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 109:sc= -1.76! USER MOD Set 1.2: A 80 SER OG : rot 147:sc= 1.91 USER MOD Set 2.1: A 12 GLN : amide:sc= -0.412 X(o=0.77,f=0.8) USER MOD Set 2.2: A 16 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 20 GLN : amide:sc=6.78e-05 X(o=6.8e-05,f=-0.47) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 26 THR OG1 : rot -38:sc= 0.747 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.12) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.22) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.47 F(o=-2.6!,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= 1.43 K(o=1.4,f=-6!) USER MOD Single : A 88 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.3) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.15 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.13) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= -0.215 K(o=-0.22,f=-5.6!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 120 MET CE :methyl -169:sc= -0.195 (180deg=-0.591) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.984 3.336 6.529 1.00 0.00 N ATOM 126 CA LEU A 10 11.857 2.447 6.268 1.00 0.00 C ATOM 127 C LEU A 10 12.107 1.567 5.043 1.00 0.00 C ATOM 128 O LEU A 10 11.844 0.367 5.076 1.00 0.00 O ATOM 129 CB LEU A 10 10.578 3.267 6.066 1.00 0.00 C ATOM 130 CG LEU A 10 9.316 2.447 5.779 1.00 0.00 C ATOM 131 CD1 LEU A 10 8.965 1.558 6.963 1.00 0.00 C ATOM 132 CD2 LEU A 10 8.152 3.365 5.437 1.00 0.00 C ATOM 0 HA LEU A 10 11.741 1.794 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.406 3.868 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.737 3.961 5.240 1.00 0.00 H new ATOM 0 HG LEU A 10 9.515 1.805 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.066 0.986 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.790 0.873 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.788 2.177 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.264 2.766 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.957 4.033 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.400 3.954 4.554 1.00 0.00 H new ATOM 144 N TRP A 11 12.630 2.169 3.972 1.00 0.00 N ATOM 145 CA TRP A 11 12.897 1.445 2.730 1.00 0.00 C ATOM 146 C TRP A 11 13.872 0.298 2.977 1.00 0.00 C ATOM 147 O TRP A 11 13.693 -0.812 2.476 1.00 0.00 O ATOM 148 CB TRP A 11 13.466 2.394 1.671 1.00 0.00 C ATOM 149 CG TRP A 11 12.643 2.468 0.419 1.00 0.00 C ATOM 150 CD1 TRP A 11 11.977 3.558 -0.066 1.00 0.00 C ATOM 151 CD2 TRP A 11 12.391 1.402 -0.502 1.00 0.00 C ATOM 152 NE1 TRP A 11 11.339 3.236 -1.240 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.576 1.918 -1.527 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.780 0.065 -0.564 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.144 1.137 -2.597 1.00 0.00 C ATOM 156 CZ3 TRP A 11 12.349 -0.706 -1.624 1.00 0.00 C ATOM 157 CH2 TRP A 11 11.540 -0.167 -2.628 1.00 0.00 C ATOM 0 H TRP A 11 12.877 3.158 3.942 1.00 0.00 H new ATOM 0 HA TRP A 11 11.956 1.033 2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 11 13.550 3.393 2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 11 14.475 2.072 1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 11 11.955 4.530 0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.780 3.875 -1.806 1.00 0.00 H new ATOM 0 HE3 TRP A 11 13.408 -0.360 0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.518 1.550 -3.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 12.642 -1.744 -1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.222 -0.797 -3.446 1.00 0.00 H new ATOM 168 N GLN A 12 14.892 0.574 3.776 1.00 0.00 N ATOM 169 CA GLN A 12 15.898 -0.419 4.125 1.00 0.00 C ATOM 170 C GLN A 12 15.254 -1.528 4.962 1.00 0.00 C ATOM 171 O GLN A 12 15.485 -2.718 4.737 1.00 0.00 O ATOM 172 CB GLN A 12 17.030 0.274 4.900 1.00 0.00 C ATOM 173 CG GLN A 12 18.379 -0.442 4.892 1.00 0.00 C ATOM 174 CD GLN A 12 18.400 -1.720 5.704 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.594 -1.692 6.916 1.00 0.00 O ATOM 176 NE2 GLN A 12 18.263 -2.849 5.035 1.00 0.00 N ATOM 0 H GLN A 12 15.046 1.489 4.200 1.00 0.00 H new ATOM 0 HA GLN A 12 16.314 -0.872 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.168 1.273 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.712 0.398 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.651 -0.673 3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.141 0.235 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.103 -2.829 4.028 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.317 -3.742 5.525 1.00 0.00 H new ATOM 185 N ARG A 13 14.416 -1.120 5.910 1.00 0.00 N ATOM 186 CA ARG A 13 13.771 -2.050 6.832 1.00 0.00 C ATOM 187 C ARG A 13 12.830 -3.004 6.097 1.00 0.00 C ATOM 188 O ARG A 13 12.866 -4.215 6.326 1.00 0.00 O ATOM 189 CB ARG A 13 12.997 -1.281 7.908 1.00 0.00 C ATOM 190 CG ARG A 13 13.335 -1.709 9.329 1.00 0.00 C ATOM 191 CD ARG A 13 14.789 -1.416 9.662 1.00 0.00 C ATOM 192 NE ARG A 13 15.122 -1.755 11.045 1.00 0.00 N ATOM 193 CZ ARG A 13 16.216 -1.322 11.674 1.00 0.00 C ATOM 194 NH1 ARG A 13 17.074 -0.524 11.051 1.00 0.00 N ATOM 195 NH2 ARG A 13 16.438 -1.684 12.932 1.00 0.00 N ATOM 0 H ARG A 13 14.166 -0.143 6.061 1.00 0.00 H new ATOM 0 HA ARG A 13 14.554 -2.643 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.203 -0.216 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.928 -1.417 7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.686 -1.187 10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.140 -2.775 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.434 -1.979 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 13 14.993 -0.359 9.490 1.00 0.00 H new ATOM 0 HE ARG A 13 14.480 -2.358 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.898 -0.239 10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.909 -0.195 11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.774 -2.290 13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.273 -1.356 13.417 1.00 0.00 H new ATOM 209 N LEU A 14 12.004 -2.460 5.202 1.00 0.00 N ATOM 210 CA LEU A 14 11.011 -3.267 4.497 1.00 0.00 C ATOM 211 C LEU A 14 11.680 -4.267 3.562 1.00 0.00 C ATOM 212 O LEU A 14 11.237 -5.409 3.451 1.00 0.00 O ATOM 213 CB LEU A 14 9.999 -2.376 3.747 1.00 0.00 C ATOM 214 CG LEU A 14 10.546 -1.490 2.618 1.00 0.00 C ATOM 215 CD1 LEU A 14 10.579 -2.240 1.295 1.00 0.00 C ATOM 216 CD2 LEU A 14 9.712 -0.225 2.487 1.00 0.00 C ATOM 0 H LEU A 14 12.003 -1.472 4.950 1.00 0.00 H new ATOM 0 HA LEU A 14 10.454 -3.837 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.228 -3.021 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.511 -1.730 4.477 1.00 0.00 H new ATOM 0 HG LEU A 14 11.569 -1.214 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.971 -1.586 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.220 -3.117 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.570 -2.555 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.112 0.393 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.680 -0.492 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.746 0.332 3.423 1.00 0.00 H new ATOM 228 N LEU A 15 12.766 -3.845 2.920 1.00 0.00 N ATOM 229 CA LEU A 15 13.527 -4.728 2.034 1.00 0.00 C ATOM 230 C LEU A 15 14.118 -5.901 2.802 1.00 0.00 C ATOM 231 O LEU A 15 14.298 -6.990 2.258 1.00 0.00 O ATOM 232 CB LEU A 15 14.655 -3.966 1.340 1.00 0.00 C ATOM 233 CG LEU A 15 14.231 -3.086 0.166 1.00 0.00 C ATOM 234 CD1 LEU A 15 15.438 -2.368 -0.417 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.544 -3.924 -0.902 1.00 0.00 C ATOM 0 H LEU A 15 13.140 -2.899 2.995 1.00 0.00 H new ATOM 0 HA LEU A 15 12.833 -5.106 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.155 -3.339 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.391 -4.687 0.984 1.00 0.00 H new ATOM 0 HG LEU A 15 13.524 -2.339 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.122 -1.744 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.895 -1.742 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.164 -3.102 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.247 -3.283 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.231 -4.689 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.660 -4.401 -0.478 1.00 0.00 H new ATOM 247 N THR A 16 14.416 -5.672 4.069 1.00 0.00 N ATOM 248 CA THR A 16 15.011 -6.691 4.911 1.00 0.00 C ATOM 249 C THR A 16 13.989 -7.767 5.277 1.00 0.00 C ATOM 250 O THR A 16 14.346 -8.920 5.529 1.00 0.00 O ATOM 251 CB THR A 16 15.607 -6.056 6.183 1.00 0.00 C ATOM 252 OG1 THR A 16 16.572 -5.062 5.807 1.00 0.00 O ATOM 253 CG2 THR A 16 16.275 -7.100 7.067 1.00 0.00 C ATOM 0 H THR A 16 14.253 -4.781 4.539 1.00 0.00 H new ATOM 0 HA THR A 16 15.815 -7.168 4.350 1.00 0.00 H new ATOM 0 HB THR A 16 14.795 -5.602 6.751 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.111 -4.285 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.684 -6.617 7.955 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.540 -7.847 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.080 -7.584 6.514 1.00 0.00 H new ATOM 261 N ARG A 17 12.716 -7.399 5.283 1.00 0.00 N ATOM 262 CA ARG A 17 11.671 -8.334 5.660 1.00 0.00 C ATOM 263 C ARG A 17 11.020 -8.953 4.425 1.00 0.00 C ATOM 264 O ARG A 17 10.742 -10.151 4.401 1.00 0.00 O ATOM 265 CB ARG A 17 10.623 -7.647 6.536 1.00 0.00 C ATOM 266 CG ARG A 17 9.855 -8.618 7.416 1.00 0.00 C ATOM 267 CD ARG A 17 9.034 -7.898 8.473 1.00 0.00 C ATOM 268 NE ARG A 17 8.733 -8.775 9.601 1.00 0.00 N ATOM 269 CZ ARG A 17 8.402 -8.347 10.818 1.00 0.00 C ATOM 270 NH1 ARG A 17 8.208 -7.053 11.052 1.00 0.00 N ATOM 271 NH2 ARG A 17 8.251 -9.222 11.802 1.00 0.00 N ATOM 0 H ARG A 17 12.385 -6.467 5.033 1.00 0.00 H new ATOM 0 HA ARG A 17 12.129 -9.137 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.114 -6.905 7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.921 -7.110 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.196 -9.226 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.554 -9.299 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.579 -7.023 8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.105 -7.538 8.032 1.00 0.00 H new ATOM 0 HE ARG A 17 8.779 -9.782 9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.312 -6.377 10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.955 -6.736 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.388 -10.217 11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.998 -8.900 12.736 1.00 0.00 H new ATOM 285 N GLY A 18 10.793 -8.146 3.396 1.00 0.00 N ATOM 286 CA GLY A 18 10.187 -8.655 2.181 1.00 0.00 C ATOM 287 C GLY A 18 9.829 -7.551 1.210 1.00 0.00 C ATOM 288 O GLY A 18 10.703 -6.797 0.776 1.00 0.00 O ATOM 0 H GLY A 18 11.017 -7.151 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.874 -9.351 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.289 -9.218 2.434 1.00 0.00 H new ATOM 292 N TRP A 19 8.541 -7.469 0.872 1.00 0.00 N ATOM 293 CA TRP A 19 8.019 -6.442 -0.035 1.00 0.00 C ATOM 294 C TRP A 19 8.563 -6.607 -1.457 1.00 0.00 C ATOM 295 O TRP A 19 9.217 -7.603 -1.779 1.00 0.00 O ATOM 296 CB TRP A 19 8.329 -5.035 0.495 1.00 0.00 C ATOM 297 CG TRP A 19 7.496 -4.636 1.674 1.00 0.00 C ATOM 298 CD1 TRP A 19 7.528 -5.178 2.926 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.515 -3.591 1.714 1.00 0.00 C ATOM 300 NE1 TRP A 19 6.619 -4.544 3.738 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.988 -3.565 3.017 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.031 -2.677 0.773 1.00 0.00 C ATOM 303 CZ2 TRP A 19 5.002 -2.661 3.405 1.00 0.00 C ATOM 304 CZ3 TRP A 19 5.053 -1.779 1.159 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.548 -1.777 2.465 1.00 0.00 C ATOM 0 H TRP A 19 7.829 -8.112 1.219 1.00 0.00 H new ATOM 0 HA TRP A 19 6.937 -6.570 -0.077 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.382 -4.985 0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.176 -4.313 -0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.174 -5.987 3.234 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.443 -4.766 4.718 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.414 -2.673 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.610 -2.658 4.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.672 -1.067 0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.784 -1.063 2.736 1.00 0.00 H new ATOM 316 N GLN A 20 8.257 -5.631 -2.303 1.00 0.00 N ATOM 317 CA GLN A 20 8.681 -5.636 -3.693 1.00 0.00 C ATOM 318 C GLN A 20 8.613 -4.222 -4.262 1.00 0.00 C ATOM 319 O GLN A 20 7.552 -3.597 -4.252 1.00 0.00 O ATOM 320 CB GLN A 20 7.782 -6.570 -4.514 1.00 0.00 C ATOM 321 CG GLN A 20 8.017 -6.499 -6.019 1.00 0.00 C ATOM 322 CD GLN A 20 9.403 -6.960 -6.435 1.00 0.00 C ATOM 323 OE1 GLN A 20 10.002 -7.830 -5.803 1.00 0.00 O ATOM 324 NE2 GLN A 20 9.924 -6.369 -7.499 1.00 0.00 N ATOM 0 H GLN A 20 7.707 -4.813 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 20 9.709 -5.994 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.941 -7.595 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.740 -6.326 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.271 -7.112 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.867 -5.473 -6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.394 -5.652 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.855 -6.630 -7.823 1.00 0.00 H new ATOM 333 N PRO A 21 9.748 -3.679 -4.720 1.00 0.00 N ATOM 334 CA PRO A 21 9.772 -2.408 -5.445 1.00 0.00 C ATOM 335 C PRO A 21 9.126 -2.551 -6.818 1.00 0.00 C ATOM 336 O PRO A 21 9.616 -3.294 -7.670 1.00 0.00 O ATOM 337 CB PRO A 21 11.268 -2.084 -5.579 1.00 0.00 C ATOM 338 CG PRO A 21 11.949 -2.992 -4.614 1.00 0.00 C ATOM 339 CD PRO A 21 11.098 -4.225 -4.543 1.00 0.00 C ATOM 0 HA PRO A 21 9.216 -1.624 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.619 -2.255 -6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.468 -1.038 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.958 -3.232 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.041 -2.523 -3.634 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.353 -4.942 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.207 -4.741 -3.589 1.00 0.00 H new ATOM 347 N VAL A 22 8.011 -1.870 -7.022 1.00 0.00 N ATOM 348 CA VAL A 22 7.306 -1.949 -8.291 1.00 0.00 C ATOM 349 C VAL A 22 7.723 -0.834 -9.233 1.00 0.00 C ATOM 350 O VAL A 22 8.242 0.201 -8.811 1.00 0.00 O ATOM 351 CB VAL A 22 5.773 -1.932 -8.129 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.274 -3.290 -7.665 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.340 -0.838 -7.167 1.00 0.00 C ATOM 0 H VAL A 22 7.576 -1.260 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 22 7.588 -2.910 -8.721 1.00 0.00 H new ATOM 0 HB VAL A 22 5.329 -1.716 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.190 -3.261 -7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.544 -4.048 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.729 -3.537 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.254 -0.847 -7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.793 -1.012 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.662 0.131 -7.549 1.00 0.00 H new ATOM 363 N GLU A 23 7.482 -1.063 -10.510 1.00 0.00 N ATOM 364 CA GLU A 23 7.870 -0.130 -11.553 1.00 0.00 C ATOM 365 C GLU A 23 6.744 -0.004 -12.562 1.00 0.00 C ATOM 366 O GLU A 23 5.917 -0.906 -12.689 1.00 0.00 O ATOM 367 CB GLU A 23 9.140 -0.601 -12.262 1.00 0.00 C ATOM 368 CG GLU A 23 10.341 -0.746 -11.340 1.00 0.00 C ATOM 369 CD GLU A 23 11.551 -1.315 -12.045 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.921 -0.788 -13.110 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.129 -2.303 -11.541 1.00 0.00 O ATOM 0 H GLU A 23 7.012 -1.900 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 23 8.069 0.839 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.943 -1.561 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.386 0.106 -13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.594 0.229 -10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.076 -1.392 -10.503 1.00 0.00 H new ATOM 378 N ALA A 24 6.727 1.098 -13.291 1.00 0.00 N ATOM 379 CA ALA A 24 5.671 1.353 -14.264 1.00 0.00 C ATOM 380 C ALA A 24 5.846 0.467 -15.486 1.00 0.00 C ATOM 381 O ALA A 24 4.879 0.118 -16.163 1.00 0.00 O ATOM 382 CB ALA A 24 5.664 2.820 -14.672 1.00 0.00 C ATOM 0 H ALA A 24 7.431 1.833 -13.230 1.00 0.00 H new ATOM 0 HA ALA A 24 4.714 1.117 -13.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.870 2.992 -15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.492 3.441 -13.793 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.625 3.078 -15.117 1.00 0.00 H new ATOM 388 N SER A 25 7.088 0.081 -15.735 1.00 0.00 N ATOM 389 CA SER A 25 7.438 -0.706 -16.906 1.00 0.00 C ATOM 390 C SER A 25 6.794 -2.093 -16.880 1.00 0.00 C ATOM 391 O SER A 25 6.526 -2.677 -17.929 1.00 0.00 O ATOM 392 CB SER A 25 8.959 -0.835 -16.977 1.00 0.00 C ATOM 393 OG SER A 25 9.577 0.415 -16.707 1.00 0.00 O ATOM 0 H SER A 25 7.880 0.304 -15.132 1.00 0.00 H new ATOM 0 HA SER A 25 7.058 -0.194 -17.790 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.301 -1.579 -16.258 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.254 -1.188 -17.965 1.00 0.00 H new ATOM 0 HG SER A 25 10.551 0.316 -16.755 1.00 0.00 H new ATOM 399 N THR A 26 6.528 -2.617 -15.687 1.00 0.00 N ATOM 400 CA THR A 26 6.021 -3.978 -15.565 1.00 0.00 C ATOM 401 C THR A 26 4.850 -4.068 -14.580 1.00 0.00 C ATOM 402 O THR A 26 4.422 -5.164 -14.212 1.00 0.00 O ATOM 403 CB THR A 26 7.156 -4.937 -15.129 1.00 0.00 C ATOM 404 OG1 THR A 26 6.715 -6.300 -15.172 1.00 0.00 O ATOM 405 CG2 THR A 26 7.643 -4.603 -13.724 1.00 0.00 C ATOM 0 H THR A 26 6.653 -2.126 -14.802 1.00 0.00 H new ATOM 0 HA THR A 26 5.651 -4.277 -16.546 1.00 0.00 H new ATOM 0 HB THR A 26 7.982 -4.808 -15.828 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.784 -6.352 -14.872 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.440 -5.291 -13.442 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.022 -3.581 -13.704 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.816 -4.698 -13.020 1.00 0.00 H new ATOM 413 N VAL A 27 4.312 -2.917 -14.182 1.00 0.00 N ATOM 414 CA VAL A 27 3.219 -2.880 -13.209 1.00 0.00 C ATOM 415 C VAL A 27 1.955 -3.536 -13.771 1.00 0.00 C ATOM 416 O VAL A 27 1.231 -4.230 -13.057 1.00 0.00 O ATOM 417 CB VAL A 27 2.905 -1.431 -12.757 1.00 0.00 C ATOM 418 CG1 VAL A 27 2.499 -0.552 -13.931 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.825 -1.420 -11.683 1.00 0.00 C ATOM 0 H VAL A 27 4.612 -2.001 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 27 3.550 -3.446 -12.338 1.00 0.00 H new ATOM 0 HB VAL A 27 3.820 -1.017 -12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.287 0.456 -13.575 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.311 -0.517 -14.657 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.608 -0.965 -14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.622 -0.392 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.914 -1.869 -12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.165 -1.991 -10.819 1.00 0.00 H new ATOM 429 N ASP A 28 1.720 -3.331 -15.061 1.00 0.00 N ATOM 430 CA ASP A 28 0.535 -3.859 -15.730 1.00 0.00 C ATOM 431 C ASP A 28 0.565 -5.385 -15.746 1.00 0.00 C ATOM 432 O ASP A 28 -0.408 -6.046 -15.386 1.00 0.00 O ATOM 433 CB ASP A 28 0.472 -3.315 -17.165 1.00 0.00 C ATOM 434 CG ASP A 28 -0.820 -3.645 -17.897 1.00 0.00 C ATOM 435 OD1 ASP A 28 -1.064 -4.832 -18.192 1.00 0.00 O ATOM 436 OD2 ASP A 28 -1.573 -2.700 -18.231 1.00 0.00 O ATOM 0 H ASP A 28 2.340 -2.798 -15.671 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.353 -3.540 -15.184 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.595 -2.232 -17.138 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.311 -3.717 -17.732 1.00 0.00 H new ATOM 441 N ASP A 29 1.710 -5.934 -16.133 1.00 0.00 N ATOM 442 CA ASP A 29 1.850 -7.373 -16.305 1.00 0.00 C ATOM 443 C ASP A 29 1.886 -8.088 -14.957 1.00 0.00 C ATOM 444 O ASP A 29 1.353 -9.189 -14.815 1.00 0.00 O ATOM 445 CB ASP A 29 3.117 -7.691 -17.099 1.00 0.00 C ATOM 446 CG ASP A 29 3.059 -9.058 -17.746 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.469 -10.048 -17.110 1.00 0.00 O ATOM 448 OD2 ASP A 29 2.586 -9.148 -18.900 1.00 0.00 O ATOM 0 H ASP A 29 2.557 -5.402 -16.334 1.00 0.00 H new ATOM 0 HA ASP A 29 0.982 -7.731 -16.858 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.261 -6.933 -17.869 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.981 -7.641 -16.436 1.00 0.00 H new ATOM 453 N TRP A 30 2.500 -7.449 -13.962 1.00 0.00 N ATOM 454 CA TRP A 30 2.601 -8.028 -12.627 1.00 0.00 C ATOM 455 C TRP A 30 1.212 -8.242 -12.032 1.00 0.00 C ATOM 456 O TRP A 30 0.906 -9.324 -11.525 1.00 0.00 O ATOM 457 CB TRP A 30 3.444 -7.132 -11.711 1.00 0.00 C ATOM 458 CG TRP A 30 3.641 -7.691 -10.330 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.364 -8.800 -9.987 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.115 -7.163 -9.104 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.311 -8.996 -8.628 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.554 -8.006 -8.066 1.00 0.00 C ATOM 463 CE3 TRP A 30 2.315 -6.063 -8.784 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.222 -7.783 -6.733 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.985 -5.843 -7.459 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.437 -6.700 -6.448 1.00 0.00 C ATOM 0 H TRP A 30 2.934 -6.531 -14.057 1.00 0.00 H new ATOM 0 HA TRP A 30 3.096 -8.996 -12.710 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.419 -6.973 -12.171 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.966 -6.156 -11.633 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.899 -9.430 -10.683 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.763 -9.757 -8.121 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.961 -5.397 -9.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.572 -8.442 -5.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.368 -4.995 -7.200 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.160 -6.502 -5.423 1.00 0.00 H new ATOM 477 N ILE A 31 0.369 -7.217 -12.116 1.00 0.00 N ATOM 478 CA ILE A 31 -1.001 -7.309 -11.621 1.00 0.00 C ATOM 479 C ILE A 31 -1.780 -8.364 -12.396 1.00 0.00 C ATOM 480 O ILE A 31 -2.566 -9.121 -11.824 1.00 0.00 O ATOM 481 CB ILE A 31 -1.726 -5.948 -11.709 1.00 0.00 C ATOM 482 CG1 ILE A 31 -1.100 -4.963 -10.720 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.218 -6.098 -11.439 1.00 0.00 C ATOM 484 CD1 ILE A 31 -1.153 -5.432 -9.279 1.00 0.00 C ATOM 0 H ILE A 31 0.610 -6.313 -12.522 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.952 -7.601 -10.572 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.610 -5.562 -12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.060 -4.792 -10.999 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.613 -4.005 -10.800 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.700 -5.123 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.655 -6.772 -12.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.368 -6.507 -10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.691 -4.683 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.192 -5.576 -8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.614 -6.375 -9.183 1.00 0.00 H new ATOM 496 N LYS A 32 -1.530 -8.419 -13.694 1.00 0.00 N ATOM 497 CA LYS A 32 -2.151 -9.407 -14.565 1.00 0.00 C ATOM 498 C LYS A 32 -1.802 -10.831 -14.111 1.00 0.00 C ATOM 499 O LYS A 32 -2.635 -11.739 -14.180 1.00 0.00 O ATOM 500 CB LYS A 32 -1.699 -9.146 -16.014 1.00 0.00 C ATOM 501 CG LYS A 32 -2.246 -10.113 -17.061 1.00 0.00 C ATOM 502 CD LYS A 32 -1.368 -11.351 -17.217 1.00 0.00 C ATOM 503 CE LYS A 32 0.064 -10.989 -17.595 1.00 0.00 C ATOM 504 NZ LYS A 32 0.134 -10.211 -18.863 1.00 0.00 N ATOM 0 H LYS A 32 -0.893 -7.783 -14.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.236 -9.316 -14.511 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.994 -8.134 -16.291 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.610 -9.181 -16.048 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.254 -10.418 -16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.323 -9.601 -18.020 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.366 -11.914 -16.284 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.792 -12.002 -17.981 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.514 -10.409 -16.790 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.652 -11.901 -17.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.129 -10.017 -19.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.302 -10.760 -19.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.376 -9.312 -18.747 1.00 0.00 H new ATOM 518 N ARG A 33 -0.579 -11.012 -13.624 1.00 0.00 N ATOM 519 CA ARG A 33 -0.103 -12.332 -13.223 1.00 0.00 C ATOM 520 C ARG A 33 -0.626 -12.694 -11.835 1.00 0.00 C ATOM 521 O ARG A 33 -1.128 -13.795 -11.626 1.00 0.00 O ATOM 522 CB ARG A 33 1.431 -12.353 -13.236 1.00 0.00 C ATOM 523 CG ARG A 33 2.052 -13.662 -13.728 1.00 0.00 C ATOM 524 CD ARG A 33 2.273 -14.683 -12.612 1.00 0.00 C ATOM 525 NE ARG A 33 1.029 -15.298 -12.145 1.00 0.00 N ATOM 526 CZ ARG A 33 0.969 -16.334 -11.306 1.00 0.00 C ATOM 527 NH1 ARG A 33 2.085 -16.895 -10.852 1.00 0.00 N ATOM 528 NH2 ARG A 33 -0.212 -16.799 -10.914 1.00 0.00 N ATOM 0 H ARG A 33 0.101 -10.262 -13.497 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.478 -13.071 -13.931 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.786 -11.539 -13.868 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.791 -12.153 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.405 -14.100 -14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.007 -13.446 -14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.946 -15.463 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.768 -14.194 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 33 0.149 -14.908 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.993 -16.534 -11.145 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.034 -17.687 -10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.070 -16.364 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.261 -17.591 -10.273 1.00 0.00 H new ATOM 542 N VAL A 34 -0.533 -11.760 -10.897 1.00 0.00 N ATOM 543 CA VAL A 34 -0.915 -12.044 -9.514 1.00 0.00 C ATOM 544 C VAL A 34 -2.433 -12.051 -9.323 1.00 0.00 C ATOM 545 O VAL A 34 -2.975 -12.920 -8.646 1.00 0.00 O ATOM 546 CB VAL A 34 -0.273 -11.051 -8.514 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.238 -11.201 -8.507 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.656 -9.611 -8.820 1.00 0.00 C ATOM 0 H VAL A 34 -0.201 -10.810 -11.062 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.534 -13.043 -9.303 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.659 -11.294 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.670 -10.495 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.501 -12.217 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.628 -10.999 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.185 -8.947 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.319 -9.350 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.739 -9.502 -8.761 1.00 0.00 H new ATOM 558 N GLY A 35 -3.109 -11.083 -9.916 1.00 0.00 N ATOM 559 CA GLY A 35 -4.548 -10.985 -9.777 1.00 0.00 C ATOM 560 C GLY A 35 -4.947 -10.058 -8.645 1.00 0.00 C ATOM 561 O GLY A 35 -5.830 -9.213 -8.801 1.00 0.00 O ATOM 0 H GLY A 35 -2.686 -10.358 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.979 -10.623 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.963 -11.977 -9.597 1.00 0.00 H new ATOM 565 N ASP A 36 -4.300 -10.224 -7.504 1.00 0.00 N ATOM 566 CA ASP A 36 -4.552 -9.387 -6.343 1.00 0.00 C ATOM 567 C ASP A 36 -3.259 -8.747 -5.858 1.00 0.00 C ATOM 568 O ASP A 36 -2.200 -9.374 -5.878 1.00 0.00 O ATOM 569 CB ASP A 36 -5.204 -10.204 -5.219 1.00 0.00 C ATOM 570 CG ASP A 36 -4.484 -11.512 -4.932 1.00 0.00 C ATOM 571 OD1 ASP A 36 -3.573 -11.527 -4.084 1.00 0.00 O ATOM 572 OD2 ASP A 36 -4.840 -12.537 -5.552 1.00 0.00 O ATOM 0 H ASP A 36 -3.588 -10.939 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.241 -8.594 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.228 -9.603 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.239 -10.418 -5.488 1.00 0.00 H new ATOM 577 N GLY A 37 -3.342 -7.486 -5.462 1.00 0.00 N ATOM 578 CA GLY A 37 -2.177 -6.785 -4.968 1.00 0.00 C ATOM 579 C GLY A 37 -2.382 -5.283 -4.951 1.00 0.00 C ATOM 580 O GLY A 37 -3.409 -4.791 -5.419 1.00 0.00 O ATOM 0 H GLY A 37 -4.200 -6.934 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.946 -7.131 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.317 -7.026 -5.593 1.00 0.00 H new ATOM 584 N VAL A 38 -1.418 -4.556 -4.404 1.00 0.00 N ATOM 585 CA VAL A 38 -1.495 -3.101 -4.344 1.00 0.00 C ATOM 586 C VAL A 38 -0.154 -2.459 -4.696 1.00 0.00 C ATOM 587 O VAL A 38 0.906 -2.953 -4.308 1.00 0.00 O ATOM 588 CB VAL A 38 -1.943 -2.599 -2.949 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.407 -2.915 -2.696 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.076 -3.198 -1.852 1.00 0.00 C ATOM 0 H VAL A 38 -0.571 -4.950 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.244 -2.805 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.821 -1.516 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.693 -2.551 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.021 -2.428 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.560 -3.993 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.411 -2.830 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.158 -4.285 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.037 -2.909 -2.011 1.00 0.00 H new ATOM 600 N ILE A 39 -0.213 -1.370 -5.452 1.00 0.00 N ATOM 601 CA ILE A 39 0.976 -0.585 -5.764 1.00 0.00 C ATOM 602 C ILE A 39 0.965 0.699 -4.944 1.00 0.00 C ATOM 603 O ILE A 39 0.058 1.522 -5.072 1.00 0.00 O ATOM 604 CB ILE A 39 1.086 -0.234 -7.276 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.516 -1.450 -8.109 1.00 0.00 C ATOM 606 CG2 ILE A 39 2.068 0.908 -7.500 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.457 -2.521 -8.235 1.00 0.00 C ATOM 0 H ILE A 39 -1.074 -1.009 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 39 1.842 -1.196 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 39 0.094 0.077 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.795 -1.112 -9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.407 -1.887 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.127 1.134 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.728 1.792 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.053 0.617 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.841 -3.344 -8.838 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.193 -2.890 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.428 -2.103 -8.714 1.00 0.00 H new ATOM 619 N LEU A 40 1.957 0.849 -4.084 1.00 0.00 N ATOM 620 CA LEU A 40 2.070 2.027 -3.239 1.00 0.00 C ATOM 621 C LEU A 40 2.980 3.064 -3.904 1.00 0.00 C ATOM 622 O LEU A 40 4.172 2.816 -4.101 1.00 0.00 O ATOM 623 CB LEU A 40 2.630 1.611 -1.868 1.00 0.00 C ATOM 624 CG LEU A 40 2.364 2.561 -0.690 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.699 1.865 0.622 1.00 0.00 C ATOM 626 CD2 LEU A 40 3.181 3.841 -0.818 1.00 0.00 C ATOM 0 H LEU A 40 2.702 0.165 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 40 1.087 2.477 -3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.218 0.634 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.708 1.486 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 40 1.307 2.829 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.508 2.544 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.079 0.975 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.750 1.577 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.971 4.493 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.243 3.595 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.914 4.352 -1.743 1.00 0.00 H new ATOM 638 N LEU A 41 2.416 4.211 -4.265 1.00 0.00 N ATOM 639 CA LEU A 41 3.206 5.303 -4.818 1.00 0.00 C ATOM 640 C LEU A 41 3.868 6.086 -3.687 1.00 0.00 C ATOM 641 O LEU A 41 3.199 6.487 -2.735 1.00 0.00 O ATOM 642 CB LEU A 41 2.332 6.229 -5.672 1.00 0.00 C ATOM 643 CG LEU A 41 2.008 5.732 -7.091 1.00 0.00 C ATOM 644 CD1 LEU A 41 1.252 4.412 -7.065 1.00 0.00 C ATOM 645 CD2 LEU A 41 1.200 6.777 -7.843 1.00 0.00 C ATOM 0 H LEU A 41 1.418 4.408 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 41 3.980 4.884 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.393 6.398 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.831 7.195 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 41 2.954 5.567 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.041 4.093 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.858 3.655 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.314 4.540 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.977 6.413 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.268 6.968 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.774 7.701 -7.912 1.00 0.00 H new ATOM 657 N SER A 42 5.172 6.307 -3.802 1.00 0.00 N ATOM 658 CA SER A 42 5.947 6.906 -2.720 1.00 0.00 C ATOM 659 C SER A 42 5.511 8.342 -2.437 1.00 0.00 C ATOM 660 O SER A 42 5.414 8.753 -1.279 1.00 0.00 O ATOM 661 CB SER A 42 7.434 6.874 -3.067 1.00 0.00 C ATOM 662 OG SER A 42 7.677 7.540 -4.298 1.00 0.00 O ATOM 0 H SER A 42 5.716 6.080 -4.634 1.00 0.00 H new ATOM 0 HA SER A 42 5.766 6.320 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.008 7.349 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.775 5.841 -3.133 1.00 0.00 H new ATOM 0 HG SER A 42 8.142 8.385 -4.126 1.00 0.00 H new ATOM 863 N VAL A 56 3.904 3.558 6.726 1.00 0.00 N ATOM 864 CA VAL A 56 3.895 2.358 7.557 1.00 0.00 C ATOM 865 C VAL A 56 2.458 1.917 7.825 1.00 0.00 C ATOM 866 O VAL A 56 2.192 0.757 8.143 1.00 0.00 O ATOM 867 CB VAL A 56 4.618 2.609 8.901 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.789 1.312 9.678 1.00 0.00 C ATOM 869 CG2 VAL A 56 5.966 3.271 8.665 1.00 0.00 C ATOM 0 HA VAL A 56 4.424 1.571 7.019 1.00 0.00 H new ATOM 0 HB VAL A 56 4.001 3.281 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.300 1.516 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.810 0.879 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.380 0.610 9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.461 3.440 9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.586 2.623 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.819 4.225 8.159 1.00 0.00 H new ATOM 879 N MET A 57 1.535 2.864 7.666 1.00 0.00 N ATOM 880 CA MET A 57 0.115 2.638 7.925 1.00 0.00 C ATOM 881 C MET A 57 -0.430 1.461 7.110 1.00 0.00 C ATOM 882 O MET A 57 -1.259 0.690 7.593 1.00 0.00 O ATOM 883 CB MET A 57 -0.669 3.912 7.597 1.00 0.00 C ATOM 884 CG MET A 57 -2.170 3.798 7.826 1.00 0.00 C ATOM 885 SD MET A 57 -3.056 5.305 7.377 1.00 0.00 S ATOM 886 CE MET A 57 -4.742 4.843 7.775 1.00 0.00 C ATOM 0 H MET A 57 1.751 3.811 7.354 1.00 0.00 H new ATOM 0 HA MET A 57 -0.004 2.389 8.979 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.281 4.730 8.204 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.491 4.176 6.555 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.561 2.964 7.243 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.358 3.569 8.875 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.410 5.675 7.551 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.031 3.976 7.182 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.811 4.597 8.835 1.00 0.00 H new ATOM 896 N ILE A 58 0.060 1.317 5.884 1.00 0.00 N ATOM 897 CA ILE A 58 -0.415 0.267 4.988 1.00 0.00 C ATOM 898 C ILE A 58 -0.052 -1.113 5.535 1.00 0.00 C ATOM 899 O ILE A 58 -0.880 -2.027 5.552 1.00 0.00 O ATOM 900 CB ILE A 58 0.155 0.425 3.552 1.00 0.00 C ATOM 901 CG1 ILE A 58 -0.341 1.720 2.890 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.214 -0.773 2.687 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.395 2.971 3.327 1.00 0.00 C ATOM 0 H ILE A 58 0.786 1.914 5.487 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.499 0.363 4.933 1.00 0.00 H new ATOM 0 HB ILE A 58 1.240 0.478 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.249 1.619 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.402 1.842 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.196 -0.639 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.196 -1.681 3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.299 -0.857 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.020 3.836 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.282 3.102 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.453 2.875 3.082 1.00 0.00 H new ATOM 915 N ALA A 59 1.178 -1.242 6.024 1.00 0.00 N ATOM 916 CA ALA A 59 1.671 -2.514 6.536 1.00 0.00 C ATOM 917 C ALA A 59 0.903 -2.937 7.780 1.00 0.00 C ATOM 918 O ALA A 59 0.702 -4.125 8.024 1.00 0.00 O ATOM 919 CB ALA A 59 3.159 -2.420 6.837 1.00 0.00 C ATOM 0 H ALA A 59 1.852 -0.478 6.076 1.00 0.00 H new ATOM 0 HA ALA A 59 1.515 -3.273 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.514 -3.377 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.700 -2.170 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.331 -1.645 7.584 1.00 0.00 H new ATOM 925 N GLU A 60 0.469 -1.954 8.555 1.00 0.00 N ATOM 926 CA GLU A 60 -0.283 -2.219 9.771 1.00 0.00 C ATOM 927 C GLU A 60 -1.706 -2.656 9.430 1.00 0.00 C ATOM 928 O GLU A 60 -2.228 -3.613 9.999 1.00 0.00 O ATOM 929 CB GLU A 60 -0.314 -0.966 10.648 1.00 0.00 C ATOM 930 CG GLU A 60 -0.778 -1.223 12.071 1.00 0.00 C ATOM 931 CD GLU A 60 0.223 -2.036 12.866 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.168 -1.435 13.424 1.00 0.00 O ATOM 933 OE2 GLU A 60 0.075 -3.277 12.937 1.00 0.00 O ATOM 0 H GLU A 60 0.625 -0.965 8.362 1.00 0.00 H new ATOM 0 HA GLU A 60 0.207 -3.024 10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.684 -0.528 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.973 -0.229 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.949 -0.270 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.733 -1.748 12.050 1.00 0.00 H new ATOM 940 N LEU A 61 -2.319 -1.951 8.483 1.00 0.00 N ATOM 941 CA LEU A 61 -3.694 -2.228 8.072 1.00 0.00 C ATOM 942 C LEU A 61 -3.805 -3.625 7.460 1.00 0.00 C ATOM 943 O LEU A 61 -4.799 -4.325 7.658 1.00 0.00 O ATOM 944 CB LEU A 61 -4.149 -1.178 7.053 1.00 0.00 C ATOM 945 CG LEU A 61 -5.541 -0.576 7.280 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.618 -1.648 7.219 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.592 0.160 8.611 1.00 0.00 C ATOM 0 H LEU A 61 -1.882 -1.178 7.982 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.335 -2.184 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.421 -0.367 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.129 -1.631 6.062 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.734 0.139 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.595 -1.192 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.601 -2.126 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.432 -2.395 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.587 0.581 8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.371 -0.536 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.855 0.963 8.611 1.00 0.00 H new ATOM 959 N LEU A 62 -2.767 -4.021 6.728 1.00 0.00 N ATOM 960 CA LEU A 62 -2.732 -5.317 6.054 1.00 0.00 C ATOM 961 C LEU A 62 -2.911 -6.468 7.039 1.00 0.00 C ATOM 962 O LEU A 62 -3.557 -7.470 6.730 1.00 0.00 O ATOM 963 CB LEU A 62 -1.397 -5.487 5.328 1.00 0.00 C ATOM 964 CG LEU A 62 -1.205 -6.834 4.627 1.00 0.00 C ATOM 965 CD1 LEU A 62 -2.161 -6.976 3.454 1.00 0.00 C ATOM 966 CD2 LEU A 62 0.237 -7.001 4.172 1.00 0.00 C ATOM 0 H LEU A 62 -1.930 -3.456 6.585 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.557 -5.341 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.300 -4.693 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.590 -5.352 6.048 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.431 -7.624 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.005 -7.941 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.188 -6.911 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.976 -6.178 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.353 -7.965 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.494 -6.202 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.899 -6.956 5.037 1.00 0.00 H new ATOM 978 N ARG A 63 -2.348 -6.304 8.226 1.00 0.00 N ATOM 979 CA ARG A 63 -2.321 -7.365 9.227 1.00 0.00 C ATOM 980 C ARG A 63 -3.717 -7.857 9.598 1.00 0.00 C ATOM 981 O ARG A 63 -3.902 -9.042 9.865 1.00 0.00 O ATOM 982 CB ARG A 63 -1.587 -6.903 10.483 1.00 0.00 C ATOM 983 CG ARG A 63 -0.081 -6.828 10.317 1.00 0.00 C ATOM 984 CD ARG A 63 0.586 -6.343 11.589 1.00 0.00 C ATOM 985 NE ARG A 63 2.037 -6.478 11.536 1.00 0.00 N ATOM 986 CZ ARG A 63 2.879 -5.647 12.140 1.00 0.00 C ATOM 987 NH1 ARG A 63 2.421 -4.558 12.744 1.00 0.00 N ATOM 988 NH2 ARG A 63 4.183 -5.898 12.127 1.00 0.00 N ATOM 0 H ARG A 63 -1.899 -5.438 8.524 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.786 -8.202 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.961 -5.921 10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.820 -7.585 11.301 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.308 -7.811 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.164 -6.155 9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.326 -5.298 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.201 -6.908 12.438 1.00 0.00 H new ATOM 0 HE ARG A 63 2.428 -7.256 11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.421 -4.358 12.745 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.069 -3.921 13.207 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.538 -6.729 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.830 -5.260 12.591 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.697 -6.963 9.619 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.035 -7.343 10.018 1.00 0.00 C ATOM 1004 C GLU A 64 -7.013 -7.300 8.842 1.00 0.00 C ATOM 1005 O GLU A 64 -8.220 -7.162 9.039 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.510 -6.449 11.165 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.591 -4.970 10.834 1.00 0.00 C ATOM 1008 CD GLU A 64 -6.979 -4.143 12.042 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.137 -4.253 12.505 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.118 -3.398 12.562 1.00 0.00 O ATOM 0 H GLU A 64 -4.587 -5.981 9.366 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.006 -8.376 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.495 -6.788 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.836 -6.580 12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.628 -4.629 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.320 -4.815 10.038 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.496 -7.439 7.621 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.353 -7.523 6.441 1.00 0.00 C ATOM 1019 C PHE A 65 -7.813 -8.968 6.248 1.00 0.00 C ATOM 1020 O PHE A 65 -7.054 -9.809 5.769 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.621 -7.037 5.183 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.442 -6.100 4.338 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -7.471 -4.742 4.619 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.184 -6.572 3.266 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.221 -3.874 3.847 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -8.937 -5.707 2.491 1.00 0.00 C ATOM 1027 CZ PHE A 65 -8.956 -4.357 2.783 1.00 0.00 C ATOM 0 H PHE A 65 -5.497 -7.495 7.425 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.217 -6.877 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.700 -6.535 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.335 -7.900 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.900 -4.358 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.174 -7.627 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.232 -2.819 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.510 -6.088 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.544 -3.681 2.180 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.065 -9.275 6.622 1.00 0.00 N ATOM 1038 CA PRO A 66 -9.564 -10.648 6.653 1.00 0.00 C ATOM 1039 C PRO A 66 -10.137 -11.112 5.317 1.00 0.00 C ATOM 1040 O PRO A 66 -10.667 -12.219 5.207 1.00 0.00 O ATOM 1041 CB PRO A 66 -10.661 -10.567 7.709 1.00 0.00 C ATOM 1042 CG PRO A 66 -11.210 -9.184 7.586 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.099 -8.313 7.049 1.00 0.00 C ATOM 0 HA PRO A 66 -8.775 -11.369 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.434 -11.316 7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.262 -10.747 8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.070 -9.169 6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.553 -8.818 8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.441 -7.699 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.721 -7.633 7.812 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.023 -10.269 4.303 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.589 -10.574 2.998 1.00 0.00 C ATOM 1053 C GLN A 67 -9.682 -11.540 2.235 1.00 0.00 C ATOM 1054 O GLN A 67 -10.102 -12.634 1.854 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.791 -9.281 2.198 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.057 -9.261 1.346 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.122 -10.394 0.337 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -11.658 -10.266 -0.792 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -12.727 -11.506 0.729 1.00 0.00 N ATOM 0 H GLN A 67 -9.545 -9.370 4.358 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.558 -11.053 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.820 -8.440 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.928 -9.130 1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.927 -9.316 2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.115 -8.310 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.101 -11.577 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.819 -12.291 0.084 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.431 -11.141 2.043 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.479 -11.927 1.262 1.00 0.00 C ATOM 1070 C PHE A 68 -6.036 -11.548 1.589 1.00 0.00 C ATOM 1071 O PHE A 68 -5.761 -10.436 2.043 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.741 -11.778 -0.251 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.055 -10.379 -0.733 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.707 -9.252 0.002 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -8.711 -10.202 -1.939 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.010 -7.988 -0.459 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.013 -8.940 -2.404 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.664 -7.831 -1.662 1.00 0.00 C ATOM 0 H PHE A 68 -8.049 -10.273 2.419 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.625 -12.972 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.864 -12.138 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.572 -12.430 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.193 -9.367 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.990 -11.066 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.735 -7.121 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.523 -8.820 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.903 -6.841 -2.023 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.121 -12.485 1.361 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.698 -12.251 1.595 1.00 0.00 C ATOM 1090 C ASP A 69 -3.029 -11.798 0.307 1.00 0.00 C ATOM 1091 O ASP A 69 -2.295 -12.564 -0.323 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.999 -13.520 2.099 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.650 -14.116 3.324 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -3.451 -13.587 4.434 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -4.355 -15.141 3.184 1.00 0.00 O ATOM 0 H ASP A 69 -5.340 -13.418 1.013 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.610 -11.477 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.992 -14.263 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.959 -13.287 2.326 1.00 0.00 H new ATOM 1100 N TRP A 70 -3.301 -10.569 -0.098 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.783 -10.051 -1.358 1.00 0.00 C ATOM 1102 C TRP A 70 -1.377 -9.480 -1.206 1.00 0.00 C ATOM 1103 O TRP A 70 -0.871 -9.316 -0.093 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.733 -9.008 -1.967 1.00 0.00 C ATOM 1105 CG TRP A 70 -4.142 -7.881 -1.058 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.837 -7.699 0.265 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.960 -6.774 -1.435 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.425 -6.549 0.730 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -5.116 -5.959 -0.297 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.575 -6.392 -2.631 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.868 -4.789 -0.324 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -6.317 -5.232 -2.655 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.457 -4.441 -1.509 1.00 0.00 C ATOM 0 H TRP A 70 -3.877 -9.910 0.425 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.720 -10.895 -2.045 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.256 -8.582 -2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.633 -9.520 -2.307 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.224 -8.363 0.856 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.359 -6.192 1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.470 -6.996 -3.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.983 -4.177 0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.798 -4.928 -3.573 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.043 -3.535 -1.561 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.751 -9.193 -2.339 1.00 0.00 N ATOM 1125 CA GLN A 71 0.630 -8.734 -2.371 1.00 0.00 C ATOM 1126 C GLN A 71 0.705 -7.225 -2.188 1.00 0.00 C ATOM 1127 O GLN A 71 0.027 -6.472 -2.883 1.00 0.00 O ATOM 1128 CB GLN A 71 1.303 -9.114 -3.700 1.00 0.00 C ATOM 1129 CG GLN A 71 1.527 -10.611 -3.913 1.00 0.00 C ATOM 1130 CD GLN A 71 0.236 -11.412 -3.981 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.366 -11.469 -5.160 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -0.221 -11.958 -2.979 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.185 -9.272 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 71 1.155 -9.222 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.692 -8.734 -4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.266 -8.607 -3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.087 -10.759 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.143 -10.998 -3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.274 -11.890 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.096 -12.480 -3.037 1.00 0.00 H new ATOM 1141 N VAL A 72 1.534 -6.791 -1.253 1.00 0.00 N ATOM 1142 CA VAL A 72 1.743 -5.370 -1.020 1.00 0.00 C ATOM 1143 C VAL A 72 3.112 -4.962 -1.541 1.00 0.00 C ATOM 1144 O VAL A 72 4.129 -5.536 -1.151 1.00 0.00 O ATOM 1145 CB VAL A 72 1.624 -5.008 0.476 1.00 0.00 C ATOM 1146 CG1 VAL A 72 1.846 -3.519 0.690 1.00 0.00 C ATOM 1147 CG2 VAL A 72 0.273 -5.437 1.016 1.00 0.00 C ATOM 0 H VAL A 72 2.074 -7.403 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 72 0.964 -4.827 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 72 2.399 -5.544 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.757 -3.287 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.842 -3.246 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.098 -2.956 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.203 -5.175 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.518 -4.929 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.161 -6.515 0.901 1.00 0.00 H new ATOM 1157 N ALA A 73 3.131 -3.992 -2.444 1.00 0.00 N ATOM 1158 CA ALA A 73 4.371 -3.540 -3.051 1.00 0.00 C ATOM 1159 C ALA A 73 4.446 -2.017 -3.063 1.00 0.00 C ATOM 1160 O ALA A 73 3.421 -1.338 -2.995 1.00 0.00 O ATOM 1161 CB ALA A 73 4.477 -4.090 -4.460 1.00 0.00 C ATOM 0 H ALA A 73 2.298 -3.503 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 73 5.208 -3.910 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.408 -3.750 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.466 -5.179 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.634 -3.736 -5.053 1.00 0.00 H new ATOM 1167 N VAL A 74 5.656 -1.485 -3.166 1.00 0.00 N ATOM 1168 CA VAL A 74 5.865 -0.044 -3.127 1.00 0.00 C ATOM 1169 C VAL A 74 6.896 0.362 -4.177 1.00 0.00 C ATOM 1170 O VAL A 74 7.787 -0.417 -4.510 1.00 0.00 O ATOM 1171 CB VAL A 74 6.323 0.417 -1.719 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.657 -0.213 -1.340 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.401 1.934 -1.634 1.00 0.00 C ATOM 0 H VAL A 74 6.510 -2.031 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 74 4.916 0.445 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 74 5.574 0.078 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.952 0.129 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.558 -1.299 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.416 0.079 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.725 2.226 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.116 2.303 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.419 2.361 -1.836 1.00 0.00 H new ATOM 1183 N ALA A 75 6.750 1.558 -4.726 1.00 0.00 N ATOM 1184 CA ALA A 75 7.708 2.067 -5.695 1.00 0.00 C ATOM 1185 C ALA A 75 8.830 2.809 -4.983 1.00 0.00 C ATOM 1186 O ALA A 75 8.617 3.361 -3.904 1.00 0.00 O ATOM 1187 CB ALA A 75 7.021 2.982 -6.698 1.00 0.00 C ATOM 0 H ALA A 75 5.979 2.193 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 75 8.134 1.223 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.754 3.352 -7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.246 2.426 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.569 3.824 -6.173 1.00 0.00 H new ATOM 1193 N ASP A 76 10.018 2.813 -5.587 1.00 0.00 N ATOM 1194 CA ASP A 76 11.181 3.494 -5.012 1.00 0.00 C ATOM 1195 C ASP A 76 10.866 4.955 -4.717 1.00 0.00 C ATOM 1196 O ASP A 76 10.739 5.353 -3.558 1.00 0.00 O ATOM 1197 CB ASP A 76 12.385 3.416 -5.957 1.00 0.00 C ATOM 1198 CG ASP A 76 12.871 2.001 -6.183 1.00 0.00 C ATOM 1199 OD1 ASP A 76 12.242 1.278 -6.983 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.888 1.612 -5.577 1.00 0.00 O ATOM 0 H ASP A 76 10.202 2.351 -6.478 1.00 0.00 H new ATOM 0 HA ASP A 76 11.427 2.987 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.116 3.859 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.200 4.013 -5.548 1.00 0.00 H new ATOM 1205 N LEU A 77 10.745 5.750 -5.777 1.00 0.00 N ATOM 1206 CA LEU A 77 10.369 7.153 -5.649 1.00 0.00 C ATOM 1207 C LEU A 77 10.024 7.744 -7.010 1.00 0.00 C ATOM 1208 O LEU A 77 9.037 8.466 -7.149 1.00 0.00 O ATOM 1209 CB LEU A 77 11.476 7.988 -4.972 1.00 0.00 C ATOM 1210 CG LEU A 77 12.772 8.197 -5.772 1.00 0.00 C ATOM 1211 CD1 LEU A 77 13.590 9.315 -5.149 1.00 0.00 C ATOM 1212 CD2 LEU A 77 13.604 6.921 -5.827 1.00 0.00 C ATOM 0 H LEU A 77 10.903 5.444 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 77 9.487 7.192 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.063 8.968 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.733 7.509 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 77 12.497 8.467 -6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.507 9.457 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.010 10.238 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.841 9.053 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.513 7.104 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.868 6.615 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.026 6.130 -6.306 1.00 0.00 H new ATOM 1224 N GLU A 78 10.823 7.406 -8.015 1.00 0.00 N ATOM 1225 CA GLU A 78 10.655 7.967 -9.349 1.00 0.00 C ATOM 1226 C GLU A 78 9.436 7.356 -10.042 1.00 0.00 C ATOM 1227 O GLU A 78 8.583 8.076 -10.564 1.00 0.00 O ATOM 1228 CB GLU A 78 11.924 7.725 -10.176 1.00 0.00 C ATOM 1229 CG GLU A 78 12.201 8.789 -11.234 1.00 0.00 C ATOM 1230 CD GLU A 78 11.150 8.848 -12.323 1.00 0.00 C ATOM 1231 OE1 GLU A 78 11.088 7.910 -13.142 1.00 0.00 O ATOM 1232 OE2 GLU A 78 10.385 9.836 -12.363 1.00 0.00 O ATOM 0 H GLU A 78 11.595 6.745 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 78 10.489 9.041 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.778 7.671 -9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.844 6.755 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.266 9.763 -10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.172 8.594 -11.688 1.00 0.00 H new ATOM 1239 N GLN A 79 9.348 6.024 -10.009 1.00 0.00 N ATOM 1240 CA GLN A 79 8.298 5.292 -10.721 1.00 0.00 C ATOM 1241 C GLN A 79 6.902 5.758 -10.332 1.00 0.00 C ATOM 1242 O GLN A 79 5.979 5.658 -11.129 1.00 0.00 O ATOM 1243 CB GLN A 79 8.400 3.784 -10.477 1.00 0.00 C ATOM 1244 CG GLN A 79 9.758 3.199 -10.813 1.00 0.00 C ATOM 1245 CD GLN A 79 10.662 3.104 -9.604 1.00 0.00 C ATOM 1246 OE1 GLN A 79 11.387 4.043 -9.274 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.609 1.967 -8.931 1.00 0.00 N ATOM 0 H GLN A 79 9.995 5.428 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 79 8.455 5.502 -11.779 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.176 3.579 -9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.640 3.277 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.626 2.206 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.237 3.815 -11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.992 1.217 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.185 1.840 -8.099 1.00 0.00 H new ATOM 1256 N SER A 80 6.756 6.260 -9.110 1.00 0.00 N ATOM 1257 CA SER A 80 5.469 6.721 -8.606 1.00 0.00 C ATOM 1258 C SER A 80 4.789 7.688 -9.577 1.00 0.00 C ATOM 1259 O SER A 80 3.575 7.631 -9.769 1.00 0.00 O ATOM 1260 CB SER A 80 5.667 7.382 -7.245 1.00 0.00 C ATOM 1261 OG SER A 80 6.357 6.509 -6.368 1.00 0.00 O ATOM 0 H SER A 80 7.523 6.358 -8.445 1.00 0.00 H new ATOM 0 HA SER A 80 4.813 5.857 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.229 8.309 -7.362 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.700 7.647 -6.818 1.00 0.00 H new ATOM 0 HG SER A 80 6.920 7.033 -5.760 1.00 0.00 H new ATOM 1267 N GLU A 81 5.570 8.557 -10.208 1.00 0.00 N ATOM 1268 CA GLU A 81 5.008 9.525 -11.139 1.00 0.00 C ATOM 1269 C GLU A 81 4.613 8.835 -12.440 1.00 0.00 C ATOM 1270 O GLU A 81 3.544 9.092 -12.985 1.00 0.00 O ATOM 1271 CB GLU A 81 6.004 10.659 -11.402 1.00 0.00 C ATOM 1272 CG GLU A 81 5.412 11.839 -12.165 1.00 0.00 C ATOM 1273 CD GLU A 81 5.823 11.863 -13.624 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.984 12.224 -13.906 1.00 0.00 O ATOM 1275 OE2 GLU A 81 4.991 11.534 -14.496 1.00 0.00 O ATOM 0 H GLU A 81 6.582 8.611 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 81 4.113 9.960 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.394 11.015 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.850 10.263 -11.964 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.325 11.799 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.726 12.768 -11.689 1.00 0.00 H new ATOM 1282 N ALA A 82 5.466 7.934 -12.911 1.00 0.00 N ATOM 1283 CA ALA A 82 5.198 7.196 -14.136 1.00 0.00 C ATOM 1284 C ALA A 82 4.004 6.255 -13.968 1.00 0.00 C ATOM 1285 O ALA A 82 3.236 6.037 -14.906 1.00 0.00 O ATOM 1286 CB ALA A 82 6.435 6.423 -14.561 1.00 0.00 C ATOM 0 H ALA A 82 6.350 7.697 -12.461 1.00 0.00 H new ATOM 0 HA ALA A 82 4.945 7.913 -14.917 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.224 5.874 -15.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.256 7.118 -14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.714 5.721 -13.775 1.00 0.00 H new ATOM 1292 N ILE A 83 3.853 5.699 -12.770 1.00 0.00 N ATOM 1293 CA ILE A 83 2.722 4.832 -12.466 1.00 0.00 C ATOM 1294 C ILE A 83 1.429 5.642 -12.425 1.00 0.00 C ATOM 1295 O ILE A 83 0.412 5.235 -12.984 1.00 0.00 O ATOM 1296 CB ILE A 83 2.914 4.083 -11.126 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.149 3.179 -11.192 1.00 0.00 C ATOM 1298 CG2 ILE A 83 1.676 3.264 -10.782 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.468 2.479 -9.887 1.00 0.00 C ATOM 0 H ILE A 83 4.501 5.834 -11.994 1.00 0.00 H new ATOM 0 HA ILE A 83 2.660 4.088 -13.260 1.00 0.00 H new ATOM 0 HB ILE A 83 3.064 4.823 -10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.997 2.429 -11.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.009 3.777 -11.492 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.834 2.746 -9.836 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.815 3.926 -10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.493 2.533 -11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.355 1.858 -10.014 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.654 3.222 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.625 1.852 -9.595 1.00 0.00 H new ATOM 1311 N GLY A 84 1.476 6.801 -11.775 1.00 0.00 N ATOM 1312 CA GLY A 84 0.321 7.679 -11.750 1.00 0.00 C ATOM 1313 C GLY A 84 -0.011 8.192 -13.135 1.00 0.00 C ATOM 1314 O GLY A 84 -1.175 8.438 -13.456 1.00 0.00 O ATOM 0 H GLY A 84 2.290 7.147 -11.267 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.537 7.143 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.516 8.521 -11.085 1.00 0.00 H new ATOM 1318 N ASP A 85 1.030 8.345 -13.945 1.00 0.00 N ATOM 1319 CA ASP A 85 0.908 8.767 -15.338 1.00 0.00 C ATOM 1320 C ASP A 85 0.207 7.701 -16.165 1.00 0.00 C ATOM 1321 O ASP A 85 -0.594 8.010 -17.045 1.00 0.00 O ATOM 1322 CB ASP A 85 2.306 9.022 -15.905 1.00 0.00 C ATOM 1323 CG ASP A 85 2.296 9.516 -17.336 1.00 0.00 C ATOM 1324 OD1 ASP A 85 2.074 10.727 -17.552 1.00 0.00 O ATOM 1325 OD2 ASP A 85 2.535 8.698 -18.249 1.00 0.00 O ATOM 0 H ASP A 85 1.993 8.178 -13.652 1.00 0.00 H new ATOM 0 HA ASP A 85 0.314 9.680 -15.381 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.815 9.755 -15.279 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.885 8.100 -15.851 1.00 0.00 H new ATOM 1330 N ARG A 86 0.538 6.447 -15.868 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.089 5.284 -16.502 1.00 0.00 C ATOM 1332 C ARG A 86 -1.606 5.410 -16.484 1.00 0.00 C ATOM 1333 O ARG A 86 -2.276 5.134 -17.478 1.00 0.00 O ATOM 1334 CB ARG A 86 0.344 4.009 -15.768 1.00 0.00 C ATOM 1335 CG ARG A 86 -0.395 2.742 -16.181 1.00 0.00 C ATOM 1336 CD ARG A 86 -0.194 2.395 -17.649 1.00 0.00 C ATOM 1337 NE ARG A 86 -0.825 1.118 -17.985 1.00 0.00 N ATOM 1338 CZ ARG A 86 -1.664 0.939 -19.005 1.00 0.00 C ATOM 1339 NH1 ARG A 86 -1.971 1.944 -19.816 1.00 0.00 N ATOM 1340 NH2 ARG A 86 -2.199 -0.254 -19.216 1.00 0.00 N ATOM 0 H ARG A 86 1.250 6.205 -15.179 1.00 0.00 H new ATOM 0 HA ARG A 86 0.234 5.233 -17.542 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.411 3.858 -15.932 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.205 4.160 -14.698 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.053 1.910 -15.565 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.460 2.867 -15.984 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.613 3.185 -18.272 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.872 2.346 -17.871 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.608 0.311 -17.400 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.563 2.866 -19.662 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.614 1.794 -20.593 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.969 -1.033 -18.599 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.841 -0.394 -19.996 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.141 5.820 -15.348 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.572 6.058 -15.241 1.00 0.00 C ATOM 1356 C PHE A 87 -3.889 7.474 -15.708 1.00 0.00 C ATOM 1357 O PHE A 87 -4.294 7.672 -16.855 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.065 5.877 -13.803 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.392 4.769 -13.045 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.536 3.443 -13.426 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.613 5.061 -11.940 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.910 2.433 -12.717 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.990 4.060 -11.229 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.137 2.743 -11.617 1.00 0.00 C ATOM 0 H PHE A 87 -1.613 5.994 -14.493 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.083 5.330 -15.871 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.917 6.812 -13.262 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.138 5.687 -13.822 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.143 3.196 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.492 6.089 -11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.026 1.404 -13.024 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.386 4.305 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.648 1.957 -11.061 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.642 8.435 -14.807 1.00 0.00 N ATOM 1375 CA ASN A 88 -3.909 9.869 -15.015 1.00 0.00 C ATOM 1376 C ASN A 88 -4.130 10.532 -13.651 1.00 0.00 C ATOM 1377 O ASN A 88 -4.928 11.459 -13.506 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.140 10.116 -15.910 1.00 0.00 C ATOM 1379 CG ASN A 88 -5.254 11.562 -16.373 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -4.263 12.288 -16.451 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -6.462 11.981 -16.717 1.00 0.00 N ATOM 0 H ASN A 88 -3.241 8.234 -13.891 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.047 10.300 -15.525 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.086 9.464 -16.782 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.042 9.843 -15.362 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.593 12.933 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.261 11.352 -16.639 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.405 10.060 -12.643 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.604 10.541 -11.282 1.00 0.00 C ATOM 1390 C VAL A 89 -2.867 11.855 -11.065 1.00 0.00 C ATOM 1391 O VAL A 89 -1.655 11.876 -10.857 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.149 9.505 -10.228 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.464 9.993 -8.821 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -3.806 8.158 -10.489 1.00 0.00 C ATOM 0 H VAL A 89 -2.679 9.350 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.675 10.701 -11.153 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.069 9.383 -10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.135 9.249 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.944 10.933 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.538 10.147 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.475 7.440 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.889 8.265 -10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.525 7.802 -11.480 1.00 0.00 H new ATOM 1404 N ARG A 90 -3.608 12.950 -11.148 1.00 0.00 N ATOM 1405 CA ARG A 90 -3.038 14.280 -10.970 1.00 0.00 C ATOM 1406 C ARG A 90 -3.230 14.766 -9.540 1.00 0.00 C ATOM 1407 O ARG A 90 -2.626 15.756 -9.128 1.00 0.00 O ATOM 1408 CB ARG A 90 -3.695 15.271 -11.932 1.00 0.00 C ATOM 1409 CG ARG A 90 -3.523 14.919 -13.401 1.00 0.00 C ATOM 1410 CD ARG A 90 -2.065 14.964 -13.823 1.00 0.00 C ATOM 1411 NE ARG A 90 -1.906 14.705 -15.250 1.00 0.00 N ATOM 1412 CZ ARG A 90 -0.742 14.768 -15.895 1.00 0.00 C ATOM 1413 NH1 ARG A 90 0.365 15.101 -15.243 1.00 0.00 N ATOM 1414 NH2 ARG A 90 -0.695 14.516 -17.193 1.00 0.00 N ATOM 0 H ARG A 90 -4.610 12.945 -11.338 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.971 14.218 -11.182 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.760 15.329 -11.706 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.278 16.262 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.925 13.923 -13.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.100 15.614 -14.012 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.647 15.941 -13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.499 14.226 -13.254 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.738 14.460 -15.787 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.326 15.310 -14.245 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.255 15.148 -15.740 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.548 14.274 -17.697 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.195 14.563 -17.690 1.00 0.00 H new ATOM 1428 N ARG A 91 -4.068 14.070 -8.782 1.00 0.00 N ATOM 1429 CA ARG A 91 -4.420 14.508 -7.438 1.00 0.00 C ATOM 1430 C ARG A 91 -4.086 13.447 -6.399 1.00 0.00 C ATOM 1431 O ARG A 91 -4.839 12.490 -6.228 1.00 0.00 O ATOM 1432 CB ARG A 91 -5.910 14.850 -7.356 1.00 0.00 C ATOM 1433 CG ARG A 91 -6.344 15.927 -8.336 1.00 0.00 C ATOM 1434 CD ARG A 91 -5.638 17.245 -8.064 1.00 0.00 C ATOM 1435 NE ARG A 91 -5.857 18.209 -9.142 1.00 0.00 N ATOM 1436 CZ ARG A 91 -5.469 19.485 -9.097 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -4.875 19.965 -8.009 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -5.685 20.282 -10.143 1.00 0.00 N ATOM 0 H ARG A 91 -4.516 13.201 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.830 15.399 -7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.492 13.947 -7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.143 15.178 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.130 15.602 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.422 16.070 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.997 17.663 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.569 17.068 -7.946 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.337 17.885 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.715 19.358 -7.205 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.580 20.941 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.146 19.916 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.389 21.258 -10.110 1.00 0.00 H new ATOM 1452 N PHE A 92 -2.944 13.626 -5.737 1.00 0.00 N ATOM 1453 CA PHE A 92 -2.534 12.789 -4.605 1.00 0.00 C ATOM 1454 C PHE A 92 -2.279 11.337 -5.003 1.00 0.00 C ATOM 1455 O PHE A 92 -3.209 10.542 -5.135 1.00 0.00 O ATOM 1456 CB PHE A 92 -3.572 12.841 -3.477 1.00 0.00 C ATOM 1457 CG PHE A 92 -3.724 14.200 -2.852 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.900 14.590 -1.808 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -4.689 15.084 -3.305 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -3.036 15.837 -1.228 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -4.830 16.332 -2.730 1.00 0.00 C ATOM 1462 CZ PHE A 92 -4.003 16.710 -1.692 1.00 0.00 C ATOM 0 H PHE A 92 -2.273 14.358 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.590 13.203 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.538 12.522 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.291 12.126 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.143 13.912 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.339 14.794 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.389 16.129 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.587 17.012 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.111 17.686 -1.243 1.00 0.00 H new ATOM 1472 N PRO A 93 -1.004 10.974 -5.207 1.00 0.00 N ATOM 1473 CA PRO A 93 -0.607 9.581 -5.414 1.00 0.00 C ATOM 1474 C PRO A 93 -0.781 8.775 -4.128 1.00 0.00 C ATOM 1475 O PRO A 93 -0.653 9.315 -3.027 1.00 0.00 O ATOM 1476 CB PRO A 93 0.873 9.673 -5.809 1.00 0.00 C ATOM 1477 CG PRO A 93 1.120 11.114 -6.109 1.00 0.00 C ATOM 1478 CD PRO A 93 0.149 11.881 -5.261 1.00 0.00 C ATOM 0 HA PRO A 93 -1.210 9.077 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.517 9.325 -5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.086 9.050 -6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.148 11.391 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.966 11.325 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.551 12.088 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.110 12.841 -5.707 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.058 7.484 -4.257 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.446 6.678 -3.111 1.00 0.00 C ATOM 1488 C ALA A 94 -1.228 5.202 -3.392 1.00 0.00 C ATOM 1489 O ALA A 94 -0.450 4.838 -4.272 1.00 0.00 O ATOM 1490 CB ALA A 94 -2.910 6.943 -2.783 1.00 0.00 C ATOM 0 H ALA A 94 -1.021 6.976 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.826 6.953 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.205 6.340 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.045 7.999 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.529 6.679 -3.641 1.00 0.00 H new ATOM 1496 N THR A 95 -1.911 4.358 -2.638 1.00 0.00 N ATOM 1497 CA THR A 95 -1.848 2.927 -2.844 1.00 0.00 C ATOM 1498 C THR A 95 -3.056 2.482 -3.658 1.00 0.00 C ATOM 1499 O THR A 95 -4.192 2.650 -3.222 1.00 0.00 O ATOM 1500 CB THR A 95 -1.828 2.183 -1.495 1.00 0.00 C ATOM 1501 OG1 THR A 95 -0.898 2.817 -0.610 1.00 0.00 O ATOM 1502 CG2 THR A 95 -1.437 0.727 -1.681 1.00 0.00 C ATOM 0 H THR A 95 -2.520 4.646 -1.872 1.00 0.00 H new ATOM 0 HA THR A 95 -0.931 2.689 -3.382 1.00 0.00 H new ATOM 0 HB THR A 95 -2.831 2.220 -1.069 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.273 2.842 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.431 0.225 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.156 0.238 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.443 0.671 -2.125 1.00 0.00 H new ATOM 1510 N LEU A 96 -2.815 1.940 -4.841 1.00 0.00 N ATOM 1511 CA LEU A 96 -3.894 1.537 -5.720 1.00 0.00 C ATOM 1512 C LEU A 96 -4.303 0.093 -5.449 1.00 0.00 C ATOM 1513 O LEU A 96 -3.456 -0.791 -5.310 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.451 1.686 -7.177 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.313 3.117 -7.710 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -4.666 3.806 -7.759 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -2.331 3.946 -6.897 1.00 0.00 C ATOM 0 H LEU A 96 -1.880 1.770 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.755 2.179 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.490 1.185 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.166 1.156 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.914 3.039 -8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.544 4.820 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.334 3.249 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.092 3.844 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.269 4.951 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.672 4.003 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.347 3.479 -6.929 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.609 -0.125 -5.375 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.173 -1.432 -5.062 1.00 0.00 C ATOM 1531 C VAL A 97 -6.413 -2.232 -6.336 1.00 0.00 C ATOM 1532 O VAL A 97 -7.248 -1.861 -7.162 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.509 -1.283 -4.296 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.169 -2.634 -4.070 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.287 -0.573 -2.970 1.00 0.00 C ATOM 0 H VAL A 97 -6.309 0.601 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.456 -1.961 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.179 -0.680 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.105 -2.496 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.371 -3.105 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.504 -3.271 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.237 -0.477 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.592 -1.150 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.872 0.418 -3.153 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.679 -3.322 -6.494 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.819 -4.180 -7.656 1.00 0.00 C ATOM 1547 C PHE A 98 -6.384 -5.530 -7.248 1.00 0.00 C ATOM 1548 O PHE A 98 -5.852 -6.208 -6.370 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.474 -4.371 -8.360 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.912 -3.108 -8.952 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.158 -2.242 -8.183 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.143 -2.788 -10.280 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.649 -1.078 -8.725 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.632 -1.628 -10.825 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.885 -0.772 -10.047 1.00 0.00 C ATOM 0 H PHE A 98 -4.975 -3.634 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.507 -3.699 -8.351 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.756 -4.777 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.591 -5.111 -9.152 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.965 -2.478 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.730 -3.454 -10.896 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.066 -0.407 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.818 -1.391 -11.862 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.485 0.137 -10.472 1.00 0.00 H new ATOM 1565 N THR A 99 -7.478 -5.900 -7.878 1.00 0.00 N ATOM 1566 CA THR A 99 -8.131 -7.169 -7.618 1.00 0.00 C ATOM 1567 C THR A 99 -8.757 -7.675 -8.910 1.00 0.00 C ATOM 1568 O THR A 99 -9.181 -6.877 -9.743 1.00 0.00 O ATOM 1569 CB THR A 99 -9.225 -7.028 -6.544 1.00 0.00 C ATOM 1570 OG1 THR A 99 -8.829 -6.054 -5.572 1.00 0.00 O ATOM 1571 CG2 THR A 99 -9.476 -8.353 -5.845 1.00 0.00 C ATOM 0 H THR A 99 -7.942 -5.330 -8.586 1.00 0.00 H new ATOM 0 HA THR A 99 -7.385 -7.873 -7.251 1.00 0.00 H new ATOM 0 HB THR A 99 -10.144 -6.711 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.529 -5.967 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.253 -8.225 -5.091 1.00 0.00 H new ATOM 0 HG22 THR A 99 -9.798 -9.095 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.557 -8.691 -5.365 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.791 -8.997 -9.078 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.326 -9.626 -10.292 1.00 0.00 C ATOM 1581 C ASP A 100 -8.416 -9.332 -11.480 1.00 0.00 C ATOM 1582 O ASP A 100 -8.770 -9.570 -12.636 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.745 -9.121 -10.579 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.544 -10.041 -11.485 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.362 -11.275 -11.398 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.387 -9.535 -12.260 1.00 0.00 O ATOM 0 H ASP A 100 -8.451 -9.661 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.366 -10.704 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -11.277 -9.001 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.685 -8.134 -11.038 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.225 -8.833 -11.178 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.314 -8.392 -12.211 1.00 0.00 C ATOM 1593 C GLY A 101 -6.676 -7.012 -12.717 1.00 0.00 C ATOM 1594 O GLY A 101 -6.087 -6.519 -13.675 1.00 0.00 O ATOM 0 H GLY A 101 -6.873 -8.726 -10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.296 -8.382 -11.820 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.331 -9.100 -13.039 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.657 -6.386 -12.070 1.00 0.00 N ATOM 1599 CA LYS A 102 -8.136 -5.075 -12.490 1.00 0.00 C ATOM 1600 C LYS A 102 -7.985 -4.047 -11.369 1.00 0.00 C ATOM 1601 O LYS A 102 -7.919 -4.401 -10.192 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.602 -5.189 -12.908 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.831 -6.229 -13.994 1.00 0.00 C ATOM 1604 CD LYS A 102 -11.251 -6.756 -13.970 1.00 0.00 C ATOM 1605 CE LYS A 102 -11.427 -7.908 -14.943 1.00 0.00 C ATOM 1606 NZ LYS A 102 -12.703 -8.627 -14.712 1.00 0.00 N ATOM 0 H LYS A 102 -8.134 -6.767 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.536 -4.735 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.204 -5.444 -12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.950 -4.219 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.622 -5.790 -14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.133 -7.056 -13.860 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.502 -7.087 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.944 -5.953 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.402 -7.529 -15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.593 -8.603 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.940 -9.192 -15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.603 -9.255 -13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.462 -7.939 -14.532 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.930 -2.775 -11.738 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.826 -1.707 -10.756 1.00 0.00 C ATOM 1622 C LEU A 103 -9.205 -1.404 -10.179 1.00 0.00 C ATOM 1623 O LEU A 103 -10.113 -0.992 -10.900 1.00 0.00 O ATOM 1624 CB LEU A 103 -7.216 -0.452 -11.391 1.00 0.00 C ATOM 1625 CG LEU A 103 -7.032 0.742 -10.450 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.135 0.373 -9.278 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.462 1.929 -11.212 1.00 0.00 C ATOM 0 H LEU A 103 -7.956 -2.459 -12.707 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.169 -2.029 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.245 -0.714 -11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.849 -0.143 -12.222 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.007 1.022 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.019 1.236 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.585 -0.448 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.158 0.066 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.336 2.771 -10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.496 1.658 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.146 2.209 -12.014 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.356 -1.629 -8.884 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.635 -1.447 -8.211 1.00 0.00 C ATOM 1641 C ARG A 104 -10.767 -0.030 -7.662 1.00 0.00 C ATOM 1642 O ARG A 104 -11.766 0.650 -7.895 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.768 -2.454 -7.069 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.765 -3.911 -7.511 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.159 -4.407 -7.873 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.714 -3.746 -9.056 1.00 0.00 N ATOM 1647 CZ ARG A 104 -13.704 -4.250 -9.792 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -14.252 -5.414 -9.465 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -14.154 -3.580 -10.846 1.00 0.00 N ATOM 0 H ARG A 104 -8.602 -1.941 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.430 -1.611 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.949 -2.298 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.693 -2.253 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.106 -4.026 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.357 -4.530 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.121 -5.482 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.827 -4.245 -7.027 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.320 -2.847 -9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.915 -5.925 -8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.010 -5.798 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.742 -2.680 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.912 -3.965 -11.410 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.749 0.410 -6.939 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.782 1.724 -6.331 1.00 0.00 C ATOM 1665 C GLY A 105 -8.439 2.110 -5.754 1.00 0.00 C ATOM 1666 O GLY A 105 -7.400 1.720 -6.285 1.00 0.00 O ATOM 0 H GLY A 105 -8.897 -0.122 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.083 2.461 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.535 1.741 -5.543 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.458 2.850 -4.657 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.232 3.290 -4.009 1.00 0.00 C ATOM 1672 C ALA A 106 -7.421 3.361 -2.499 1.00 0.00 C ATOM 1673 O ALA A 106 -8.550 3.336 -2.009 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.796 4.641 -4.555 1.00 0.00 C ATOM 0 H ALA A 106 -9.313 3.160 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.449 2.562 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.877 4.955 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.620 4.560 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.578 5.378 -4.370 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.319 3.447 -1.769 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.371 3.522 -0.318 1.00 0.00 C ATOM 1682 C LEU A 107 -6.609 4.966 0.109 1.00 0.00 C ATOM 1683 O LEU A 107 -5.667 5.736 0.289 1.00 0.00 O ATOM 1684 CB LEU A 107 -5.070 2.973 0.294 1.00 0.00 C ATOM 1685 CG LEU A 107 -5.171 2.431 1.733 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -5.439 3.544 2.740 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -6.251 1.361 1.822 1.00 0.00 C ATOM 0 H LEU A 107 -5.377 3.467 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.196 2.909 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.700 2.174 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.323 3.766 0.278 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.209 1.986 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.503 3.120 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.627 4.270 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.379 4.038 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -6.310 0.988 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.212 1.789 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.005 0.539 1.150 1.00 0.00 H new ATOM 1699 N SER A 108 -7.874 5.335 0.218 1.00 0.00 N ATOM 1700 CA SER A 108 -8.250 6.678 0.632 1.00 0.00 C ATOM 1701 C SER A 108 -8.793 6.674 2.060 1.00 0.00 C ATOM 1702 O SER A 108 -9.371 7.658 2.522 1.00 0.00 O ATOM 1703 CB SER A 108 -9.291 7.234 -0.339 1.00 0.00 C ATOM 1704 OG SER A 108 -10.322 6.289 -0.570 1.00 0.00 O ATOM 0 H SER A 108 -8.664 4.719 0.024 1.00 0.00 H new ATOM 0 HA SER A 108 -7.366 7.316 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.717 8.152 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.812 7.494 -1.283 1.00 0.00 H new ATOM 0 HG SER A 108 -10.978 6.666 -1.193 1.00 0.00 H new ATOM 1710 N GLY A 109 -8.579 5.566 2.762 1.00 0.00 N ATOM 1711 CA GLY A 109 -9.074 5.431 4.120 1.00 0.00 C ATOM 1712 C GLY A 109 -8.194 6.143 5.128 1.00 0.00 C ATOM 1713 O GLY A 109 -7.603 5.514 6.003 1.00 0.00 O ATOM 0 H GLY A 109 -8.069 4.755 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.086 5.833 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.136 4.374 4.378 1.00 0.00 H new ATOM 1717 N ILE A 110 -8.110 7.460 4.997 1.00 0.00 N ATOM 1718 CA ILE A 110 -7.291 8.276 5.886 1.00 0.00 C ATOM 1719 C ILE A 110 -8.074 8.622 7.157 1.00 0.00 C ATOM 1720 O ILE A 110 -7.513 9.060 8.165 1.00 0.00 O ATOM 1721 CB ILE A 110 -6.829 9.569 5.169 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -5.793 10.318 6.011 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -8.022 10.466 4.857 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -5.199 11.516 5.305 1.00 0.00 C ATOM 0 H ILE A 110 -8.603 7.990 4.278 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.406 7.703 6.164 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.359 9.286 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.259 10.647 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.991 9.631 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.676 11.369 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.718 9.933 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.525 10.738 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -4.473 12.000 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.704 11.191 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.992 12.222 5.057 1.00 0.00 H new ATOM 1736 N HIS A 111 -9.379 8.410 7.095 1.00 0.00 N ATOM 1737 CA HIS A 111 -10.264 8.642 8.224 1.00 0.00 C ATOM 1738 C HIS A 111 -10.442 7.326 8.984 1.00 0.00 C ATOM 1739 O HIS A 111 -10.821 6.321 8.386 1.00 0.00 O ATOM 1740 CB HIS A 111 -11.603 9.182 7.702 1.00 0.00 C ATOM 1741 CG HIS A 111 -12.546 9.691 8.750 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -13.909 9.577 8.631 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -12.326 10.355 9.911 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -14.493 10.145 9.668 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -13.554 10.626 10.463 1.00 0.00 N ATOM 0 H HIS A 111 -9.855 8.072 6.259 1.00 0.00 H new ATOM 0 HA HIS A 111 -9.845 9.379 8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -11.400 9.989 6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -12.101 8.390 7.143 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -14.396 9.122 7.858 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -11.365 10.621 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -15.558 10.206 9.838 1.00 0.00 H new ATOM 1754 N PRO A 112 -10.126 7.315 10.298 1.00 0.00 N ATOM 1755 CA PRO A 112 -10.087 6.088 11.119 1.00 0.00 C ATOM 1756 C PRO A 112 -11.361 5.237 11.062 1.00 0.00 C ATOM 1757 O PRO A 112 -12.291 5.429 11.851 1.00 0.00 O ATOM 1758 CB PRO A 112 -9.863 6.614 12.540 1.00 0.00 C ATOM 1759 CG PRO A 112 -9.181 7.923 12.350 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.755 8.503 11.089 1.00 0.00 C ATOM 0 HA PRO A 112 -9.312 5.413 10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.807 6.732 13.073 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -9.250 5.928 13.125 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.357 8.583 13.200 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -8.102 7.793 12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.620 9.133 11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -9.027 9.122 10.565 1.00 0.00 H new ATOM 1768 N TRP A 113 -11.385 4.312 10.104 1.00 0.00 N ATOM 1769 CA TRP A 113 -12.437 3.305 9.983 1.00 0.00 C ATOM 1770 C TRP A 113 -13.820 3.917 9.763 1.00 0.00 C ATOM 1771 O TRP A 113 -13.935 5.068 9.333 1.00 0.00 O ATOM 1772 CB TRP A 113 -12.427 2.371 11.195 1.00 0.00 C ATOM 1773 CG TRP A 113 -12.023 0.980 10.817 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -12.845 -0.023 10.388 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -10.694 0.448 10.799 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -12.108 -1.148 10.113 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.787 -0.885 10.356 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -9.435 0.966 11.116 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.671 -1.704 10.221 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -8.327 0.152 10.981 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.450 -1.171 10.535 1.00 0.00 C ATOM 0 H TRP A 113 -10.667 4.240 9.383 1.00 0.00 H new ATOM 0 HA TRP A 113 -12.219 2.719 9.090 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.740 2.758 11.947 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.418 2.352 11.648 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -13.917 0.057 10.281 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.484 -2.036 9.781 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.330 1.984 11.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.765 -2.725 9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.349 0.542 11.223 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.565 -1.782 10.437 1.00 0.00 H new ATOM 1792 N ALA A 114 -14.858 3.112 10.028 1.00 0.00 N ATOM 1793 CA ALA A 114 -16.254 3.479 9.777 1.00 0.00 C ATOM 1794 C ALA A 114 -16.561 3.482 8.280 1.00 0.00 C ATOM 1795 O ALA A 114 -17.351 2.669 7.796 1.00 0.00 O ATOM 1796 CB ALA A 114 -16.605 4.820 10.412 1.00 0.00 C ATOM 0 H ALA A 114 -14.749 2.179 10.426 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.881 2.721 10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.648 5.059 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -16.453 4.763 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.965 5.598 9.996 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.905 4.370 7.548 1.00 0.00 N ATOM 1803 CA GLU A 115 -16.133 4.507 6.114 1.00 0.00 C ATOM 1804 C GLU A 115 -15.388 3.426 5.339 1.00 0.00 C ATOM 1805 O GLU A 115 -15.722 3.131 4.191 1.00 0.00 O ATOM 1806 CB GLU A 115 -15.713 5.900 5.643 1.00 0.00 C ATOM 1807 CG GLU A 115 -14.299 6.286 6.043 1.00 0.00 C ATOM 1808 CD GLU A 115 -13.968 7.713 5.670 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -14.536 8.636 6.293 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -13.143 7.918 4.757 1.00 0.00 O ATOM 0 H GLU A 115 -15.206 5.011 7.925 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.198 4.382 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.798 5.947 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.408 6.635 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -14.180 6.157 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.590 5.613 5.561 1.00 0.00 H new ATOM 1817 N LEU A 116 -14.387 2.826 5.978 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.663 1.703 5.386 1.00 0.00 C ATOM 1819 C LEU A 116 -14.611 0.553 5.083 1.00 0.00 C ATOM 1820 O LEU A 116 -14.436 -0.160 4.099 1.00 0.00 O ATOM 1821 CB LEU A 116 -12.538 1.232 6.312 1.00 0.00 C ATOM 1822 CG LEU A 116 -11.230 2.015 6.192 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -10.284 1.649 7.322 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.573 1.743 4.845 1.00 0.00 C ATOM 0 H LEU A 116 -14.059 3.098 6.905 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.220 2.044 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.887 1.293 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.335 0.181 6.106 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.457 3.079 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.359 2.216 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.751 1.885 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.062 0.583 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.643 2.307 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.360 0.678 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.246 2.049 4.044 1.00 0.00 H new ATOM 1836 N LEU A 117 -15.628 0.399 5.917 1.00 0.00 N ATOM 1837 CA LEU A 117 -16.625 -0.643 5.719 1.00 0.00 C ATOM 1838 C LEU A 117 -17.409 -0.379 4.436 1.00 0.00 C ATOM 1839 O LEU A 117 -17.720 -1.301 3.681 1.00 0.00 O ATOM 1840 CB LEU A 117 -17.573 -0.703 6.917 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.898 -0.916 8.277 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.938 -0.950 9.386 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -16.079 -2.199 8.275 1.00 0.00 C ATOM 0 H LEU A 117 -15.785 0.983 6.738 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.118 -1.604 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -18.144 0.225 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -18.287 -1.510 6.754 1.00 0.00 H new ATOM 0 HG LEU A 117 -16.223 -0.080 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -17.443 -1.102 10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.482 -0.005 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -18.636 -1.767 9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.608 -2.332 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -16.732 -3.047 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.309 -2.138 7.505 1.00 0.00 H new ATOM 1855 N THR A 118 -17.710 0.891 4.195 1.00 0.00 N ATOM 1856 CA THR A 118 -18.411 1.305 2.990 1.00 0.00 C ATOM 1857 C THR A 118 -17.525 1.119 1.761 1.00 0.00 C ATOM 1858 O THR A 118 -17.966 0.605 0.730 1.00 0.00 O ATOM 1859 CB THR A 118 -18.824 2.788 3.088 1.00 0.00 C ATOM 1860 OG1 THR A 118 -19.320 3.067 4.403 1.00 0.00 O ATOM 1861 CG2 THR A 118 -19.892 3.123 2.057 1.00 0.00 C ATOM 0 H THR A 118 -17.476 1.657 4.826 1.00 0.00 H new ATOM 0 HA THR A 118 -19.301 0.684 2.893 1.00 0.00 H new ATOM 0 HB THR A 118 -17.946 3.403 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.580 4.010 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.167 4.174 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 118 -19.504 2.933 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.771 2.502 2.229 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.270 1.539 1.885 1.00 0.00 N ATOM 1870 CA LEU A 119 -15.316 1.443 0.791 1.00 0.00 C ATOM 1871 C LEU A 119 -15.083 -0.011 0.395 1.00 0.00 C ATOM 1872 O LEU A 119 -15.185 -0.363 -0.778 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.988 2.098 1.179 1.00 0.00 C ATOM 1874 CG LEU A 119 -14.055 3.602 1.457 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.695 4.123 1.898 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.537 4.348 0.223 1.00 0.00 C ATOM 0 H LEU A 119 -15.891 1.951 2.738 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.735 1.971 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.602 1.598 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.269 1.925 0.378 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.767 3.773 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.761 5.194 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.386 3.608 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.963 3.941 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.579 5.416 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -13.847 4.170 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.530 3.993 -0.052 1.00 0.00 H new ATOM 1888 N MET A 120 -14.803 -0.856 1.380 1.00 0.00 N ATOM 1889 CA MET A 120 -14.539 -2.267 1.115 1.00 0.00 C ATOM 1890 C MET A 120 -15.752 -2.951 0.500 1.00 0.00 C ATOM 1891 O MET A 120 -15.608 -3.790 -0.383 1.00 0.00 O ATOM 1892 CB MET A 120 -14.124 -3.000 2.392 1.00 0.00 C ATOM 1893 CG MET A 120 -12.753 -2.599 2.912 1.00 0.00 C ATOM 1894 SD MET A 120 -12.244 -3.566 4.347 1.00 0.00 S ATOM 1895 CE MET A 120 -13.542 -3.163 5.514 1.00 0.00 C ATOM 0 H MET A 120 -14.753 -0.592 2.364 1.00 0.00 H new ATOM 0 HA MET A 120 -13.716 -2.311 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.866 -2.809 3.167 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.131 -4.073 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 120 -12.017 -2.721 2.117 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.764 -1.542 3.177 1.00 0.00 H new ATOM 0 HE1 MET A 120 -13.266 -3.525 6.504 1.00 0.00 H new ATOM 0 HE2 MET A 120 -13.678 -2.082 5.548 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.473 -3.636 5.201 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.943 -2.571 0.950 1.00 0.00 N ATOM 1906 CA ARG A 121 -18.176 -3.185 0.466 1.00 0.00 C ATOM 1907 C ARG A 121 -18.302 -3.069 -1.055 1.00 0.00 C ATOM 1908 O ARG A 121 -18.563 -4.058 -1.742 1.00 0.00 O ATOM 1909 CB ARG A 121 -19.392 -2.543 1.150 1.00 0.00 C ATOM 1910 CG ARG A 121 -20.723 -3.156 0.729 1.00 0.00 C ATOM 1911 CD ARG A 121 -21.765 -3.073 1.837 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.882 -1.726 2.399 1.00 0.00 N ATOM 1913 CZ ARG A 121 -23.043 -1.089 2.577 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -24.180 -1.637 2.178 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -23.070 0.099 3.158 1.00 0.00 N ATOM 0 H ARG A 121 -17.082 -1.841 1.649 1.00 0.00 H new ATOM 0 HA ARG A 121 -18.142 -4.245 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.283 -2.638 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.405 -1.477 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.095 -2.642 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.570 -4.199 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.733 -3.384 1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.503 -3.773 2.631 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.025 -1.245 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.175 -2.553 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.061 -1.143 2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.202 0.533 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.959 0.581 3.292 1.00 0.00 H new ATOM 1929 N SER A 122 -18.131 -1.860 -1.572 1.00 0.00 N ATOM 1930 CA SER A 122 -18.244 -1.606 -2.984 1.00 0.00 C ATOM 1931 C SER A 122 -17.007 -2.075 -3.767 1.00 0.00 C ATOM 1932 O SER A 122 -17.124 -2.536 -4.905 1.00 0.00 O ATOM 1933 CB SER A 122 -18.464 -0.112 -3.171 1.00 0.00 C ATOM 1934 OG SER A 122 -19.629 0.322 -2.478 1.00 0.00 O ATOM 0 H SER A 122 -17.910 -1.034 -1.016 1.00 0.00 H new ATOM 0 HA SER A 122 -19.084 -2.175 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.595 0.436 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.562 0.115 -4.233 1.00 0.00 H new ATOM 0 HG SER A 122 -19.749 1.285 -2.611 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.831 -1.963 -3.157 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.578 -2.234 -3.858 1.00 0.00 C ATOM 1942 C ILE A 123 -14.229 -3.725 -3.876 1.00 0.00 C ATOM 1943 O ILE A 123 -13.934 -4.283 -4.934 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.409 -1.436 -3.231 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.622 0.071 -3.431 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.068 -1.866 -3.813 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -13.743 0.483 -4.883 1.00 0.00 C ATOM 0 H ILE A 123 -15.718 -1.687 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.726 -1.912 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.393 -1.650 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -14.524 0.375 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -12.789 0.610 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.268 -1.286 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -11.909 -2.926 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.066 -1.694 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -13.892 1.561 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.831 0.212 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -14.593 -0.027 -5.336 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.285 -4.369 -2.719 1.00 0.00 N ATOM 1960 CA VAL A 124 -13.869 -5.760 -2.597 1.00 0.00 C ATOM 1961 C VAL A 124 -14.937 -6.592 -1.900 1.00 0.00 C ATOM 1962 O VAL A 124 -14.839 -6.900 -0.713 1.00 0.00 O ATOM 1963 CB VAL A 124 -12.510 -5.908 -1.862 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -11.363 -5.511 -2.780 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.474 -5.071 -0.587 1.00 0.00 C ATOM 0 H VAL A 124 -14.615 -3.950 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 124 -13.736 -6.135 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.396 -6.956 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.417 -5.621 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.362 -6.154 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.487 -4.473 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.509 -5.197 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.619 -4.020 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.268 -5.397 0.085 1.00 0.00 H new ATOM 1975 N ASP A 125 -15.976 -6.914 -2.655 1.00 0.00 N ATOM 1976 CA ASP A 125 -17.071 -7.744 -2.165 1.00 0.00 C ATOM 1977 C ASP A 125 -16.594 -9.174 -1.909 1.00 0.00 C ATOM 1978 O ASP A 125 -16.410 -9.576 -0.759 1.00 0.00 O ATOM 1979 CB ASP A 125 -18.216 -7.741 -3.183 1.00 0.00 C ATOM 1980 CG ASP A 125 -19.389 -8.604 -2.764 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -20.227 -8.130 -1.970 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -19.490 -9.753 -3.246 1.00 0.00 O ATOM 0 H ASP A 125 -16.086 -6.609 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 125 -17.428 -7.331 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.560 -6.717 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -17.840 -8.092 -4.144 1.00 0.00 H new