USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot -170:sc= 0.884 USER MOD Set 1.2: A 80 SER OG : rot -126:sc= 1.21 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.21) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -126:sc= 0.269 USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 1.28 (180deg=0.979) USER MOD Single : A 57 MET CE :methyl -161:sc= -0.178 (180deg=-0.787) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.68 F(o=-1.6!,f=-0.68) USER MOD Single : A 79 GLN : amide:sc= 0.933 K(o=0.93,f=-4.6!) USER MOD Single : A 88 ASN : amide:sc= -0.0871 K(o=-0.087,f=-2.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= -0.0753 (180deg=-0.297) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=-0.19) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 155:sc= -3.7! (180deg=-4.89!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 14.868 2.472 6.667 1.00 0.00 N ATOM 126 CA LEU A 10 13.752 1.586 6.960 1.00 0.00 C ATOM 127 C LEU A 10 13.274 0.939 5.665 1.00 0.00 C ATOM 128 O LEU A 10 12.791 -0.194 5.658 1.00 0.00 O ATOM 129 CB LEU A 10 12.617 2.361 7.642 1.00 0.00 C ATOM 130 CG LEU A 10 11.833 1.594 8.723 1.00 0.00 C ATOM 131 CD1 LEU A 10 11.050 0.435 8.129 1.00 0.00 C ATOM 132 CD2 LEU A 10 12.776 1.096 9.807 1.00 0.00 C ATOM 0 HA LEU A 10 14.076 0.804 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.037 3.259 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.915 2.689 6.875 1.00 0.00 H new ATOM 0 HG LEU A 10 11.116 2.285 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.509 -0.083 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.341 0.814 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.738 -0.259 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.207 0.556 10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.518 0.430 9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.280 1.945 10.269 1.00 0.00 H new ATOM 144 N TRP A 11 13.435 1.671 4.569 1.00 0.00 N ATOM 145 CA TRP A 11 13.127 1.160 3.237 1.00 0.00 C ATOM 146 C TRP A 11 13.887 -0.144 2.988 1.00 0.00 C ATOM 147 O TRP A 11 13.343 -1.101 2.438 1.00 0.00 O ATOM 148 CB TRP A 11 13.509 2.209 2.190 1.00 0.00 C ATOM 149 CG TRP A 11 12.544 2.295 1.047 1.00 0.00 C ATOM 150 CD1 TRP A 11 11.595 3.257 0.846 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.427 1.383 -0.044 1.00 0.00 C ATOM 152 NE1 TRP A 11 10.895 2.994 -0.309 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.388 1.846 -0.874 1.00 0.00 C ATOM 154 CE3 TRP A 11 13.102 0.217 -0.398 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.015 1.177 -2.039 1.00 0.00 C ATOM 156 CZ3 TRP A 11 12.731 -0.442 -1.547 1.00 0.00 C ATOM 157 CH2 TRP A 11 11.695 0.037 -2.357 1.00 0.00 C ATOM 0 H TRP A 11 13.781 2.631 4.577 1.00 0.00 H new ATOM 0 HA TRP A 11 12.059 0.956 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 11 13.576 3.184 2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 11 14.500 1.977 1.801 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.420 4.100 1.498 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.134 3.560 -0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 11 13.903 -0.163 0.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.218 1.547 -2.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 13.249 -1.346 -1.830 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.428 -0.506 -3.252 1.00 0.00 H new ATOM 168 N GLN A 12 15.139 -0.183 3.431 1.00 0.00 N ATOM 169 CA GLN A 12 15.969 -1.378 3.296 1.00 0.00 C ATOM 170 C GLN A 12 15.462 -2.495 4.208 1.00 0.00 C ATOM 171 O GLN A 12 15.530 -3.673 3.861 1.00 0.00 O ATOM 172 CB GLN A 12 17.425 -1.052 3.635 1.00 0.00 C ATOM 173 CG GLN A 12 18.362 -2.242 3.520 1.00 0.00 C ATOM 174 CD GLN A 12 19.763 -1.923 3.997 1.00 0.00 C ATOM 175 OE1 GLN A 12 20.078 -2.084 5.173 1.00 0.00 O ATOM 176 NE2 GLN A 12 20.613 -1.468 3.090 1.00 0.00 N ATOM 0 H GLN A 12 15.604 0.601 3.888 1.00 0.00 H new ATOM 0 HA GLN A 12 15.910 -1.719 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.774 -0.261 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.473 -0.660 4.651 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.963 -3.072 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.401 -2.571 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.311 -1.349 2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.570 -1.237 3.358 1.00 0.00 H new ATOM 185 N ARG A 13 14.942 -2.111 5.368 1.00 0.00 N ATOM 186 CA ARG A 13 14.423 -3.068 6.343 1.00 0.00 C ATOM 187 C ARG A 13 13.217 -3.823 5.784 1.00 0.00 C ATOM 188 O ARG A 13 12.954 -4.962 6.171 1.00 0.00 O ATOM 189 CB ARG A 13 14.042 -2.355 7.645 1.00 0.00 C ATOM 190 CG ARG A 13 15.223 -1.718 8.363 1.00 0.00 C ATOM 191 CD ARG A 13 16.193 -2.766 8.886 1.00 0.00 C ATOM 192 NE ARG A 13 15.580 -3.612 9.911 1.00 0.00 N ATOM 193 CZ ARG A 13 16.246 -4.168 10.922 1.00 0.00 C ATOM 194 NH1 ARG A 13 17.552 -3.976 11.051 1.00 0.00 N ATOM 195 NH2 ARG A 13 15.593 -4.917 11.806 1.00 0.00 N ATOM 0 H ARG A 13 14.868 -1.136 5.659 1.00 0.00 H new ATOM 0 HA ARG A 13 15.211 -3.791 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.304 -1.584 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.565 -3.071 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.745 -1.047 7.681 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.861 -1.111 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.536 -3.388 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.072 -2.273 9.300 1.00 0.00 H new ATOM 0 HE ARG A 13 14.577 -3.787 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.052 -3.400 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.056 -4.404 11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.588 -5.063 11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.097 -5.346 12.582 1.00 0.00 H new ATOM 209 N LEU A 14 12.488 -3.184 4.877 1.00 0.00 N ATOM 210 CA LEU A 14 11.347 -3.821 4.229 1.00 0.00 C ATOM 211 C LEU A 14 11.806 -5.013 3.393 1.00 0.00 C ATOM 212 O LEU A 14 11.141 -6.045 3.351 1.00 0.00 O ATOM 213 CB LEU A 14 10.605 -2.817 3.342 1.00 0.00 C ATOM 214 CG LEU A 14 10.032 -1.598 4.067 1.00 0.00 C ATOM 215 CD1 LEU A 14 9.365 -0.659 3.075 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.042 -2.030 5.137 1.00 0.00 C ATOM 0 H LEU A 14 12.666 -2.227 4.574 1.00 0.00 H new ATOM 0 HA LEU A 14 10.667 -4.175 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.288 -2.469 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.789 -3.336 2.839 1.00 0.00 H new ATOM 0 HG LEU A 14 10.852 -1.067 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.962 0.204 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.098 -0.324 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.556 -1.183 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.645 -1.149 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.224 -2.583 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.546 -2.668 5.863 1.00 0.00 H new ATOM 228 N LEU A 15 12.971 -4.866 2.761 1.00 0.00 N ATOM 229 CA LEU A 15 13.540 -5.909 1.905 1.00 0.00 C ATOM 230 C LEU A 15 13.895 -7.158 2.705 1.00 0.00 C ATOM 231 O LEU A 15 14.005 -8.250 2.150 1.00 0.00 O ATOM 232 CB LEU A 15 14.778 -5.394 1.162 1.00 0.00 C ATOM 233 CG LEU A 15 14.498 -4.604 -0.121 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.739 -3.322 0.178 1.00 0.00 C ATOM 235 CD2 LEU A 15 15.798 -4.297 -0.850 1.00 0.00 C ATOM 0 H LEU A 15 13.545 -4.025 2.827 1.00 0.00 H new ATOM 0 HA LEU A 15 12.777 -6.177 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.350 -4.760 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.411 -6.246 0.912 1.00 0.00 H new ATOM 0 HG LEU A 15 13.873 -5.221 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.555 -2.783 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.788 -3.564 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.329 -2.698 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.582 -3.736 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.447 -3.705 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.298 -5.230 -1.110 1.00 0.00 H new ATOM 247 N THR A 16 14.126 -6.982 4.000 1.00 0.00 N ATOM 248 CA THR A 16 14.380 -8.104 4.890 1.00 0.00 C ATOM 249 C THR A 16 13.138 -9.001 4.983 1.00 0.00 C ATOM 250 O THR A 16 13.233 -10.198 5.262 1.00 0.00 O ATOM 251 CB THR A 16 14.779 -7.605 6.294 1.00 0.00 C ATOM 252 OG1 THR A 16 15.808 -6.615 6.178 1.00 0.00 O ATOM 253 CG2 THR A 16 15.277 -8.747 7.169 1.00 0.00 C ATOM 0 H THR A 16 14.142 -6.070 4.457 1.00 0.00 H new ATOM 0 HA THR A 16 15.206 -8.686 4.481 1.00 0.00 H new ATOM 0 HB THR A 16 13.894 -7.175 6.762 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.059 -6.298 7.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.550 -8.361 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.489 -9.492 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.149 -9.207 6.705 1.00 0.00 H new ATOM 261 N ARG A 17 11.977 -8.402 4.743 1.00 0.00 N ATOM 262 CA ARG A 17 10.706 -9.116 4.749 1.00 0.00 C ATOM 263 C ARG A 17 10.201 -9.275 3.317 1.00 0.00 C ATOM 264 O ARG A 17 10.956 -9.670 2.430 1.00 0.00 O ATOM 265 CB ARG A 17 9.681 -8.351 5.601 1.00 0.00 C ATOM 266 CG ARG A 17 9.994 -8.351 7.091 1.00 0.00 C ATOM 267 CD ARG A 17 9.554 -9.641 7.775 1.00 0.00 C ATOM 268 NE ARG A 17 10.154 -10.837 7.177 1.00 0.00 N ATOM 269 CZ ARG A 17 11.221 -11.466 7.672 1.00 0.00 C ATOM 270 NH1 ARG A 17 11.812 -11.016 8.773 1.00 0.00 N ATOM 271 NH2 ARG A 17 11.691 -12.548 7.062 1.00 0.00 N ATOM 0 H ARG A 17 11.891 -7.406 4.539 1.00 0.00 H new ATOM 0 HA ARG A 17 10.847 -10.106 5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.629 -7.320 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.695 -8.790 5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.066 -8.213 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.498 -7.504 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.821 -9.596 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.468 -9.721 7.724 1.00 0.00 H new ATOM 0 HE ARG A 17 9.729 -11.212 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.450 -10.186 9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.628 -11.500 9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.236 -12.896 6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.507 -13.031 7.438 1.00 0.00 H new ATOM 285 N GLY A 18 8.920 -8.991 3.103 1.00 0.00 N ATOM 286 CA GLY A 18 8.371 -9.014 1.764 1.00 0.00 C ATOM 287 C GLY A 18 8.549 -7.680 1.060 1.00 0.00 C ATOM 288 O GLY A 18 9.664 -7.175 0.978 1.00 0.00 O ATOM 0 H GLY A 18 8.254 -8.745 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.858 -9.799 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.311 -9.263 1.810 1.00 0.00 H new ATOM 292 N TRP A 19 7.436 -7.109 0.580 1.00 0.00 N ATOM 293 CA TRP A 19 7.443 -5.820 -0.127 1.00 0.00 C ATOM 294 C TRP A 19 8.225 -5.901 -1.438 1.00 0.00 C ATOM 295 O TRP A 19 9.443 -6.055 -1.455 1.00 0.00 O ATOM 296 CB TRP A 19 8.012 -4.700 0.748 1.00 0.00 C ATOM 297 CG TRP A 19 7.160 -4.359 1.937 1.00 0.00 C ATOM 298 CD1 TRP A 19 7.050 -5.058 3.107 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.306 -3.217 2.071 1.00 0.00 C ATOM 300 NE1 TRP A 19 6.170 -4.425 3.954 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.702 -3.292 3.342 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.990 -2.140 1.238 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.803 -2.331 3.799 1.00 0.00 C ATOM 304 CZ3 TRP A 19 5.099 -1.187 1.693 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.514 -1.287 2.964 1.00 0.00 C ATOM 0 H TRP A 19 6.509 -7.525 0.670 1.00 0.00 H new ATOM 0 HA TRP A 19 6.404 -5.586 -0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.003 -4.993 1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.140 -3.806 0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.577 -5.973 3.333 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.908 -4.747 4.886 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.434 -2.054 0.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.351 -2.408 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.848 -0.350 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.822 -0.525 3.290 1.00 0.00 H new ATOM 316 N GLN A 20 7.511 -5.783 -2.538 1.00 0.00 N ATOM 317 CA GLN A 20 8.120 -5.879 -3.856 1.00 0.00 C ATOM 318 C GLN A 20 8.161 -4.499 -4.513 1.00 0.00 C ATOM 319 O GLN A 20 7.123 -3.958 -4.898 1.00 0.00 O ATOM 320 CB GLN A 20 7.322 -6.868 -4.722 1.00 0.00 C ATOM 321 CG GLN A 20 8.118 -7.549 -5.837 1.00 0.00 C ATOM 322 CD GLN A 20 8.610 -6.594 -6.912 1.00 0.00 C ATOM 323 OE1 GLN A 20 7.899 -6.305 -7.874 1.00 0.00 O ATOM 324 NE2 GLN A 20 9.845 -6.138 -6.784 1.00 0.00 N ATOM 0 H GLN A 20 6.504 -5.620 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 20 9.142 -6.244 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.904 -7.638 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.482 -6.338 -5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.975 -8.060 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.494 -8.313 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.404 -6.400 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.239 -5.524 -7.497 1.00 0.00 H new ATOM 333 N PRO A 21 9.357 -3.891 -4.599 1.00 0.00 N ATOM 334 CA PRO A 21 9.556 -2.621 -5.308 1.00 0.00 C ATOM 335 C PRO A 21 9.225 -2.742 -6.795 1.00 0.00 C ATOM 336 O PRO A 21 9.949 -3.391 -7.557 1.00 0.00 O ATOM 337 CB PRO A 21 11.045 -2.318 -5.105 1.00 0.00 C ATOM 338 CG PRO A 21 11.440 -3.125 -3.918 1.00 0.00 C ATOM 339 CD PRO A 21 10.608 -4.372 -3.988 1.00 0.00 C ATOM 0 HA PRO A 21 8.903 -1.834 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.628 -2.595 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.212 -1.255 -4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.504 -3.361 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.253 -2.580 -2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.084 -5.143 -4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.438 -4.801 -3.001 1.00 0.00 H new ATOM 347 N VAL A 22 8.131 -2.115 -7.196 1.00 0.00 N ATOM 348 CA VAL A 22 7.633 -2.243 -8.557 1.00 0.00 C ATOM 349 C VAL A 22 8.046 -1.064 -9.425 1.00 0.00 C ATOM 350 O VAL A 22 8.802 -0.188 -8.998 1.00 0.00 O ATOM 351 CB VAL A 22 6.099 -2.387 -8.589 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.687 -3.748 -8.060 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.433 -1.272 -7.791 1.00 0.00 C ATOM 0 H VAL A 22 7.569 -1.510 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 22 8.083 -3.150 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 22 5.767 -2.303 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.601 -3.836 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.130 -4.528 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.033 -3.859 -7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.351 -1.395 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.768 -1.316 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.704 -0.307 -8.219 1.00 0.00 H new ATOM 363 N GLU A 23 7.521 -1.043 -10.642 1.00 0.00 N ATOM 364 CA GLU A 23 7.925 -0.071 -11.649 1.00 0.00 C ATOM 365 C GLU A 23 6.722 0.326 -12.484 1.00 0.00 C ATOM 366 O GLU A 23 5.677 -0.319 -12.421 1.00 0.00 O ATOM 367 CB GLU A 23 8.972 -0.664 -12.601 1.00 0.00 C ATOM 368 CG GLU A 23 10.203 -1.252 -11.936 1.00 0.00 C ATOM 369 CD GLU A 23 11.033 -2.058 -12.915 1.00 0.00 C ATOM 370 OE1 GLU A 23 10.742 -3.262 -13.091 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.962 -1.493 -13.529 1.00 0.00 O ATOM 0 H GLU A 23 6.805 -1.697 -10.959 1.00 0.00 H new ATOM 0 HA GLU A 23 8.346 0.789 -11.128 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.496 -1.443 -13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.292 0.116 -13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.810 -0.449 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.900 -1.888 -11.105 1.00 0.00 H new ATOM 378 N ALA A 24 6.880 1.371 -13.277 1.00 0.00 N ATOM 379 CA ALA A 24 5.897 1.702 -14.292 1.00 0.00 C ATOM 380 C ALA A 24 6.169 0.876 -15.540 1.00 0.00 C ATOM 381 O ALA A 24 5.278 0.619 -16.345 1.00 0.00 O ATOM 382 CB ALA A 24 5.935 3.186 -14.614 1.00 0.00 C ATOM 0 H ALA A 24 7.679 2.004 -13.237 1.00 0.00 H new ATOM 0 HA ALA A 24 4.901 1.469 -13.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.190 3.412 -15.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.717 3.759 -13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.925 3.453 -14.983 1.00 0.00 H new ATOM 388 N SER A 25 7.420 0.447 -15.672 1.00 0.00 N ATOM 389 CA SER A 25 7.858 -0.348 -16.809 1.00 0.00 C ATOM 390 C SER A 25 7.292 -1.764 -16.739 1.00 0.00 C ATOM 391 O SER A 25 7.163 -2.444 -17.757 1.00 0.00 O ATOM 392 CB SER A 25 9.387 -0.401 -16.827 1.00 0.00 C ATOM 393 OG SER A 25 9.941 0.889 -16.630 1.00 0.00 O ATOM 0 H SER A 25 8.156 0.641 -14.994 1.00 0.00 H new ATOM 0 HA SER A 25 7.491 0.118 -17.723 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.741 -1.076 -16.047 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.729 -0.807 -17.779 1.00 0.00 H new ATOM 0 HG SER A 25 10.919 0.830 -16.644 1.00 0.00 H new ATOM 399 N THR A 26 6.954 -2.207 -15.536 1.00 0.00 N ATOM 400 CA THR A 26 6.464 -3.562 -15.336 1.00 0.00 C ATOM 401 C THR A 26 5.137 -3.575 -14.588 1.00 0.00 C ATOM 402 O THR A 26 4.705 -4.622 -14.100 1.00 0.00 O ATOM 403 CB THR A 26 7.488 -4.405 -14.555 1.00 0.00 C ATOM 404 OG1 THR A 26 7.985 -3.658 -13.436 1.00 0.00 O ATOM 405 CG2 THR A 26 8.642 -4.833 -15.449 1.00 0.00 C ATOM 0 H THR A 26 7.010 -1.648 -14.685 1.00 0.00 H new ATOM 0 HA THR A 26 6.313 -3.993 -16.326 1.00 0.00 H new ATOM 0 HB THR A 26 6.986 -5.303 -14.196 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.964 -3.636 -13.466 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.350 -5.427 -14.870 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.259 -5.430 -16.277 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.145 -3.949 -15.841 1.00 0.00 H new ATOM 413 N VAL A 27 4.473 -2.428 -14.526 1.00 0.00 N ATOM 414 CA VAL A 27 3.231 -2.316 -13.768 1.00 0.00 C ATOM 415 C VAL A 27 2.139 -3.203 -14.373 1.00 0.00 C ATOM 416 O VAL A 27 1.410 -3.881 -13.651 1.00 0.00 O ATOM 417 CB VAL A 27 2.741 -0.846 -13.661 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.432 -0.253 -15.029 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.532 -0.743 -12.744 1.00 0.00 C ATOM 0 H VAL A 27 4.769 -1.568 -14.987 1.00 0.00 H new ATOM 0 HA VAL A 27 3.443 -2.663 -12.757 1.00 0.00 H new ATOM 0 HB VAL A 27 3.554 -0.263 -13.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.092 0.776 -14.911 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.331 -0.270 -15.645 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.651 -0.840 -15.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.207 0.296 -12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.721 -1.355 -13.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.799 -1.096 -11.748 1.00 0.00 H new ATOM 429 N ASP A 28 2.071 -3.239 -15.700 1.00 0.00 N ATOM 430 CA ASP A 28 1.072 -4.048 -16.394 1.00 0.00 C ATOM 431 C ASP A 28 1.383 -5.528 -16.222 1.00 0.00 C ATOM 432 O ASP A 28 0.485 -6.371 -16.198 1.00 0.00 O ATOM 433 CB ASP A 28 1.027 -3.709 -17.891 1.00 0.00 C ATOM 434 CG ASP A 28 0.581 -2.286 -18.181 1.00 0.00 C ATOM 435 OD1 ASP A 28 -0.641 -2.045 -18.281 1.00 0.00 O ATOM 436 OD2 ASP A 28 1.455 -1.405 -18.337 1.00 0.00 O ATOM 0 H ASP A 28 2.695 -2.718 -16.317 1.00 0.00 H new ATOM 0 HA ASP A 28 0.099 -3.824 -15.956 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.017 -3.865 -18.320 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.350 -4.402 -18.391 1.00 0.00 H new ATOM 441 N ASP A 29 2.664 -5.833 -16.088 1.00 0.00 N ATOM 442 CA ASP A 29 3.117 -7.213 -15.967 1.00 0.00 C ATOM 443 C ASP A 29 2.892 -7.738 -14.554 1.00 0.00 C ATOM 444 O ASP A 29 2.404 -8.854 -14.371 1.00 0.00 O ATOM 445 CB ASP A 29 4.599 -7.313 -16.331 1.00 0.00 C ATOM 446 CG ASP A 29 5.126 -8.731 -16.235 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.974 -9.495 -17.210 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.699 -9.089 -15.185 1.00 0.00 O ATOM 0 H ASP A 29 3.413 -5.141 -16.060 1.00 0.00 H new ATOM 0 HA ASP A 29 2.536 -7.824 -16.657 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.747 -6.942 -17.345 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.177 -6.668 -15.669 1.00 0.00 H new ATOM 453 N TRP A 30 3.231 -6.916 -13.563 1.00 0.00 N ATOM 454 CA TRP A 30 3.107 -7.301 -12.160 1.00 0.00 C ATOM 455 C TRP A 30 1.660 -7.635 -11.817 1.00 0.00 C ATOM 456 O TRP A 30 1.374 -8.709 -11.283 1.00 0.00 O ATOM 457 CB TRP A 30 3.618 -6.175 -11.250 1.00 0.00 C ATOM 458 CG TRP A 30 3.767 -6.580 -9.812 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.839 -7.210 -9.249 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.816 -6.385 -8.754 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.615 -7.421 -7.910 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.382 -6.922 -7.580 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.545 -5.808 -8.683 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.718 -6.900 -6.356 1.00 0.00 C ATOM 465 CZ3 TRP A 30 0.888 -5.788 -7.467 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.475 -6.328 -6.319 1.00 0.00 C ATOM 0 H TRP A 30 3.595 -5.974 -13.708 1.00 0.00 H new ATOM 0 HA TRP A 30 3.715 -8.191 -11.996 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.582 -5.829 -11.622 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.931 -5.331 -11.311 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.734 -7.501 -9.779 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.262 -7.876 -7.266 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.084 -5.385 -9.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.168 -7.319 -5.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.096 -5.347 -7.403 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.937 -6.293 -5.383 1.00 0.00 H new ATOM 477 N ILE A 31 0.749 -6.724 -12.155 1.00 0.00 N ATOM 478 CA ILE A 31 -0.674 -6.905 -11.868 1.00 0.00 C ATOM 479 C ILE A 31 -1.191 -8.190 -12.507 1.00 0.00 C ATOM 480 O ILE A 31 -1.974 -8.929 -11.908 1.00 0.00 O ATOM 481 CB ILE A 31 -1.501 -5.709 -12.389 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.975 -4.402 -11.792 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.975 -5.886 -12.054 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.532 -3.165 -12.463 1.00 0.00 C ATOM 0 H ILE A 31 0.972 -5.849 -12.630 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.786 -6.968 -10.786 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.399 -5.667 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.221 -4.372 -10.730 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.112 -4.389 -11.868 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.539 -5.032 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.347 -6.799 -12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.097 -5.953 -10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.116 -2.276 -11.989 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.264 -3.172 -13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.617 -3.155 -12.364 1.00 0.00 H new ATOM 496 N LYS A 32 -0.722 -8.453 -13.718 1.00 0.00 N ATOM 497 CA LYS A 32 -1.112 -9.638 -14.469 1.00 0.00 C ATOM 498 C LYS A 32 -0.650 -10.921 -13.771 1.00 0.00 C ATOM 499 O LYS A 32 -1.350 -11.938 -13.792 1.00 0.00 O ATOM 500 CB LYS A 32 -0.544 -9.536 -15.897 1.00 0.00 C ATOM 501 CG LYS A 32 -0.589 -10.826 -16.708 1.00 0.00 C ATOM 502 CD LYS A 32 0.736 -11.576 -16.644 1.00 0.00 C ATOM 503 CE LYS A 32 1.871 -10.753 -17.242 1.00 0.00 C ATOM 504 NZ LYS A 32 3.184 -11.445 -17.146 1.00 0.00 N ATOM 0 H LYS A 32 -0.060 -7.851 -14.208 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.200 -9.687 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.097 -8.767 -16.437 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.491 -9.200 -15.836 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.388 -11.465 -16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.827 -10.595 -17.746 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.968 -11.819 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.647 -12.520 -17.181 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.651 -10.541 -18.288 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.930 -9.794 -16.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.944 -10.785 -17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.332 -11.775 -16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.195 -12.259 -17.793 1.00 0.00 H new ATOM 518 N ARG A 33 0.514 -10.869 -13.138 1.00 0.00 N ATOM 519 CA ARG A 33 1.074 -12.055 -12.505 1.00 0.00 C ATOM 520 C ARG A 33 0.430 -12.303 -11.151 1.00 0.00 C ATOM 521 O ARG A 33 0.044 -13.428 -10.833 1.00 0.00 O ATOM 522 CB ARG A 33 2.579 -11.899 -12.315 1.00 0.00 C ATOM 523 CG ARG A 33 3.320 -13.226 -12.279 1.00 0.00 C ATOM 524 CD ARG A 33 4.797 -13.037 -11.984 1.00 0.00 C ATOM 525 NE ARG A 33 5.578 -14.225 -12.331 1.00 0.00 N ATOM 526 CZ ARG A 33 6.698 -14.595 -11.713 1.00 0.00 C ATOM 527 NH1 ARG A 33 7.108 -13.955 -10.625 1.00 0.00 N ATOM 528 NH2 ARG A 33 7.387 -15.628 -12.174 1.00 0.00 N ATOM 0 H ARG A 33 1.084 -10.028 -13.049 1.00 0.00 H new ATOM 0 HA ARG A 33 0.873 -12.903 -13.159 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.979 -11.289 -13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.767 -11.360 -11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.877 -13.870 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.202 -13.735 -13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.172 -12.180 -12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.930 -12.811 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 33 5.242 -14.808 -13.097 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.564 -13.174 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.967 -14.244 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.059 -16.134 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.246 -15.918 -11.706 1.00 0.00 H new ATOM 542 N VAL A 34 0.300 -11.243 -10.369 1.00 0.00 N ATOM 543 CA VAL A 34 -0.197 -11.360 -9.003 1.00 0.00 C ATOM 544 C VAL A 34 -1.710 -11.568 -8.952 1.00 0.00 C ATOM 545 O VAL A 34 -2.201 -12.374 -8.164 1.00 0.00 O ATOM 546 CB VAL A 34 0.187 -10.133 -8.142 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.698 -9.995 -8.069 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.438 -8.853 -8.677 1.00 0.00 C ATOM 0 H VAL A 34 0.531 -10.291 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 34 0.285 -12.245 -8.587 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.205 -10.295 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.955 -9.128 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.124 -10.892 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.100 -9.865 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.145 -8.014 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.093 -8.678 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.524 -8.949 -8.673 1.00 0.00 H new ATOM 558 N GLY A 35 -2.445 -10.842 -9.787 1.00 0.00 N ATOM 559 CA GLY A 35 -3.894 -10.924 -9.777 1.00 0.00 C ATOM 560 C GLY A 35 -4.494 -10.053 -8.694 1.00 0.00 C ATOM 561 O GLY A 35 -5.395 -9.251 -8.950 1.00 0.00 O ATOM 0 H GLY A 35 -2.060 -10.194 -10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.283 -10.618 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.199 -11.959 -9.623 1.00 0.00 H new ATOM 565 N ASP A 36 -3.980 -10.215 -7.485 1.00 0.00 N ATOM 566 CA ASP A 36 -4.405 -9.430 -6.342 1.00 0.00 C ATOM 567 C ASP A 36 -3.194 -8.794 -5.670 1.00 0.00 C ATOM 568 O ASP A 36 -2.120 -9.400 -5.594 1.00 0.00 O ATOM 569 CB ASP A 36 -5.163 -10.301 -5.337 1.00 0.00 C ATOM 570 CG ASP A 36 -4.301 -11.378 -4.700 1.00 0.00 C ATOM 571 OD1 ASP A 36 -4.096 -12.435 -5.336 1.00 0.00 O ATOM 572 OD2 ASP A 36 -3.845 -11.184 -3.554 1.00 0.00 O ATOM 0 H ASP A 36 -3.253 -10.898 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.076 -8.645 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.574 -9.664 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.007 -10.772 -5.840 1.00 0.00 H new ATOM 577 N GLY A 37 -3.361 -7.568 -5.208 1.00 0.00 N ATOM 578 CA GLY A 37 -2.281 -6.881 -4.533 1.00 0.00 C ATOM 579 C GLY A 37 -2.482 -5.383 -4.500 1.00 0.00 C ATOM 580 O GLY A 37 -3.593 -4.896 -4.725 1.00 0.00 O ATOM 0 H GLY A 37 -4.226 -7.034 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.197 -7.256 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.340 -7.108 -5.035 1.00 0.00 H new ATOM 584 N VAL A 38 -1.411 -4.652 -4.225 1.00 0.00 N ATOM 585 CA VAL A 38 -1.489 -3.207 -4.087 1.00 0.00 C ATOM 586 C VAL A 38 -0.156 -2.536 -4.400 1.00 0.00 C ATOM 587 O VAL A 38 0.902 -3.010 -3.992 1.00 0.00 O ATOM 588 CB VAL A 38 -1.957 -2.817 -2.666 1.00 0.00 C ATOM 589 CG1 VAL A 38 -1.230 -3.631 -1.606 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.766 -1.332 -2.410 1.00 0.00 C ATOM 0 H VAL A 38 -0.476 -5.038 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.222 -2.853 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.022 -3.041 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.580 -3.335 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.431 -4.691 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.158 -3.451 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.105 -1.090 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.710 -1.079 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.346 -0.760 -3.135 1.00 0.00 H new ATOM 600 N ILE A 39 -0.226 -1.434 -5.131 1.00 0.00 N ATOM 601 CA ILE A 39 0.958 -0.637 -5.448 1.00 0.00 C ATOM 602 C ILE A 39 0.985 0.617 -4.571 1.00 0.00 C ATOM 603 O ILE A 39 0.048 1.422 -4.587 1.00 0.00 O ATOM 604 CB ILE A 39 1.032 -0.214 -6.949 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.439 -1.381 -7.868 1.00 0.00 C ATOM 606 CG2 ILE A 39 2.005 0.941 -7.134 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.359 -2.424 -8.059 1.00 0.00 C ATOM 0 H ILE A 39 -1.094 -1.066 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 39 1.823 -1.270 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 39 0.028 0.102 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.719 -0.981 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.325 -1.863 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.042 1.221 -8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.673 1.795 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.998 0.636 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.725 -3.211 -8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.094 -2.854 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.521 -1.959 -8.503 1.00 0.00 H new ATOM 619 N LEU A 40 2.042 0.755 -3.786 1.00 0.00 N ATOM 620 CA LEU A 40 2.251 1.938 -2.966 1.00 0.00 C ATOM 621 C LEU A 40 3.041 2.971 -3.768 1.00 0.00 C ATOM 622 O LEU A 40 4.185 2.722 -4.153 1.00 0.00 O ATOM 623 CB LEU A 40 3.031 1.563 -1.702 1.00 0.00 C ATOM 624 CG LEU A 40 2.630 2.304 -0.424 1.00 0.00 C ATOM 625 CD1 LEU A 40 3.590 1.961 0.703 1.00 0.00 C ATOM 626 CD2 LEU A 40 2.584 3.809 -0.641 1.00 0.00 C ATOM 0 H LEU A 40 2.777 0.053 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 40 1.286 2.356 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.914 0.493 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.090 1.742 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 40 1.626 1.979 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.295 2.494 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.563 0.887 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.601 2.255 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.296 4.302 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.568 4.162 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.855 4.043 -1.417 1.00 0.00 H new ATOM 638 N LEU A 41 2.429 4.115 -4.040 1.00 0.00 N ATOM 639 CA LEU A 41 3.100 5.171 -4.791 1.00 0.00 C ATOM 640 C LEU A 41 4.026 5.978 -3.886 1.00 0.00 C ATOM 641 O LEU A 41 3.574 6.855 -3.150 1.00 0.00 O ATOM 642 CB LEU A 41 2.089 6.112 -5.463 1.00 0.00 C ATOM 643 CG LEU A 41 1.456 5.600 -6.767 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.607 4.365 -6.519 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.621 6.694 -7.415 1.00 0.00 C ATOM 0 H LEU A 41 1.475 4.337 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 41 3.692 4.687 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.290 6.322 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.587 7.059 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 41 2.263 5.323 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.173 4.027 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.229 3.574 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.191 4.607 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.179 6.317 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.171 7.000 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.256 7.551 -7.641 1.00 0.00 H new ATOM 657 N SER A 42 5.322 5.668 -3.962 1.00 0.00 N ATOM 658 CA SER A 42 6.351 6.317 -3.142 1.00 0.00 C ATOM 659 C SER A 42 6.111 6.130 -1.642 1.00 0.00 C ATOM 660 O SER A 42 5.102 5.570 -1.217 1.00 0.00 O ATOM 661 CB SER A 42 6.449 7.809 -3.479 1.00 0.00 C ATOM 662 OG SER A 42 6.996 7.996 -4.772 1.00 0.00 O ATOM 0 H SER A 42 5.690 4.958 -4.595 1.00 0.00 H new ATOM 0 HA SER A 42 7.296 5.830 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.460 8.264 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.071 8.314 -2.739 1.00 0.00 H new ATOM 0 HG SER A 42 7.198 8.945 -4.908 1.00 0.00 H new ATOM 863 N VAL A 56 3.438 4.552 7.130 1.00 0.00 N ATOM 864 CA VAL A 56 2.599 4.192 8.266 1.00 0.00 C ATOM 865 C VAL A 56 1.168 3.949 7.798 1.00 0.00 C ATOM 866 O VAL A 56 0.832 4.287 6.660 1.00 0.00 O ATOM 867 CB VAL A 56 2.598 5.293 9.358 1.00 0.00 C ATOM 868 CG1 VAL A 56 3.981 5.451 9.975 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.122 6.624 8.792 1.00 0.00 C ATOM 0 HA VAL A 56 3.013 3.283 8.702 1.00 0.00 H new ATOM 0 HB VAL A 56 1.904 4.981 10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.952 6.229 10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.286 4.509 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.696 5.728 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.131 7.378 9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.785 6.934 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.108 6.514 8.407 1.00 0.00 H new ATOM 879 N MET A 57 0.355 3.337 8.662 1.00 0.00 N ATOM 880 CA MET A 57 -1.068 3.082 8.390 1.00 0.00 C ATOM 881 C MET A 57 -1.258 1.934 7.398 1.00 0.00 C ATOM 882 O MET A 57 -2.059 1.029 7.633 1.00 0.00 O ATOM 883 CB MET A 57 -1.767 4.350 7.880 1.00 0.00 C ATOM 884 CG MET A 57 -3.230 4.149 7.510 1.00 0.00 C ATOM 885 SD MET A 57 -3.994 5.659 6.882 1.00 0.00 S ATOM 886 CE MET A 57 -3.784 6.759 8.283 1.00 0.00 C ATOM 0 H MET A 57 0.663 3.002 9.575 1.00 0.00 H new ATOM 0 HA MET A 57 -1.528 2.787 9.333 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.700 5.122 8.647 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.230 4.721 7.007 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.307 3.365 6.756 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.779 3.804 8.386 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.478 7.595 8.196 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.984 6.215 9.206 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.762 7.137 8.299 1.00 0.00 H new ATOM 896 N ILE A 58 -0.520 1.987 6.296 1.00 0.00 N ATOM 897 CA ILE A 58 -0.604 0.982 5.239 1.00 0.00 C ATOM 898 C ILE A 58 -0.290 -0.415 5.766 1.00 0.00 C ATOM 899 O ILE A 58 -1.048 -1.355 5.532 1.00 0.00 O ATOM 900 CB ILE A 58 0.360 1.321 4.079 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.020 2.665 3.457 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.344 0.226 3.019 1.00 0.00 C ATOM 903 CD1 ILE A 58 1.106 3.323 2.694 1.00 0.00 C ATOM 0 H ILE A 58 0.155 2.728 6.108 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.630 0.992 4.871 1.00 0.00 H new ATOM 0 HB ILE A 58 1.371 1.388 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.865 2.518 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.354 3.339 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.030 0.489 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.654 -0.718 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.664 0.123 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.761 4.271 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.945 3.503 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.426 2.670 1.882 1.00 0.00 H new ATOM 915 N ALA A 59 0.814 -0.543 6.489 1.00 0.00 N ATOM 916 CA ALA A 59 1.244 -1.840 6.990 1.00 0.00 C ATOM 917 C ALA A 59 0.244 -2.399 7.989 1.00 0.00 C ATOM 918 O ALA A 59 -0.137 -3.566 7.908 1.00 0.00 O ATOM 919 CB ALA A 59 2.623 -1.743 7.618 1.00 0.00 C ATOM 0 H ALA A 59 1.426 0.233 6.741 1.00 0.00 H new ATOM 0 HA ALA A 59 1.297 -2.524 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.925 -2.724 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.339 -1.399 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.596 -1.037 8.448 1.00 0.00 H new ATOM 925 N GLU A 60 -0.173 -1.561 8.926 1.00 0.00 N ATOM 926 CA GLU A 60 -1.146 -1.941 9.933 1.00 0.00 C ATOM 927 C GLU A 60 -2.449 -2.414 9.292 1.00 0.00 C ATOM 928 O GLU A 60 -2.971 -3.479 9.633 1.00 0.00 O ATOM 929 CB GLU A 60 -1.425 -0.761 10.872 1.00 0.00 C ATOM 930 CG GLU A 60 -0.188 -0.199 11.562 1.00 0.00 C ATOM 931 CD GLU A 60 0.539 0.865 10.751 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.160 0.527 9.727 1.00 0.00 O ATOM 933 OE2 GLU A 60 0.503 2.050 11.148 1.00 0.00 O ATOM 0 H GLU A 60 0.155 -0.599 9.008 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.728 -2.768 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.902 0.036 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.138 -1.079 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.481 0.226 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.502 -1.016 11.773 1.00 0.00 H new ATOM 940 N LEU A 61 -2.955 -1.615 8.356 1.00 0.00 N ATOM 941 CA LEU A 61 -4.181 -1.931 7.626 1.00 0.00 C ATOM 942 C LEU A 61 -4.105 -3.314 7.006 1.00 0.00 C ATOM 943 O LEU A 61 -4.991 -4.149 7.178 1.00 0.00 O ATOM 944 CB LEU A 61 -4.383 -0.909 6.508 1.00 0.00 C ATOM 945 CG LEU A 61 -5.663 -1.074 5.679 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.897 -0.904 6.547 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.681 -0.085 4.527 1.00 0.00 C ATOM 0 H LEU A 61 -2.527 -0.730 8.082 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.013 -1.902 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.383 0.088 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.527 -0.960 5.835 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.674 -2.084 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.791 -1.026 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.892 -1.655 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.894 0.091 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.596 -0.216 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.642 0.931 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.818 -0.259 3.884 1.00 0.00 H new ATOM 959 N LEU A 62 -3.022 -3.535 6.290 1.00 0.00 N ATOM 960 CA LEU A 62 -2.830 -4.765 5.532 1.00 0.00 C ATOM 961 C LEU A 62 -2.573 -5.970 6.435 1.00 0.00 C ATOM 962 O LEU A 62 -2.668 -7.109 5.986 1.00 0.00 O ATOM 963 CB LEU A 62 -1.684 -4.602 4.528 1.00 0.00 C ATOM 964 CG LEU A 62 -2.075 -4.029 3.157 1.00 0.00 C ATOM 965 CD1 LEU A 62 -2.795 -2.698 3.290 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.844 -3.876 2.282 1.00 0.00 C ATOM 0 H LEU A 62 -2.250 -2.873 6.214 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.758 -4.956 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.928 -3.953 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.219 -5.576 4.375 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.763 -4.732 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.055 -2.325 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.703 -2.833 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.144 -1.980 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.134 -3.469 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.138 -3.199 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.375 -4.850 2.141 1.00 0.00 H new ATOM 978 N ARG A 63 -2.252 -5.729 7.701 1.00 0.00 N ATOM 979 CA ARG A 63 -1.991 -6.826 8.628 1.00 0.00 C ATOM 980 C ARG A 63 -3.268 -7.322 9.290 1.00 0.00 C ATOM 981 O ARG A 63 -3.475 -8.528 9.421 1.00 0.00 O ATOM 982 CB ARG A 63 -0.983 -6.433 9.707 1.00 0.00 C ATOM 983 CG ARG A 63 0.440 -6.317 9.200 1.00 0.00 C ATOM 984 CD ARG A 63 1.433 -6.796 10.243 1.00 0.00 C ATOM 985 NE ARG A 63 1.304 -8.236 10.484 1.00 0.00 N ATOM 986 CZ ARG A 63 1.996 -8.913 11.400 1.00 0.00 C ATOM 987 NH1 ARG A 63 2.840 -8.284 12.207 1.00 0.00 N ATOM 988 NH2 ARG A 63 1.829 -10.226 11.511 1.00 0.00 N ATOM 0 H ARG A 63 -2.167 -4.797 8.106 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.567 -7.633 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.283 -5.479 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.015 -7.172 10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.554 -6.904 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.653 -5.280 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.447 -6.570 9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.274 -6.254 11.175 1.00 0.00 H new ATOM 0 HE ARG A 63 0.639 -8.756 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.963 -7.274 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.366 -8.810 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.174 -10.711 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.356 -10.750 12.210 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.125 -6.405 9.720 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.345 -6.793 10.404 1.00 0.00 C ATOM 1004 C GLU A 64 -6.508 -6.933 9.428 1.00 0.00 C ATOM 1005 O GLU A 64 -7.664 -7.034 9.836 1.00 0.00 O ATOM 1006 CB GLU A 64 -5.671 -5.809 11.533 1.00 0.00 C ATOM 1007 CG GLU A 64 -5.796 -4.357 11.108 1.00 0.00 C ATOM 1008 CD GLU A 64 -5.994 -3.439 12.299 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -7.144 -3.285 12.761 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.993 -2.883 12.799 1.00 0.00 O ATOM 0 H GLU A 64 -3.998 -5.399 9.608 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.183 -7.773 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.606 -6.116 12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.894 -5.883 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.900 -4.059 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.636 -4.250 10.422 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.193 -6.958 8.136 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.194 -7.238 7.116 1.00 0.00 C ATOM 1019 C PHE A 65 -7.388 -8.751 7.013 1.00 0.00 C ATOM 1020 O PHE A 65 -6.558 -9.451 6.436 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.761 -6.673 5.760 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.888 -6.070 4.967 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.219 -4.733 5.126 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.610 -6.831 4.061 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.247 -4.165 4.398 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -9.643 -6.268 3.330 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.960 -4.933 3.499 1.00 0.00 C ATOM 0 H PHE A 65 -5.255 -6.788 7.773 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.133 -6.761 7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.995 -5.914 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.302 -7.470 5.174 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.666 -4.127 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.365 -7.874 3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.492 -3.122 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.200 -6.871 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.764 -4.492 2.929 1.00 0.00 H new ATOM 1037 N PRO A 66 -8.489 -9.276 7.567 1.00 0.00 N ATOM 1038 CA PRO A 66 -8.693 -10.716 7.722 1.00 0.00 C ATOM 1039 C PRO A 66 -9.180 -11.395 6.446 1.00 0.00 C ATOM 1040 O PRO A 66 -9.298 -12.618 6.392 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.771 -10.813 8.815 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.118 -9.406 9.199 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.633 -8.523 8.085 1.00 0.00 C ATOM 0 HA PRO A 66 -7.759 -11.221 7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.650 -11.342 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.401 -11.370 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.193 -9.297 9.339 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.645 -9.134 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.398 -8.371 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.341 -7.537 8.445 1.00 0.00 H new ATOM 1051 N GLN A 67 -9.452 -10.606 5.420 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.037 -11.139 4.201 1.00 0.00 C ATOM 1053 C GLN A 67 -8.963 -11.485 3.173 1.00 0.00 C ATOM 1054 O GLN A 67 -9.155 -12.367 2.340 1.00 0.00 O ATOM 1055 CB GLN A 67 -11.022 -10.129 3.607 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.348 -10.740 3.177 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.197 -11.803 2.104 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.029 -12.985 2.400 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -12.270 -11.391 0.848 1.00 0.00 N ATOM 0 H GLN A 67 -9.279 -9.601 5.406 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.568 -12.056 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.215 -9.348 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.559 -9.648 2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.838 -11.178 4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.002 -9.950 2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.410 -10.402 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.186 -12.063 0.085 1.00 0.00 H new ATOM 1068 N PHE A 68 -7.827 -10.804 3.233 1.00 0.00 N ATOM 1069 CA PHE A 68 -6.805 -10.968 2.204 1.00 0.00 C ATOM 1070 C PHE A 68 -5.407 -11.110 2.777 1.00 0.00 C ATOM 1071 O PHE A 68 -5.066 -10.503 3.791 1.00 0.00 O ATOM 1072 CB PHE A 68 -6.807 -9.775 1.247 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.062 -9.629 0.437 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.299 -10.446 -0.655 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.000 -8.668 0.767 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -9.452 -10.308 -1.404 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -10.154 -8.524 0.022 1.00 0.00 C ATOM 1078 CZ PHE A 68 -10.380 -9.345 -1.065 1.00 0.00 C ATOM 0 H PHE A 68 -7.590 -10.141 3.971 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.058 -11.888 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.654 -8.863 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.960 -9.869 0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.574 -11.200 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.828 -8.023 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.626 -10.953 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.879 -7.770 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 68 -11.282 -9.233 -1.649 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.608 -11.923 2.108 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.170 -11.936 2.311 1.00 0.00 C ATOM 1090 C ASP A 69 -2.523 -11.529 0.996 1.00 0.00 C ATOM 1091 O ASP A 69 -1.888 -12.332 0.309 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.677 -13.315 2.758 1.00 0.00 C ATOM 1093 CG ASP A 69 -1.210 -13.313 3.154 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -0.884 -12.806 4.247 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -0.374 -13.832 2.383 1.00 0.00 O ATOM 0 H ASP A 69 -4.937 -12.591 1.411 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.899 -11.240 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.277 -13.655 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.830 -14.031 1.950 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.765 -10.285 0.614 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.356 -9.787 -0.691 1.00 0.00 C ATOM 1102 C TRP A 70 -0.879 -9.423 -0.740 1.00 0.00 C ATOM 1103 O TRP A 70 -0.220 -9.255 0.288 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.213 -8.592 -1.135 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.639 -7.654 -0.041 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.025 -7.423 1.159 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.784 -6.799 -0.073 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -3.740 -6.501 1.883 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.818 -6.097 1.145 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.791 -6.568 -1.012 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.816 -5.177 1.445 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.782 -5.652 -0.714 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.789 -4.968 0.507 1.00 0.00 C ATOM 0 H TRP A 70 -3.246 -9.597 1.193 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.516 -10.608 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.654 -8.024 -1.879 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.106 -8.973 -1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.112 -7.896 1.489 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.505 -6.171 2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.795 -7.096 -1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.823 -4.646 2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.563 -5.461 -1.435 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.579 -4.261 0.713 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.374 -9.307 -1.958 1.00 0.00 N ATOM 1125 CA GLN A 71 1.031 -9.041 -2.194 1.00 0.00 C ATOM 1126 C GLN A 71 1.282 -7.539 -2.256 1.00 0.00 C ATOM 1127 O GLN A 71 0.672 -6.828 -3.054 1.00 0.00 O ATOM 1128 CB GLN A 71 1.449 -9.732 -3.489 1.00 0.00 C ATOM 1129 CG GLN A 71 1.156 -11.225 -3.466 1.00 0.00 C ATOM 1130 CD GLN A 71 1.277 -11.878 -4.827 1.00 0.00 C ATOM 1131 OE1 GLN A 71 0.177 -11.923 -5.570 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 2.347 -12.347 -5.209 1.00 0.00 N flip ATOM 0 H GLN A 71 -0.929 -9.395 -2.809 1.00 0.00 H new ATOM 0 HA GLN A 71 1.631 -9.435 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.926 -9.274 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.515 -9.575 -3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.842 -11.713 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.149 -11.385 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.170 -12.293 -4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.411 -12.790 -6.126 1.00 0.00 H new ATOM 1141 N VAL A 72 2.172 -7.063 -1.396 1.00 0.00 N ATOM 1142 CA VAL A 72 2.408 -5.633 -1.245 1.00 0.00 C ATOM 1143 C VAL A 72 3.528 -5.158 -2.162 1.00 0.00 C ATOM 1144 O VAL A 72 4.641 -5.689 -2.129 1.00 0.00 O ATOM 1145 CB VAL A 72 2.772 -5.279 0.212 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.757 -3.772 0.424 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.834 -5.973 1.186 1.00 0.00 C ATOM 0 H VAL A 72 2.745 -7.649 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 72 1.481 -5.129 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 72 3.784 -5.636 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.017 -3.548 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.482 -3.304 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.762 -3.384 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.109 -5.709 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.809 -5.656 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.910 -7.053 1.057 1.00 0.00 H new ATOM 1157 N ALA A 73 3.227 -4.162 -2.977 1.00 0.00 N ATOM 1158 CA ALA A 73 4.209 -3.574 -3.867 1.00 0.00 C ATOM 1159 C ALA A 73 4.451 -2.117 -3.497 1.00 0.00 C ATOM 1160 O ALA A 73 3.546 -1.435 -3.017 1.00 0.00 O ATOM 1161 CB ALA A 73 3.739 -3.684 -5.304 1.00 0.00 C ATOM 0 H ALA A 73 2.300 -3.741 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 73 5.148 -4.117 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.483 -3.240 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.604 -4.734 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.791 -3.157 -5.418 1.00 0.00 H new ATOM 1167 N VAL A 74 5.666 -1.641 -3.720 1.00 0.00 N ATOM 1168 CA VAL A 74 6.021 -0.274 -3.374 1.00 0.00 C ATOM 1169 C VAL A 74 6.891 0.346 -4.466 1.00 0.00 C ATOM 1170 O VAL A 74 7.707 -0.335 -5.082 1.00 0.00 O ATOM 1171 CB VAL A 74 6.746 -0.220 -2.006 1.00 0.00 C ATOM 1172 CG1 VAL A 74 8.027 -1.047 -2.028 1.00 0.00 C ATOM 1173 CG2 VAL A 74 7.034 1.218 -1.595 1.00 0.00 C ATOM 0 H VAL A 74 6.423 -2.181 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 74 5.101 0.305 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 74 6.080 -0.656 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.514 -0.990 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.786 -2.086 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.699 -0.657 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.543 1.226 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.669 1.691 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.096 1.768 -1.514 1.00 0.00 H new ATOM 1183 N ALA A 75 6.682 1.625 -4.731 1.00 0.00 N ATOM 1184 CA ALA A 75 7.482 2.345 -5.712 1.00 0.00 C ATOM 1185 C ALA A 75 8.410 3.330 -5.015 1.00 0.00 C ATOM 1186 O ALA A 75 8.113 3.793 -3.916 1.00 0.00 O ATOM 1187 CB ALA A 75 6.584 3.071 -6.703 1.00 0.00 C ATOM 0 H ALA A 75 5.962 2.189 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 75 8.088 1.625 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.199 3.604 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.955 2.348 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.954 3.783 -6.169 1.00 0.00 H new ATOM 1193 N ASP A 76 9.529 3.642 -5.658 1.00 0.00 N ATOM 1194 CA ASP A 76 10.526 4.547 -5.090 1.00 0.00 C ATOM 1195 C ASP A 76 10.047 6.004 -5.086 1.00 0.00 C ATOM 1196 O ASP A 76 9.324 6.425 -4.185 1.00 0.00 O ATOM 1197 CB ASP A 76 11.865 4.415 -5.836 1.00 0.00 C ATOM 1198 CG ASP A 76 11.699 4.355 -7.345 1.00 0.00 C ATOM 1199 OD1 ASP A 76 11.626 5.426 -7.990 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.631 3.236 -7.891 1.00 0.00 O ATOM 0 H ASP A 76 9.771 3.279 -6.580 1.00 0.00 H new ATOM 0 HA ASP A 76 10.674 4.255 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.503 5.261 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.377 3.515 -5.496 1.00 0.00 H new ATOM 1205 N LEU A 77 10.438 6.770 -6.092 1.00 0.00 N ATOM 1206 CA LEU A 77 10.093 8.182 -6.157 1.00 0.00 C ATOM 1207 C LEU A 77 9.590 8.552 -7.544 1.00 0.00 C ATOM 1208 O LEU A 77 8.514 9.124 -7.690 1.00 0.00 O ATOM 1209 CB LEU A 77 11.304 9.047 -5.795 1.00 0.00 C ATOM 1210 CG LEU A 77 11.760 8.960 -4.335 1.00 0.00 C ATOM 1211 CD1 LEU A 77 13.025 9.774 -4.127 1.00 0.00 C ATOM 1212 CD2 LEU A 77 10.661 9.443 -3.400 1.00 0.00 C ATOM 0 H LEU A 77 10.997 6.436 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 77 9.297 8.368 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.138 8.761 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.068 10.086 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 77 11.974 7.917 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.337 9.702 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.816 9.388 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.832 10.817 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.005 9.373 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.416 10.480 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.774 8.823 -3.530 1.00 0.00 H new ATOM 1224 N GLU A 78 10.370 8.212 -8.558 1.00 0.00 N ATOM 1225 CA GLU A 78 10.025 8.534 -9.930 1.00 0.00 C ATOM 1226 C GLU A 78 8.943 7.594 -10.458 1.00 0.00 C ATOM 1227 O GLU A 78 8.096 7.992 -11.259 1.00 0.00 O ATOM 1228 CB GLU A 78 11.273 8.446 -10.815 1.00 0.00 C ATOM 1229 CG GLU A 78 12.238 9.621 -10.672 1.00 0.00 C ATOM 1230 CD GLU A 78 12.836 9.755 -9.280 1.00 0.00 C ATOM 1231 OE1 GLU A 78 13.289 8.735 -8.719 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.867 10.887 -8.750 1.00 0.00 O ATOM 0 H GLU A 78 11.252 7.710 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 78 9.634 9.551 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.806 7.525 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.959 8.375 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.045 9.507 -11.395 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.714 10.543 -10.923 1.00 0.00 H new ATOM 1239 N GLN A 79 8.968 6.349 -9.989 1.00 0.00 N ATOM 1240 CA GLN A 79 8.044 5.322 -10.477 1.00 0.00 C ATOM 1241 C GLN A 79 6.587 5.660 -10.162 1.00 0.00 C ATOM 1242 O GLN A 79 5.710 5.431 -10.990 1.00 0.00 O ATOM 1243 CB GLN A 79 8.385 3.954 -9.883 1.00 0.00 C ATOM 1244 CG GLN A 79 9.760 3.436 -10.272 1.00 0.00 C ATOM 1245 CD GLN A 79 9.934 3.256 -11.771 1.00 0.00 C ATOM 1246 OE1 GLN A 79 8.976 2.990 -12.498 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.167 3.377 -12.239 1.00 0.00 N ATOM 0 H GLN A 79 9.617 6.024 -9.272 1.00 0.00 H new ATOM 0 HA GLN A 79 8.160 5.289 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.326 4.016 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.633 3.233 -10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.518 4.128 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.934 2.481 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.934 3.598 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.350 3.249 -13.234 1.00 0.00 H new ATOM 1256 N SER A 80 6.339 6.206 -8.973 1.00 0.00 N ATOM 1257 CA SER A 80 4.979 6.476 -8.513 1.00 0.00 C ATOM 1258 C SER A 80 4.193 7.335 -9.504 1.00 0.00 C ATOM 1259 O SER A 80 3.086 6.972 -9.906 1.00 0.00 O ATOM 1260 CB SER A 80 5.022 7.158 -7.148 1.00 0.00 C ATOM 1261 OG SER A 80 5.868 8.290 -7.175 1.00 0.00 O ATOM 0 H SER A 80 7.066 6.471 -8.308 1.00 0.00 H new ATOM 0 HA SER A 80 4.462 5.520 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.016 7.458 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.376 6.453 -6.396 1.00 0.00 H new ATOM 0 HG SER A 80 6.538 8.214 -6.464 1.00 0.00 H new ATOM 1267 N GLU A 81 4.770 8.458 -9.907 1.00 0.00 N ATOM 1268 CA GLU A 81 4.089 9.375 -10.809 1.00 0.00 C ATOM 1269 C GLU A 81 3.927 8.753 -12.192 1.00 0.00 C ATOM 1270 O GLU A 81 2.936 8.996 -12.878 1.00 0.00 O ATOM 1271 CB GLU A 81 4.843 10.700 -10.915 1.00 0.00 C ATOM 1272 CG GLU A 81 4.090 11.756 -11.707 1.00 0.00 C ATOM 1273 CD GLU A 81 4.820 13.079 -11.759 1.00 0.00 C ATOM 1274 OE1 GLU A 81 4.813 13.802 -10.743 1.00 0.00 O ATOM 1275 OE2 GLU A 81 5.390 13.406 -12.818 1.00 0.00 O ATOM 0 H GLU A 81 5.704 8.755 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 81 3.100 9.573 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.041 11.079 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.810 10.523 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.928 11.395 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.107 11.906 -11.261 1.00 0.00 H new ATOM 1282 N ALA A 82 4.898 7.941 -12.592 1.00 0.00 N ATOM 1283 CA ALA A 82 4.839 7.263 -13.880 1.00 0.00 C ATOM 1284 C ALA A 82 3.700 6.242 -13.894 1.00 0.00 C ATOM 1285 O ALA A 82 2.986 6.101 -14.892 1.00 0.00 O ATOM 1286 CB ALA A 82 6.172 6.599 -14.188 1.00 0.00 C ATOM 0 H ALA A 82 5.734 7.737 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 82 4.640 8.001 -14.657 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.114 6.096 -15.153 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.956 7.355 -14.220 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.403 5.869 -13.412 1.00 0.00 H new ATOM 1292 N ILE A 83 3.533 5.540 -12.779 1.00 0.00 N ATOM 1293 CA ILE A 83 2.415 4.619 -12.609 1.00 0.00 C ATOM 1294 C ILE A 83 1.103 5.398 -12.557 1.00 0.00 C ATOM 1295 O ILE A 83 0.084 4.973 -13.104 1.00 0.00 O ATOM 1296 CB ILE A 83 2.568 3.773 -11.322 1.00 0.00 C ATOM 1297 CG1 ILE A 83 3.854 2.944 -11.383 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.357 2.866 -11.125 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.147 2.175 -10.112 1.00 0.00 C ATOM 0 H ILE A 83 4.160 5.591 -11.976 1.00 0.00 H new ATOM 0 HA ILE A 83 2.408 3.941 -13.462 1.00 0.00 H new ATOM 0 HB ILE A 83 2.629 4.450 -10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.783 2.241 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.693 3.607 -11.597 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.485 2.280 -10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.457 3.474 -11.041 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.263 2.194 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.073 1.613 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.251 2.872 -9.281 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.328 1.486 -9.907 1.00 0.00 H new ATOM 1311 N GLY A 84 1.152 6.561 -11.915 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.008 7.425 -11.834 1.00 0.00 C ATOM 1313 C GLY A 84 -0.425 7.958 -13.190 1.00 0.00 C ATOM 1314 O GLY A 84 -1.592 8.266 -13.408 1.00 0.00 O ATOM 0 H GLY A 84 1.983 6.921 -11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.838 6.874 -11.392 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.210 8.261 -11.169 1.00 0.00 H new ATOM 1318 N ASP A 85 0.537 8.076 -14.090 1.00 0.00 N ATOM 1319 CA ASP A 85 0.293 8.556 -15.449 1.00 0.00 C ATOM 1320 C ASP A 85 -0.372 7.470 -16.276 1.00 0.00 C ATOM 1321 O ASP A 85 -1.218 7.747 -17.126 1.00 0.00 O ATOM 1322 CB ASP A 85 1.619 8.947 -16.102 1.00 0.00 C ATOM 1323 CG ASP A 85 1.458 9.557 -17.485 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.352 8.792 -18.470 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.468 10.802 -17.597 1.00 0.00 O ATOM 0 H ASP A 85 1.512 7.843 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.364 9.424 -15.403 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.136 9.658 -15.458 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.253 8.064 -16.175 1.00 0.00 H new ATOM 1330 N ARG A 86 0.016 6.234 -15.984 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.429 5.051 -16.726 1.00 0.00 C ATOM 1332 C ARG A 86 -1.939 5.040 -16.955 1.00 0.00 C ATOM 1333 O ARG A 86 -2.403 4.674 -18.033 1.00 0.00 O ATOM 1334 CB ARG A 86 -0.001 3.791 -15.972 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.177 2.495 -16.752 1.00 0.00 C ATOM 1336 CD ARG A 86 0.515 2.546 -18.110 1.00 0.00 C ATOM 1337 NE ARG A 86 1.881 3.070 -18.029 1.00 0.00 N ATOM 1338 CZ ARG A 86 2.980 2.343 -18.231 1.00 0.00 C ATOM 1339 NH1 ARG A 86 2.897 1.035 -18.447 1.00 0.00 N ATOM 1340 NH2 ARG A 86 4.167 2.932 -18.199 1.00 0.00 N ATOM 0 H ARG A 86 0.655 6.018 -15.219 1.00 0.00 H new ATOM 0 HA ARG A 86 0.040 5.079 -17.709 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.047 3.891 -15.690 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.575 3.724 -15.048 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.225 1.665 -16.171 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.240 2.299 -16.894 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.539 1.544 -18.539 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.069 3.169 -18.788 1.00 0.00 H new ATOM 0 HE ARG A 86 1.999 4.058 -17.803 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.986 0.577 -18.460 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.745 0.489 -18.600 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.234 3.934 -18.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.013 2.383 -18.353 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.702 5.442 -15.949 1.00 0.00 N ATOM 1355 CA PHE A 87 -4.153 5.523 -16.097 1.00 0.00 C ATOM 1356 C PHE A 87 -4.676 6.868 -15.602 1.00 0.00 C ATOM 1357 O PHE A 87 -5.884 7.100 -15.569 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.849 4.365 -15.371 1.00 0.00 C ATOM 1359 CG PHE A 87 -4.531 4.269 -13.906 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -5.286 4.960 -12.975 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -3.485 3.478 -13.463 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -4.999 4.871 -11.629 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -3.193 3.385 -12.118 1.00 0.00 C ATOM 1364 CZ PHE A 87 -3.955 4.079 -11.200 1.00 0.00 C ATOM 0 H PHE A 87 -2.349 5.715 -15.032 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.385 5.439 -17.159 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.927 4.474 -15.490 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.568 3.429 -15.853 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.109 5.576 -13.306 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.891 2.928 -14.178 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.591 5.421 -10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.370 2.771 -11.784 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.734 4.002 -10.146 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.744 7.742 -15.227 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.054 9.112 -14.815 1.00 0.00 C ATOM 1376 C ASN A 88 -4.878 9.132 -13.529 1.00 0.00 C ATOM 1377 O ASN A 88 -6.107 9.227 -13.559 1.00 0.00 O ATOM 1378 CB ASN A 88 -4.775 9.864 -15.939 1.00 0.00 C ATOM 1379 CG ASN A 88 -4.719 11.369 -15.775 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -4.682 11.896 -14.661 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -4.696 12.074 -16.894 1.00 0.00 N ATOM 0 H ASN A 88 -2.749 7.520 -15.200 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.112 9.622 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.329 9.591 -16.895 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.817 9.546 -15.971 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.646 13.092 -16.854 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.728 11.600 -17.796 1.00 0.00 H new ATOM 1388 N VAL A 89 -4.186 9.009 -12.400 1.00 0.00 N ATOM 1389 CA VAL A 89 -4.831 9.059 -11.087 1.00 0.00 C ATOM 1390 C VAL A 89 -5.348 10.467 -10.785 1.00 0.00 C ATOM 1391 O VAL A 89 -6.525 10.765 -10.986 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.870 8.634 -9.953 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -4.626 8.461 -8.642 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -3.126 7.363 -10.315 1.00 0.00 C ATOM 0 H VAL A 89 -3.176 8.874 -12.366 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.664 8.357 -11.126 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.134 9.428 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.931 8.162 -7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.099 9.404 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.390 7.693 -8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.457 7.088 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.841 6.558 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.544 7.528 -11.221 1.00 0.00 H new ATOM 1404 N ARG A 90 -4.457 11.328 -10.301 1.00 0.00 N ATOM 1405 CA ARG A 90 -4.818 12.704 -9.973 1.00 0.00 C ATOM 1406 C ARG A 90 -3.558 13.566 -9.872 1.00 0.00 C ATOM 1407 O ARG A 90 -3.615 14.716 -9.446 1.00 0.00 O ATOM 1408 CB ARG A 90 -5.583 12.748 -8.640 1.00 0.00 C ATOM 1409 CG ARG A 90 -6.240 14.091 -8.351 1.00 0.00 C ATOM 1410 CD ARG A 90 -7.716 14.089 -8.709 1.00 0.00 C ATOM 1411 NE ARG A 90 -8.516 13.374 -7.713 1.00 0.00 N ATOM 1412 CZ ARG A 90 -9.804 13.062 -7.860 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -10.441 13.331 -8.993 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -10.446 12.462 -6.867 1.00 0.00 N ATOM 0 H ARG A 90 -3.479 11.097 -10.127 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.458 13.095 -10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.350 11.973 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.895 12.509 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.123 14.332 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.731 14.873 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.071 15.116 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.852 13.625 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.056 13.095 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.945 13.781 -9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.426 13.088 -9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.954 12.243 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.431 12.219 -6.970 1.00 0.00 H new ATOM 1428 N ARG A 91 -2.422 12.995 -10.289 1.00 0.00 N ATOM 1429 CA ARG A 91 -1.112 13.635 -10.118 1.00 0.00 C ATOM 1430 C ARG A 91 -0.755 13.739 -8.639 1.00 0.00 C ATOM 1431 O ARG A 91 -0.027 14.638 -8.225 1.00 0.00 O ATOM 1432 CB ARG A 91 -1.078 15.019 -10.779 1.00 0.00 C ATOM 1433 CG ARG A 91 -1.078 14.966 -12.294 1.00 0.00 C ATOM 1434 CD ARG A 91 0.187 14.308 -12.820 1.00 0.00 C ATOM 1435 NE ARG A 91 0.077 13.968 -14.234 1.00 0.00 N ATOM 1436 CZ ARG A 91 1.007 13.307 -14.920 1.00 0.00 C ATOM 1437 NH1 ARG A 91 2.164 12.996 -14.347 1.00 0.00 N ATOM 1438 NH2 ARG A 91 0.782 12.975 -16.182 1.00 0.00 N ATOM 0 H ARG A 91 -2.384 12.086 -10.750 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.368 13.010 -10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.941 15.594 -10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.189 15.552 -10.442 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.951 14.413 -12.641 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.160 15.976 -12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.033 14.979 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.393 13.405 -12.245 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.767 14.255 -14.729 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.342 13.264 -13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.875 12.489 -14.875 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.102 13.226 -16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.492 12.469 -16.711 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.263 12.800 -7.853 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.957 12.722 -6.431 1.00 0.00 C ATOM 1454 C PHE A 92 -0.659 11.278 -6.042 1.00 0.00 C ATOM 1455 O PHE A 92 -1.219 10.349 -6.628 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.122 13.260 -5.588 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.281 14.756 -5.638 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -1.483 15.575 -4.856 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -3.226 15.341 -6.464 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -1.623 16.948 -4.897 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -3.371 16.714 -6.511 1.00 0.00 C ATOM 1462 CZ PHE A 92 -2.568 17.519 -5.726 1.00 0.00 C ATOM 0 H PHE A 92 -1.897 12.072 -8.182 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.079 13.338 -6.236 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.047 12.796 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.976 12.956 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.742 15.134 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.857 14.716 -7.079 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.994 17.574 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.111 17.158 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.679 18.593 -5.761 1.00 0.00 H new ATOM 1472 N PRO A 93 0.246 11.071 -5.072 1.00 0.00 N ATOM 1473 CA PRO A 93 0.587 9.736 -4.575 1.00 0.00 C ATOM 1474 C PRO A 93 -0.561 9.110 -3.789 1.00 0.00 C ATOM 1475 O PRO A 93 -1.216 9.781 -2.991 1.00 0.00 O ATOM 1476 CB PRO A 93 1.794 9.977 -3.655 1.00 0.00 C ATOM 1477 CG PRO A 93 2.242 11.374 -3.934 1.00 0.00 C ATOM 1478 CD PRO A 93 1.020 12.116 -4.388 1.00 0.00 C ATOM 0 HA PRO A 93 0.797 9.044 -5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.518 9.856 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.591 9.262 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.668 11.833 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.016 11.390 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.471 12.544 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.271 12.939 -5.058 1.00 0.00 H new ATOM 1486 N ALA A 94 -0.802 7.827 -4.018 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.889 7.124 -3.357 1.00 0.00 C ATOM 1488 C ALA A 94 -1.569 5.641 -3.226 1.00 0.00 C ATOM 1489 O ALA A 94 -0.479 5.197 -3.590 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.193 7.321 -4.120 1.00 0.00 C ATOM 0 H ALA A 94 -0.256 7.251 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.007 7.539 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.996 6.788 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.433 8.383 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.084 6.933 -5.133 1.00 0.00 H new ATOM 1496 N THR A 95 -2.515 4.885 -2.695 1.00 0.00 N ATOM 1497 CA THR A 95 -2.367 3.446 -2.563 1.00 0.00 C ATOM 1498 C THR A 95 -3.428 2.747 -3.413 1.00 0.00 C ATOM 1499 O THR A 95 -4.620 2.872 -3.146 1.00 0.00 O ATOM 1500 CB THR A 95 -2.517 3.032 -1.088 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.831 3.975 -0.254 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.952 1.643 -0.847 1.00 0.00 C ATOM 0 H THR A 95 -3.402 5.249 -2.345 1.00 0.00 H new ATOM 0 HA THR A 95 -1.376 3.153 -2.908 1.00 0.00 H new ATOM 0 HB THR A 95 -3.579 3.018 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.928 3.712 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.072 1.378 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.484 0.921 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.893 1.631 -1.105 1.00 0.00 H new ATOM 1510 N LEU A 96 -2.993 2.018 -4.431 1.00 0.00 N ATOM 1511 CA LEU A 96 -3.909 1.464 -5.423 1.00 0.00 C ATOM 1512 C LEU A 96 -4.230 -0.003 -5.141 1.00 0.00 C ATOM 1513 O LEU A 96 -3.327 -0.821 -4.985 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.295 1.599 -6.817 1.00 0.00 C ATOM 1515 CG LEU A 96 -2.873 3.011 -7.220 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.096 2.974 -8.523 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.088 3.915 -7.358 1.00 0.00 C ATOM 0 H LEU A 96 -2.011 1.795 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.842 2.025 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.422 0.948 -6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.015 1.232 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.230 3.415 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.801 3.986 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.206 2.358 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.723 2.551 -9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.766 4.916 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.754 3.515 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.616 3.963 -6.405 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.518 -0.331 -5.105 1.00 0.00 N ATOM 1530 CA VAL A 97 -5.966 -1.697 -4.837 1.00 0.00 C ATOM 1531 C VAL A 97 -6.264 -2.442 -6.137 1.00 0.00 C ATOM 1532 O VAL A 97 -7.072 -1.987 -6.954 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.233 -1.713 -3.953 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -7.683 -3.140 -3.667 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -6.993 -0.961 -2.655 1.00 0.00 C ATOM 0 H VAL A 97 -6.276 0.334 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.154 -2.196 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.029 -1.210 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.577 -3.122 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.907 -3.646 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.888 -3.675 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.898 -0.985 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.176 -1.432 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.732 0.074 -2.877 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.627 -3.591 -6.315 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.794 -4.378 -7.522 1.00 0.00 C ATOM 1547 C PHE A 98 -6.316 -5.768 -7.194 1.00 0.00 C ATOM 1548 O PHE A 98 -5.756 -6.475 -6.354 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.471 -4.487 -8.281 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.974 -3.171 -8.793 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.212 -2.345 -7.987 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.271 -2.757 -10.078 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.763 -1.127 -8.451 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.820 -1.540 -10.548 1.00 0.00 C ATOM 1555 CZ PHE A 98 -3.065 -0.726 -9.736 1.00 0.00 C ATOM 0 H PHE A 98 -4.987 -3.998 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.523 -3.871 -8.153 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.718 -4.922 -7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.596 -5.172 -9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.966 -2.658 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.862 -3.392 -10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.175 -0.487 -7.809 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.060 -1.227 -11.553 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.709 0.225 -10.104 1.00 0.00 H new ATOM 1565 N THR A 99 -7.398 -6.134 -7.851 1.00 0.00 N ATOM 1566 CA THR A 99 -7.987 -7.456 -7.717 1.00 0.00 C ATOM 1567 C THR A 99 -8.516 -7.922 -9.069 1.00 0.00 C ATOM 1568 O THR A 99 -9.012 -7.108 -9.850 1.00 0.00 O ATOM 1569 CB THR A 99 -9.133 -7.459 -6.681 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.917 -6.263 -6.813 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.594 -7.567 -5.260 1.00 0.00 C ATOM 0 H THR A 99 -7.897 -5.522 -8.496 1.00 0.00 H new ATOM 0 HA THR A 99 -7.212 -8.138 -7.368 1.00 0.00 H new ATOM 0 HB THR A 99 -9.760 -8.330 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.642 -6.273 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.425 -7.567 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.029 -8.493 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.942 -6.719 -5.053 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.373 -9.217 -9.359 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.818 -9.792 -10.633 1.00 0.00 C ATOM 1581 C ASP A 100 -8.013 -9.228 -11.797 1.00 0.00 C ATOM 1582 O ASP A 100 -8.442 -9.293 -12.951 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.309 -9.534 -10.870 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.205 -10.332 -9.945 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.370 -11.549 -10.163 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.759 -9.739 -8.999 1.00 0.00 O ATOM 0 H ASP A 100 -7.949 -9.893 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.654 -10.868 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.513 -8.472 -10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.554 -9.779 -11.904 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.837 -8.688 -11.494 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.036 -8.037 -12.513 1.00 0.00 C ATOM 1593 C GLY A 101 -6.633 -6.707 -12.941 1.00 0.00 C ATOM 1594 O GLY A 101 -6.264 -6.152 -13.978 1.00 0.00 O ATOM 0 H GLY A 101 -6.425 -8.690 -10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.027 -7.876 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.950 -8.692 -13.380 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.575 -6.208 -12.148 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.232 -4.941 -12.435 1.00 0.00 C ATOM 1600 C LYS A 102 -8.081 -3.975 -11.265 1.00 0.00 C ATOM 1601 O LYS A 102 -7.976 -4.397 -10.111 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.714 -5.181 -12.729 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.953 -5.985 -13.993 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.385 -6.482 -14.080 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.623 -7.241 -15.376 1.00 0.00 C ATOM 1606 NZ LYS A 102 -10.643 -8.346 -15.568 1.00 0.00 N ATOM 0 H LYS A 102 -7.901 -6.666 -11.297 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.758 -4.495 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.165 -5.702 -11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.220 -4.220 -12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.728 -5.369 -14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.271 -6.835 -14.018 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.601 -7.130 -13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.071 -5.637 -14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.634 -7.650 -15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.559 -6.550 -16.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.967 -8.968 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.714 -7.948 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.562 -8.895 -14.688 1.00 0.00 H new ATOM 1620 N LEU A 103 -8.056 -2.684 -11.566 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.974 -1.661 -10.532 1.00 0.00 C ATOM 1622 C LEU A 103 -9.356 -1.417 -9.942 1.00 0.00 C ATOM 1623 O LEU A 103 -10.283 -1.033 -10.655 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.407 -0.360 -11.109 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.305 0.804 -10.121 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.293 0.506 -9.029 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.949 2.087 -10.849 1.00 0.00 C ATOM 0 H LEU A 103 -8.091 -2.320 -12.518 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.305 -2.007 -9.745 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.414 -0.562 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.032 -0.050 -11.946 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.278 0.934 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.241 1.350 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.598 -0.388 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.313 0.342 -9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.880 2.905 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.990 1.965 -11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.720 2.314 -11.585 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.499 -1.651 -8.646 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.794 -1.508 -8.000 1.00 0.00 C ATOM 1641 C ARG A 104 -10.936 -0.151 -7.326 1.00 0.00 C ATOM 1642 O ARG A 104 -12.047 0.348 -7.150 1.00 0.00 O ATOM 1643 CB ARG A 104 -11.010 -2.626 -6.984 1.00 0.00 C ATOM 1644 CG ARG A 104 -12.157 -3.556 -7.342 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.882 -4.320 -8.626 1.00 0.00 C ATOM 1646 NE ARG A 104 -13.004 -5.172 -9.002 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.952 -6.501 -9.043 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -11.842 -7.138 -8.693 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.017 -7.192 -9.420 1.00 0.00 N ATOM 0 H ARG A 104 -8.742 -1.938 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.558 -1.579 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.093 -3.209 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.202 -2.185 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.321 -4.261 -6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.074 -2.977 -7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.676 -3.615 -9.431 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.988 -4.931 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.885 -4.721 -9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.024 -6.609 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.807 -8.157 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.875 -6.705 -9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.979 -8.211 -9.452 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.815 0.442 -6.942 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.858 1.742 -6.305 1.00 0.00 C ATOM 1665 C GLY A 105 -8.551 2.103 -5.632 1.00 0.00 C ATOM 1666 O GLY A 105 -7.548 1.411 -5.804 1.00 0.00 O ATOM 0 H GLY A 105 -8.881 0.049 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.100 2.500 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.659 1.754 -5.566 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.565 3.182 -4.859 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.367 3.658 -4.188 1.00 0.00 C ATOM 1672 C ALA A 106 -7.692 4.158 -2.783 1.00 0.00 C ATOM 1673 O ALA A 106 -8.774 4.697 -2.538 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.714 4.768 -4.999 1.00 0.00 C ATOM 0 H ALA A 106 -9.398 3.744 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.671 2.823 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.818 5.115 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.443 4.388 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.413 5.597 -5.110 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.756 3.975 -1.867 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.924 4.442 -0.498 1.00 0.00 C ATOM 1682 C LEU A 107 -6.666 5.940 -0.408 1.00 0.00 C ATOM 1683 O LEU A 107 -5.525 6.395 -0.502 1.00 0.00 O ATOM 1684 CB LEU A 107 -5.986 3.707 0.469 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.429 2.311 0.917 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -7.820 2.357 1.531 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -6.383 1.325 -0.236 1.00 0.00 C ATOM 0 H LEU A 107 -5.869 3.505 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.954 4.230 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.008 3.620 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.857 4.326 1.357 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.730 1.968 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.114 1.354 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.814 3.018 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.531 2.731 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.703 0.343 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.049 1.663 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.365 1.260 -0.619 1.00 0.00 H new ATOM 1699 N SER A 108 -7.733 6.701 -0.250 1.00 0.00 N ATOM 1700 CA SER A 108 -7.623 8.134 -0.057 1.00 0.00 C ATOM 1701 C SER A 108 -7.611 8.453 1.434 1.00 0.00 C ATOM 1702 O SER A 108 -8.659 8.485 2.080 1.00 0.00 O ATOM 1703 CB SER A 108 -8.782 8.845 -0.753 1.00 0.00 C ATOM 1704 OG SER A 108 -8.860 8.460 -2.115 1.00 0.00 O ATOM 0 H SER A 108 -8.690 6.348 -0.252 1.00 0.00 H new ATOM 0 HA SER A 108 -6.690 8.488 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.718 8.606 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.648 9.924 -0.682 1.00 0.00 H new ATOM 0 HG SER A 108 -9.609 8.924 -2.544 1.00 0.00 H new ATOM 1710 N GLY A 109 -6.417 8.656 1.979 1.00 0.00 N ATOM 1711 CA GLY A 109 -6.277 8.910 3.402 1.00 0.00 C ATOM 1712 C GLY A 109 -6.678 10.320 3.788 1.00 0.00 C ATOM 1713 O GLY A 109 -5.836 11.124 4.186 1.00 0.00 O ATOM 0 H GLY A 109 -5.540 8.649 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.889 8.198 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.242 8.737 3.697 1.00 0.00 H new ATOM 1717 N ILE A 110 -7.963 10.622 3.658 1.00 0.00 N ATOM 1718 CA ILE A 110 -8.488 11.929 4.029 1.00 0.00 C ATOM 1719 C ILE A 110 -9.488 11.797 5.173 1.00 0.00 C ATOM 1720 O ILE A 110 -10.082 12.780 5.612 1.00 0.00 O ATOM 1721 CB ILE A 110 -9.170 12.634 2.835 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -10.305 11.769 2.279 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -8.150 12.951 1.747 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -11.095 12.437 1.178 1.00 0.00 C ATOM 0 H ILE A 110 -8.664 9.976 3.296 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.641 12.536 4.348 1.00 0.00 H new ATOM 0 HB ILE A 110 -9.597 13.574 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.887 10.837 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.982 11.507 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -8.649 13.447 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -7.379 13.607 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.692 12.026 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.881 11.764 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.543 13.355 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.431 12.674 0.346 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.669 10.574 5.650 1.00 0.00 N ATOM 1737 CA HIS A 111 -10.597 10.299 6.739 1.00 0.00 C ATOM 1738 C HIS A 111 -10.039 9.202 7.638 1.00 0.00 C ATOM 1739 O HIS A 111 -9.272 8.355 7.181 1.00 0.00 O ATOM 1740 CB HIS A 111 -11.974 9.890 6.196 1.00 0.00 C ATOM 1741 CG HIS A 111 -12.786 11.035 5.678 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -13.343 11.058 4.420 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -13.152 12.195 6.268 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -14.014 12.179 4.259 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -13.916 12.891 5.366 1.00 0.00 N ATOM 0 H HIS A 111 -9.182 9.750 5.297 1.00 0.00 H new ATOM 0 HA HIS A 111 -10.719 11.211 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.837 9.163 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -12.532 9.390 6.988 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -12.891 12.515 7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.554 12.468 3.370 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -14.338 13.806 5.524 1.00 0.00 H new ATOM 1754 N PRO A 112 -10.405 9.211 8.930 1.00 0.00 N ATOM 1755 CA PRO A 112 -9.932 8.222 9.902 1.00 0.00 C ATOM 1756 C PRO A 112 -10.541 6.836 9.682 1.00 0.00 C ATOM 1757 O PRO A 112 -11.343 6.626 8.767 1.00 0.00 O ATOM 1758 CB PRO A 112 -10.379 8.792 11.260 1.00 0.00 C ATOM 1759 CG PRO A 112 -10.829 10.188 10.980 1.00 0.00 C ATOM 1760 CD PRO A 112 -11.295 10.193 9.556 1.00 0.00 C ATOM 0 HA PRO A 112 -8.855 8.074 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -11.187 8.198 11.688 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -9.560 8.781 11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.633 10.482 11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -10.015 10.897 11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -12.343 9.904 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -11.198 11.178 9.100 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.154 5.898 10.537 1.00 0.00 N ATOM 1769 CA TRP A 113 -10.613 4.520 10.438 1.00 0.00 C ATOM 1770 C TRP A 113 -12.093 4.421 10.802 1.00 0.00 C ATOM 1771 O TRP A 113 -12.452 4.445 11.978 1.00 0.00 O ATOM 1772 CB TRP A 113 -9.778 3.621 11.359 1.00 0.00 C ATOM 1773 CG TRP A 113 -10.026 2.149 11.174 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.201 1.478 11.374 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.070 1.164 10.763 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -11.035 0.144 11.100 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.737 -0.077 10.730 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.716 1.207 10.419 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.097 -1.257 10.363 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -7.083 0.034 10.059 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.773 -1.184 10.033 1.00 0.00 C ATOM 0 H TRP A 113 -9.517 6.070 11.314 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.489 4.184 9.408 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -8.721 3.825 11.186 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -9.988 3.886 12.395 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.125 1.932 11.700 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.762 -0.568 11.162 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.174 2.141 10.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.628 -2.197 10.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -6.037 0.056 9.793 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.248 -2.084 9.746 1.00 0.00 H new ATOM 1792 N ALA A 114 -12.937 4.333 9.782 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.375 4.175 9.971 1.00 0.00 C ATOM 1794 C ALA A 114 -15.060 3.933 8.636 1.00 0.00 C ATOM 1795 O ALA A 114 -15.856 3.008 8.492 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.979 5.399 10.653 1.00 0.00 C ATOM 0 H ALA A 114 -12.647 4.369 8.805 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.535 3.311 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.052 5.252 10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.513 5.539 11.629 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.804 6.282 10.038 1.00 0.00 H new ATOM 1802 N GLU A 115 -14.714 4.755 7.648 1.00 0.00 N ATOM 1803 CA GLU A 115 -15.351 4.698 6.334 1.00 0.00 C ATOM 1804 C GLU A 115 -14.868 3.504 5.511 1.00 0.00 C ATOM 1805 O GLU A 115 -15.341 3.276 4.399 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.114 6.005 5.577 1.00 0.00 C ATOM 1807 CG GLU A 115 -15.919 7.165 6.137 1.00 0.00 C ATOM 1808 CD GLU A 115 -15.561 8.493 5.514 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -15.505 8.582 4.274 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -15.332 9.455 6.275 1.00 0.00 O ATOM 0 H GLU A 115 -13.993 5.471 7.733 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.421 4.565 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -14.053 6.254 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -15.372 5.863 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.980 6.972 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.761 7.222 7.214 1.00 0.00 H new ATOM 1817 N LEU A 116 -13.943 2.733 6.073 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.457 1.521 5.422 1.00 0.00 C ATOM 1819 C LEU A 116 -14.600 0.545 5.180 1.00 0.00 C ATOM 1820 O LEU A 116 -14.629 -0.143 4.164 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.370 0.855 6.271 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.998 1.522 6.210 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -10.071 0.919 7.251 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.399 1.358 4.823 1.00 0.00 C ATOM 0 H LEU A 116 -13.514 2.926 6.978 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.029 1.802 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.702 0.838 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.267 -0.182 5.952 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.117 2.585 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.097 1.405 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.494 1.067 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.956 -0.148 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.421 1.837 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.291 0.297 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.055 1.822 4.086 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.550 0.514 6.104 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.691 -0.385 6.004 1.00 0.00 C ATOM 1838 C LEU A 117 -17.500 -0.111 4.739 1.00 0.00 C ATOM 1839 O LEU A 117 -17.919 -1.038 4.045 1.00 0.00 O ATOM 1840 CB LEU A 117 -17.582 -0.257 7.245 1.00 0.00 C ATOM 1841 CG LEU A 117 -17.137 -1.069 8.472 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.041 -2.546 8.126 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.810 -0.558 9.020 1.00 0.00 C ATOM 0 H LEU A 117 -15.553 1.105 6.936 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.311 -1.405 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -17.632 0.795 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -18.593 -0.563 6.977 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.890 -0.943 9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -16.725 -3.106 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.016 -2.907 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.314 -2.686 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.522 -1.152 9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -15.042 -0.642 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.916 0.486 9.314 1.00 0.00 H new ATOM 1855 N THR A 118 -17.697 1.162 4.430 1.00 0.00 N ATOM 1856 CA THR A 118 -18.450 1.545 3.245 1.00 0.00 C ATOM 1857 C THR A 118 -17.581 1.453 1.985 1.00 0.00 C ATOM 1858 O THR A 118 -18.017 0.930 0.957 1.00 0.00 O ATOM 1859 CB THR A 118 -19.012 2.973 3.391 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.748 3.078 4.618 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.925 3.331 2.225 1.00 0.00 C ATOM 0 H THR A 118 -17.347 1.945 4.982 1.00 0.00 H new ATOM 0 HA THR A 118 -19.282 0.848 3.144 1.00 0.00 H new ATOM 0 HB THR A 118 -18.172 3.668 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 118 -20.103 3.987 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.305 4.344 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.364 3.273 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.761 2.632 2.189 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.345 1.934 2.082 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.439 1.968 0.937 1.00 0.00 C ATOM 1871 C LEU A 119 -15.093 0.565 0.445 1.00 0.00 C ATOM 1872 O LEU A 119 -15.186 0.278 -0.750 1.00 0.00 O ATOM 1873 CB LEU A 119 -14.155 2.722 1.292 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.332 4.213 1.595 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -13.001 4.841 1.978 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.935 4.932 0.398 1.00 0.00 C ATOM 0 H LEU A 119 -15.947 2.307 2.944 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.956 2.490 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.701 2.244 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.452 2.617 0.466 1.00 0.00 H new ATOM 0 HG LEU A 119 -15.016 4.314 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -13.146 5.900 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.606 4.345 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.295 4.729 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.054 5.990 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.275 4.822 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.909 4.500 0.167 1.00 0.00 H new ATOM 1888 N MET A 120 -14.712 -0.316 1.366 1.00 0.00 N ATOM 1889 CA MET A 120 -14.281 -1.664 1.001 1.00 0.00 C ATOM 1890 C MET A 120 -15.445 -2.491 0.469 1.00 0.00 C ATOM 1891 O MET A 120 -15.238 -3.457 -0.255 1.00 0.00 O ATOM 1892 CB MET A 120 -13.643 -2.380 2.198 1.00 0.00 C ATOM 1893 CG MET A 120 -12.349 -1.752 2.703 1.00 0.00 C ATOM 1894 SD MET A 120 -10.989 -1.834 1.513 1.00 0.00 S ATOM 1895 CE MET A 120 -11.333 -0.423 0.465 1.00 0.00 C ATOM 0 H MET A 120 -14.693 -0.123 2.367 1.00 0.00 H new ATOM 0 HA MET A 120 -13.536 -1.563 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.363 -2.402 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 120 -13.444 -3.415 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 120 -12.536 -0.708 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.047 -2.254 3.622 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.409 -0.082 -0.001 1.00 0.00 H new ATOM 0 HE2 MET A 120 -12.045 -0.710 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 120 -11.755 0.382 1.066 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.667 -2.090 0.811 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.861 -2.827 0.407 1.00 0.00 C ATOM 1907 C ARG A 121 -18.025 -2.799 -1.113 1.00 0.00 C ATOM 1908 O ARG A 121 -18.506 -3.760 -1.715 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.099 -2.239 1.108 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.314 -3.165 1.128 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.090 -3.136 -0.181 1.00 0.00 C ATOM 1912 NE ARG A 121 -22.007 -4.269 -0.301 1.00 0.00 N ATOM 1913 CZ ARG A 121 -22.818 -4.468 -1.337 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -22.903 -3.560 -2.304 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -23.554 -5.571 -1.397 1.00 0.00 N ATOM 0 H ARG A 121 -16.856 -1.257 1.368 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.753 -3.869 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.834 -1.986 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.375 -1.309 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.986 -4.185 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.975 -2.875 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -21.653 -2.205 -0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.391 -3.146 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.026 -4.950 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.345 -2.707 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.526 -3.716 -3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.497 -6.263 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.177 -5.726 -2.190 1.00 0.00 H new ATOM 1929 N SER A 122 -17.605 -1.702 -1.732 1.00 0.00 N ATOM 1930 CA SER A 122 -17.703 -1.558 -3.178 1.00 0.00 C ATOM 1931 C SER A 122 -16.656 -2.419 -3.879 1.00 0.00 C ATOM 1932 O SER A 122 -16.868 -2.892 -4.994 1.00 0.00 O ATOM 1933 CB SER A 122 -17.545 -0.087 -3.582 1.00 0.00 C ATOM 1934 OG SER A 122 -17.680 0.085 -4.985 1.00 0.00 O ATOM 0 H SER A 122 -17.194 -0.900 -1.255 1.00 0.00 H new ATOM 0 HA SER A 122 -18.690 -1.899 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.293 0.515 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.568 0.276 -3.262 1.00 0.00 H new ATOM 0 HG SER A 122 -17.576 1.033 -5.210 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.523 -2.621 -3.220 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.443 -3.407 -3.798 1.00 0.00 C ATOM 1942 C ILE A 123 -14.633 -4.896 -3.511 1.00 0.00 C ATOM 1943 O ILE A 123 -14.601 -5.720 -4.422 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.067 -2.947 -3.257 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -12.784 -1.504 -3.685 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -11.957 -3.874 -3.732 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -11.443 -0.975 -3.216 1.00 0.00 C ATOM 0 H ILE A 123 -15.329 -2.253 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.469 -3.249 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.096 -2.989 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -12.827 -1.443 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -13.573 -0.859 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.001 -3.529 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -12.151 -4.886 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -11.923 -3.872 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.317 0.052 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.402 -1.002 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.644 -1.594 -3.624 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.859 -5.221 -2.243 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.997 -6.603 -1.807 1.00 0.00 C ATOM 1961 C VAL A 124 -15.862 -6.694 -0.550 1.00 0.00 C ATOM 1962 O VAL A 124 -15.350 -6.759 0.568 1.00 0.00 O ATOM 1963 CB VAL A 124 -13.625 -7.257 -1.515 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -12.948 -7.719 -2.793 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.715 -6.291 -0.764 1.00 0.00 C ATOM 0 H VAL A 124 -14.951 -4.536 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 124 -15.475 -7.141 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 124 -13.807 -8.131 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -11.987 -8.173 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -13.580 -8.451 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.790 -6.864 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.756 -6.771 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.557 -5.397 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.180 -6.013 0.182 1.00 0.00 H new ATOM 1975 N ASP A 125 -17.177 -6.681 -0.724 1.00 0.00 N ATOM 1976 CA ASP A 125 -18.082 -6.792 0.406 1.00 0.00 C ATOM 1977 C ASP A 125 -17.981 -8.184 1.017 1.00 0.00 C ATOM 1978 O ASP A 125 -18.136 -8.352 2.226 1.00 0.00 O ATOM 1979 CB ASP A 125 -19.515 -6.477 -0.021 1.00 0.00 C ATOM 1980 CG ASP A 125 -20.184 -7.598 -0.787 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -19.717 -7.917 -1.897 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -21.193 -8.141 -0.288 1.00 0.00 O ATOM 0 H ASP A 125 -17.636 -6.595 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 125 -17.795 -6.063 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.107 -6.251 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.511 -5.579 -0.639 1.00 0.00 H new