.797 4.331 1.00 0.00 O ATOM 1688 CB GLU A 115 2.046 -0.086 6.374 1.00 0.00 C ATOM 1689 CG GLU A 115 0.925 0.102 7.382 1.00 0.00 C ATOM 1690 CD GLU A 115 1.421 0.624 8.716 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.149 -0.119 9.409 1.00 0.00 O ATOM 1692 OE2 GLU A 115 1.083 1.773 9.068 1.00 0.00 O ATOM 0 H GLU A 115 3.491 -0.310 4.193 1.00 0.00 H new ATOM 0 HA GLU A 115 0.871 -1.339 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.736 -0.843 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.608 0.844 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.189 0.796 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.416 -0.850 7.535 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.354 0.366 3.767 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.165 1.383 3.109 1.00 0.00 C ATOM 1701 C VAL A 116 -2.124 2.044 4.093 1.00 0.00 C ATOM 1702 O VAL A 116 -2.687 1.384 4.966 1.00 0.00 O ATOM 1703 CB VAL A 116 -1.975 0.787 1.942 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.609 1.892 1.112 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.090 -0.099 1.077 1.00 0.00 C ATOM 0 H VAL A 116 -0.760 -0.570 3.754 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.476 2.132 2.719 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.774 0.172 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.177 1.451 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.277 2.482 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.829 2.536 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.678 -0.512 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.268 0.492 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.688 -0.913 1.681 1.00 0.00 H new ATOM 1715 N THR A 117 -2.306 3.352 3.945 1.00 0.00 N ATOM 1716 CA THR A 117 -3.196 4.104 4.821 1.00 0.00 C ATOM 1717 C THR A 117 -3.910 5.214 4.058 1.00 0.00 C ATOM 1718 O THR A 117 -3.308 6.234 3.718 1.00 0.00 O ATOM 1719 CB THR A 117 -2.429 4.722 6.005 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.634 3.720 6.650 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.391 5.338 7.010 1.00 0.00 C ATOM 0 H THR A 117 -1.849 3.913 3.226 1.00 0.00 H new ATOM 0 HA THR A 117 -3.933 3.398 5.204 1.00 0.00 H new ATOM 0 HB THR A 117 -1.780 5.508 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.148 4.121 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.827 5.768 7.837 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.974 6.120 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.062 4.568 7.390 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.195 5.010 3.791 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.992 5.995 3.068 1.00 0.00 C ATOM 1731 C LEU A 118 -6.266 7.219 3.938 1.00 0.00 C ATOM 1732 O LEU A 118 -7.034 7.153 4.897 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.313 5.375 2.611 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.910 5.941 1.322 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.387 7.369 1.536 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.892 5.881 0.192 1.00 0.00 C ATOM 0 H LEU A 118 -5.707 4.171 4.064 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.425 6.313 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.162 4.304 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.044 5.497 3.410 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.769 5.331 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.809 7.755 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.149 7.385 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.546 7.992 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.334 6.288 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.013 6.467 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.599 4.845 0.021 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.633 8.336 3.594 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.810 9.576 4.340 1.00 0.00 C ATOM 1750 C LYS A 119 -6.981 10.382 3.785 1.00 0.00 C ATOM 1751 O LYS A 119 -7.996 10.565 4.457 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.530 10.413 4.288 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.281 9.640 4.673 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.005 9.733 6.164 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.772 8.675 6.941 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.227 8.491 8.314 1.00 0.00 N ATOM 0 H LYS A 119 -4.993 8.408 2.803 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.027 9.320 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.406 10.809 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.638 11.268 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.397 8.594 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.426 10.028 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.937 9.615 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.282 10.723 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.822 8.960 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.730 7.728 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.777 7.762 8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.232 8.195 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.291 9.388 8.836 1.00 0.00 H new ATOM 1770 N THR A 120 -6.833 10.861 2.554 1.00 0.00 N ATOM 1771 CA THR A 120 -7.877 11.647 1.909 1.00 0.00 C ATOM 1772 C THR A 120 -7.950 11.346 0.417 1.00 0.00 C ATOM 1773 O THR A 120 -6.937 11.052 -0.217 1.00 0.00 O ATOM 1774 CB THR A 120 -7.646 13.157 2.106 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.251 13.459 1.988 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.155 13.610 3.466 1.00 0.00 C ATOM 0 H THR A 120 -6.000 10.718 1.984 1.00 0.00 H new ATOM 0 HA THR A 120 -8.819 11.367 2.380 1.00 0.00 H new ATOM 0 HB THR A 120 -8.199 13.690 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.113 14.421 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.981 14.680 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.223 13.406 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.626 13.069 4.251 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.155 11.421 -0.139 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.359 11.158 -1.558 1.00 0.00 C ATOM 1786 C ALA A 121 -10.141 12.289 -2.219 1.00 0.00 C ATOM 1787 O ALA A 121 -11.310 12.513 -1.907 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.080 9.832 -1.752 1.00 0.00 C ATOM 0 H ALA A 121 -10.004 11.662 0.372 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.381 11.100 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.225 9.649 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.483 9.027 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.049 9.869 -1.255 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.487 12.999 -3.133 1.00 0.00 N ATOM 1795 CA VAL A 122 -10.121 14.106 -3.838 1.00 0.00 C ATOM 1796 C VAL A 122 -9.660 14.170 -5.289 1.00 0.00 C ATOM 1797 O VAL A 122 -8.678 13.531 -5.668 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.819 15.453 -3.155 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.248 15.421 -1.696 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.341 15.792 -3.277 1.00 0.00 C ATOM 0 H VAL A 122 -8.518 12.827 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.196 13.925 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.390 16.232 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.027 16.381 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.319 15.227 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.706 14.632 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -8.145 16.747 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.748 15.012 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -8.069 15.860 -4.330 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.374 14.946 -6.098 1.00 0.00 N ATOM 1811 CA ASP A 123 -10.037 15.095 -7.509 1.00 0.00 C ATOM 1812 C ASP A 123 -8.907 16.103 -7.694 1.00 0.00 C ATOM 1813 O ASP A 123 -7.980 15.874 -8.471 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.266 15.537 -8.304 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.160 15.186 -9.776 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.071 15.382 -10.355 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -12.166 14.716 -10.347 1.00 0.00 O ATOM 0 H ASP A 123 -11.190 15.481 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.701 14.127 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.155 15.067 -7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.395 16.614 -8.199 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.991 17.218 -6.976 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.977 18.261 -7.063 1.00 0.00 C ATOM 1824 C ARG A 124 -6.692 17.830 -6.363 1.00 0.00 C ATOM 1825 O ARG A 124 -6.709 17.076 -5.390 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.496 19.560 -6.443 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.455 19.569 -4.924 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.393 20.618 -4.348 1.00 0.00 C ATOM 1829 NE ARG A 124 -9.506 20.513 -2.895 1.00 0.00 N ATOM 1830 CZ ARG A 124 -10.090 21.432 -2.135 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.613 22.519 -2.686 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -10.153 21.265 -0.820 1.00 0.00 N ATOM 0 H ARG A 124 -9.751 17.422 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.757 18.431 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.903 20.394 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.522 19.725 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.732 18.585 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.437 19.765 -4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.032 21.612 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.380 20.508 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.115 19.688 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.567 22.651 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.061 23.223 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.753 20.430 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.602 21.972 -0.237 1.00 0.00 H new