USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= -0.388 USER MOD Set 1.2: A 115 THR OG1 : rot -120:sc= -3.87! USER MOD Set 2.1: A 49 ASN : amide:sc= -1.79 K(o=-9.3,f=-6.7) USER MOD Set 2.2: A 53 GLN : amide:sc= -1.61 K(o=-9.3,f=-6.7) USER MOD Set 2.3: A 65 MET CE :methyl -112:sc= -5.93! (180deg=-4.99!) USER MOD Set 3.1: A 44 TYR OH : rot 23:sc= 1.05 USER MOD Set 3.2: A 114 CYS SG : rot 116:sc= -0.46 USER MOD Single : A 15 GLN : amide:sc= -0.588 K(o=-0.59,f=-4.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -83:sc= -1.15 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.65 K(o=-3.6,f=-6!) USER MOD Single : A 37 THR OG1 : rot 150:sc= -3.63 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 40 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.6) USER MOD Single : A 43 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.3) USER MOD Single : A 46 ASN : amide:sc= -0.0214 K(o=-0.021,f=-0.87) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -80:sc= 0.976 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00475 X(o=-0.0047,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00845 USER MOD Single : A 92 MET CE :methyl -118:sc= -1.5 (180deg=-5.7!) USER MOD Single : A 94 HIS : no HE2:sc= -3.99 K(o=-4,f=-5.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 107 LYS NZ :NH3+ -140:sc= -1.21 (180deg=-2.59!) USER MOD Single : A 112 SER OG : rot 32:sc= 0.0183 USER MOD Single : A 117 CYS SG : rot -130:sc= -2.62 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 1.533 14.621 4.088 1.00 0.00 N ATOM 152 CA ASP A 12 1.626 13.299 4.697 1.00 0.00 C ATOM 153 C ASP A 12 0.716 12.305 3.982 1.00 0.00 C ATOM 154 O ASP A 12 1.042 11.123 3.865 1.00 0.00 O ATOM 155 CB ASP A 12 1.261 13.372 6.183 1.00 0.00 C ATOM 156 CG ASP A 12 2.398 12.925 7.080 1.00 0.00 C ATOM 157 OD1 ASP A 12 2.951 11.832 6.839 1.00 0.00 O ATOM 158 OD2 ASP A 12 2.737 13.671 8.024 1.00 0.00 O ATOM 0 HA ASP A 12 2.655 12.953 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.983 14.395 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.387 12.748 6.371 1.00 0.00 H new ATOM 163 N ASP A 13 -0.424 12.791 3.506 1.00 0.00 N ATOM 164 CA ASP A 13 -1.382 11.946 2.802 1.00 0.00 C ATOM 165 C ASP A 13 -0.778 11.400 1.512 1.00 0.00 C ATOM 166 O ASP A 13 -0.800 10.193 1.267 1.00 0.00 O ATOM 167 CB ASP A 13 -2.656 12.732 2.489 1.00 0.00 C ATOM 168 CG ASP A 13 -3.858 11.830 2.289 1.00 0.00 C ATOM 169 OD1 ASP A 13 -4.027 11.307 1.167 1.00 0.00 O ATOM 170 OD2 ASP A 13 -4.629 11.646 3.253 1.00 0.00 O ATOM 0 H ASP A 13 -0.708 13.767 3.595 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.633 11.106 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.859 13.428 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.500 13.329 1.590 1.00 0.00 H new ATOM 175 N PHE A 14 -0.239 12.296 0.692 1.00 0.00 N ATOM 176 CA PHE A 14 0.371 11.904 -0.575 1.00 0.00 C ATOM 177 C PHE A 14 1.708 11.205 -0.347 1.00 0.00 C ATOM 178 O PHE A 14 2.134 10.382 -1.157 1.00 0.00 O ATOM 179 CB PHE A 14 0.563 13.126 -1.473 1.00 0.00 C ATOM 180 CG PHE A 14 -0.709 13.600 -2.118 1.00 0.00 C ATOM 181 CD1 PHE A 14 -1.224 12.946 -3.226 1.00 0.00 C ATOM 182 CD2 PHE A 14 -1.389 14.696 -1.614 1.00 0.00 C ATOM 183 CE1 PHE A 14 -2.394 13.379 -3.820 1.00 0.00 C ATOM 184 CE2 PHE A 14 -2.561 15.133 -2.203 1.00 0.00 C ATOM 185 CZ PHE A 14 -3.064 14.473 -3.307 1.00 0.00 C ATOM 0 H PHE A 14 -0.212 13.298 0.881 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.301 11.202 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.987 13.938 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.288 12.886 -2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.705 12.089 -3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.999 15.215 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.784 12.863 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.082 15.989 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.980 14.812 -3.769 1.00 0.00 H new ATOM 195 N GLN A 15 2.363 11.528 0.766 1.00 0.00 N ATOM 196 CA GLN A 15 3.642 10.916 1.095 1.00 0.00 C ATOM 197 C GLN A 15 3.422 9.486 1.556 1.00 0.00 C ATOM 198 O GLN A 15 4.210 8.588 1.251 1.00 0.00 O ATOM 199 CB GLN A 15 4.354 11.718 2.188 1.00 0.00 C ATOM 200 CG GLN A 15 5.772 11.247 2.461 1.00 0.00 C ATOM 201 CD GLN A 15 6.755 11.704 1.401 1.00 0.00 C ATOM 202 OE1 GLN A 15 6.467 11.647 0.206 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.924 12.159 1.835 1.00 0.00 N ATOM 0 H GLN A 15 2.029 12.207 1.450 1.00 0.00 H new ATOM 0 HA GLN A 15 4.271 10.913 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.378 12.769 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.775 11.654 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.093 11.620 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.784 10.159 2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.120 12.188 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.626 12.479 1.168 1.00 0.00 H new ATOM 212 N PHE A 16 2.329 9.279 2.282 1.00 0.00 N ATOM 213 CA PHE A 16 1.985 7.959 2.775 1.00 0.00 C ATOM 214 C PHE A 16 1.800 6.996 1.610 1.00 0.00 C ATOM 215 O PHE A 16 2.166 5.824 1.691 1.00 0.00 O ATOM 216 CB PHE A 16 0.711 8.015 3.619 1.00 0.00 C ATOM 217 CG PHE A 16 0.344 6.695 4.237 1.00 0.00 C ATOM 218 CD1 PHE A 16 1.069 6.192 5.304 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.725 5.962 3.750 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.735 4.978 5.874 1.00 0.00 C ATOM 221 CE2 PHE A 16 -1.063 4.748 4.316 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.333 4.255 5.379 1.00 0.00 C ATOM 0 H PHE A 16 1.668 10.012 2.540 1.00 0.00 H new ATOM 0 HA PHE A 16 2.801 7.602 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.840 8.754 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.114 8.357 2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.904 6.754 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.300 6.343 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.308 4.595 6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.898 4.185 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.596 3.306 5.823 1.00 0.00 H new ATOM 232 N LEU A 17 1.236 7.508 0.521 1.00 0.00 N ATOM 233 CA LEU A 17 1.008 6.703 -0.672 1.00 0.00 C ATOM 234 C LEU A 17 2.336 6.275 -1.282 1.00 0.00 C ATOM 235 O LEU A 17 2.469 5.162 -1.788 1.00 0.00 O ATOM 236 CB LEU A 17 0.183 7.485 -1.695 1.00 0.00 C ATOM 237 CG LEU A 17 -1.297 7.102 -1.748 1.00 0.00 C ATOM 238 CD1 LEU A 17 -2.175 8.304 -1.429 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.655 6.526 -3.111 1.00 0.00 C ATOM 0 H LEU A 17 0.929 8.477 0.441 1.00 0.00 H new ATOM 0 HA LEU A 17 0.451 5.811 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.261 8.548 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.619 7.336 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.477 6.336 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.224 8.010 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.941 8.670 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.989 9.094 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.712 6.260 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.456 7.269 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.054 5.636 -3.299 1.00 0.00 H new ATOM 251 N SER A 18 3.328 7.156 -1.214 1.00 0.00 N ATOM 252 CA SER A 18 4.646 6.842 -1.745 1.00 0.00 C ATOM 253 C SER A 18 5.151 5.550 -1.117 1.00 0.00 C ATOM 254 O SER A 18 5.821 4.745 -1.765 1.00 0.00 O ATOM 255 CB SER A 18 5.626 7.983 -1.463 1.00 0.00 C ATOM 256 OG SER A 18 6.858 7.775 -2.129 1.00 0.00 O ATOM 0 H SER A 18 3.245 8.085 -0.800 1.00 0.00 H new ATOM 0 HA SER A 18 4.571 6.715 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.190 8.929 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.798 8.061 -0.390 1.00 0.00 H new ATOM 0 HG SER A 18 7.465 8.519 -1.933 1.00 0.00 H new ATOM 262 N ASP A 19 4.805 5.358 0.153 1.00 0.00 N ATOM 263 CA ASP A 19 5.199 4.163 0.886 1.00 0.00 C ATOM 264 C ASP A 19 4.329 2.969 0.501 1.00 0.00 C ATOM 265 O ASP A 19 4.845 1.886 0.226 1.00 0.00 O ATOM 266 CB ASP A 19 5.108 4.410 2.394 1.00 0.00 C ATOM 267 CG ASP A 19 5.792 5.698 2.811 1.00 0.00 C ATOM 268 OD1 ASP A 19 6.863 6.011 2.248 1.00 0.00 O ATOM 269 OD2 ASP A 19 5.258 6.393 3.699 1.00 0.00 O ATOM 0 H ASP A 19 4.250 6.019 0.696 1.00 0.00 H new ATOM 0 HA ASP A 19 6.232 3.934 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.060 4.446 2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.561 3.573 2.925 1.00 0.00 H new ATOM 274 N VAL A 20 3.007 3.163 0.481 1.00 0.00 N ATOM 275 CA VAL A 20 2.097 2.078 0.126 1.00 0.00 C ATOM 276 C VAL A 20 2.409 1.561 -1.271 1.00 0.00 C ATOM 277 O VAL A 20 2.530 0.356 -1.484 1.00 0.00 O ATOM 278 CB VAL A 20 0.612 2.500 0.220 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.379 3.311 1.481 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.167 3.279 -1.010 1.00 0.00 C ATOM 0 H VAL A 20 2.551 4.048 0.703 1.00 0.00 H new ATOM 0 HA VAL A 20 2.253 1.279 0.851 1.00 0.00 H new ATOM 0 HB VAL A 20 0.009 1.593 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.670 3.603 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.635 2.709 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.004 4.204 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.882 3.557 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.773 4.180 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.291 2.659 -1.898 1.00 0.00 H new ATOM 290 N LEU A 21 2.569 2.481 -2.215 1.00 0.00 N ATOM 291 CA LEU A 21 2.902 2.108 -3.582 1.00 0.00 C ATOM 292 C LEU A 21 4.244 1.384 -3.602 1.00 0.00 C ATOM 293 O LEU A 21 4.543 0.627 -4.526 1.00 0.00 O ATOM 294 CB LEU A 21 2.959 3.348 -4.478 1.00 0.00 C ATOM 295 CG LEU A 21 1.635 4.101 -4.626 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.855 5.432 -5.328 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.625 3.255 -5.386 1.00 0.00 C ATOM 0 H LEU A 21 2.474 3.485 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 21 2.128 1.443 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.706 4.033 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.301 3.047 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 21 1.237 4.300 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.903 5.954 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.545 6.041 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.275 5.256 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.311 3.805 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.015 3.026 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.446 2.327 -4.843 1.00 0.00 H new ATOM 309 N ASP A 22 5.043 1.621 -2.563 1.00 0.00 N ATOM 310 CA ASP A 22 6.349 0.994 -2.438 1.00 0.00 C ATOM 311 C ASP A 22 6.212 -0.450 -1.963 1.00 0.00 C ATOM 312 O ASP A 22 7.089 -1.277 -2.211 1.00 0.00 O ATOM 313 CB ASP A 22 7.226 1.781 -1.462 1.00 0.00 C ATOM 314 CG ASP A 22 8.670 1.863 -1.920 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.938 2.565 -2.915 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.531 1.223 -1.279 1.00 0.00 O ATOM 0 H ASP A 22 4.803 2.247 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 22 6.821 0.995 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.826 2.788 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.185 1.310 -0.480 1.00 0.00 H new ATOM 321 N CYS A 23 5.107 -0.749 -1.275 1.00 0.00 N ATOM 322 CA CYS A 23 4.865 -2.098 -0.768 1.00 0.00 C ATOM 323 C CYS A 23 5.131 -3.149 -1.845 1.00 0.00 C ATOM 324 O CYS A 23 5.324 -2.818 -3.016 1.00 0.00 O ATOM 325 CB CYS A 23 3.428 -2.224 -0.242 1.00 0.00 C ATOM 326 SG CYS A 23 2.173 -2.501 -1.520 1.00 0.00 S ATOM 0 H CYS A 23 4.370 -0.078 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 23 5.557 -2.276 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.388 -3.047 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.175 -1.316 0.305 1.00 0.00 H new ATOM 0 HG CYS A 23 1.828 -1.362 -2.043 1.00 0.00 H new ATOM 332 N ARG A 24 5.139 -4.415 -1.444 1.00 0.00 N ATOM 333 CA ARG A 24 5.383 -5.510 -2.375 1.00 0.00 C ATOM 334 C ARG A 24 4.088 -6.241 -2.712 1.00 0.00 C ATOM 335 O ARG A 24 3.948 -6.803 -3.799 1.00 0.00 O ATOM 336 CB ARG A 24 6.403 -6.487 -1.785 1.00 0.00 C ATOM 337 CG ARG A 24 7.821 -6.268 -2.289 1.00 0.00 C ATOM 338 CD ARG A 24 8.218 -4.802 -2.229 1.00 0.00 C ATOM 339 NE ARG A 24 9.637 -4.606 -2.512 1.00 0.00 N ATOM 340 CZ ARG A 24 10.167 -3.439 -2.874 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.400 -2.363 -2.997 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.467 -3.349 -3.114 1.00 0.00 N ATOM 0 H ARG A 24 4.979 -4.708 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 24 5.785 -5.089 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.395 -6.395 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.096 -7.506 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.515 -6.858 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.902 -6.625 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.624 -4.236 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.987 -4.404 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 24 10.259 -5.410 -2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.399 -2.427 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.812 -1.472 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.061 -4.173 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.874 -2.456 -3.391 1.00 0.00 H new ATOM 356 N ALA A 25 3.145 -6.231 -1.777 1.00 0.00 N ATOM 357 CA ALA A 25 1.864 -6.895 -1.980 1.00 0.00 C ATOM 358 C ALA A 25 0.725 -6.098 -1.354 1.00 0.00 C ATOM 359 O ALA A 25 0.869 -5.541 -0.265 1.00 0.00 O ATOM 360 CB ALA A 25 1.904 -8.303 -1.408 1.00 0.00 C ATOM 0 H ALA A 25 3.244 -5.771 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 25 1.681 -6.956 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.941 -8.788 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.685 -8.876 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.115 -8.256 -0.340 1.00 0.00 H new ATOM 366 N VAL A 26 -0.407 -6.053 -2.048 1.00 0.00 N ATOM 367 CA VAL A 26 -1.573 -5.330 -1.561 1.00 0.00 C ATOM 368 C VAL A 26 -2.695 -6.294 -1.192 1.00 0.00 C ATOM 369 O VAL A 26 -3.336 -6.880 -2.065 1.00 0.00 O ATOM 370 CB VAL A 26 -2.096 -4.331 -2.612 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.191 -3.457 -2.020 1.00 0.00 C ATOM 372 CG2 VAL A 26 -0.958 -3.480 -3.153 1.00 0.00 C ATOM 0 H VAL A 26 -0.541 -6.510 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.259 -4.779 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.523 -4.895 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.548 -2.758 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.018 -4.085 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.793 -2.901 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.347 -2.781 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.499 -2.924 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.212 -4.124 -3.618 1.00 0.00 H new ATOM 382 N ARG A 27 -2.926 -6.455 0.106 1.00 0.00 N ATOM 383 CA ARG A 27 -3.970 -7.349 0.591 1.00 0.00 C ATOM 384 C ARG A 27 -4.757 -6.701 1.723 1.00 0.00 C ATOM 385 O ARG A 27 -4.466 -5.578 2.128 1.00 0.00 O ATOM 386 CB ARG A 27 -3.356 -8.666 1.071 1.00 0.00 C ATOM 387 CG ARG A 27 -3.258 -9.724 -0.016 1.00 0.00 C ATOM 388 CD ARG A 27 -4.616 -10.017 -0.636 1.00 0.00 C ATOM 389 NE ARG A 27 -4.635 -9.733 -2.071 1.00 0.00 N ATOM 390 CZ ARG A 27 -5.443 -8.845 -2.649 1.00 0.00 C ATOM 391 NH1 ARG A 27 -6.308 -8.142 -1.927 1.00 0.00 N ATOM 392 NH2 ARG A 27 -5.385 -8.659 -3.961 1.00 0.00 N ATOM 0 H ARG A 27 -2.404 -5.978 0.841 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.654 -7.552 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.359 -8.470 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.954 -9.057 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.569 -9.388 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.844 -10.641 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.872 -11.063 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.379 -9.419 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.988 -10.248 -2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.359 -8.279 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.921 -7.465 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.724 -9.195 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.002 -7.980 -4.408 1.00 0.00 H new ATOM 406 N SER A 28 -5.755 -7.416 2.229 1.00 0.00 N ATOM 407 CA SER A 28 -6.583 -6.908 3.316 1.00 0.00 C ATOM 408 C SER A 28 -6.474 -7.807 4.544 1.00 0.00 C ATOM 409 O SER A 28 -6.204 -9.001 4.428 1.00 0.00 O ATOM 410 CB SER A 28 -8.043 -6.808 2.871 1.00 0.00 C ATOM 411 OG SER A 28 -8.572 -8.086 2.563 1.00 0.00 O ATOM 0 H SER A 28 -6.010 -8.349 1.904 1.00 0.00 H new ATOM 0 HA SER A 28 -6.224 -5.913 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.636 -6.346 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.116 -6.161 1.997 1.00 0.00 H new ATOM 0 HG SER A 28 -9.507 -7.994 2.283 1.00 0.00 H new ATOM 417 N ALA A 29 -6.685 -7.224 5.719 1.00 0.00 N ATOM 418 CA ALA A 29 -6.611 -7.977 6.964 1.00 0.00 C ATOM 419 C ALA A 29 -7.801 -8.921 7.100 1.00 0.00 C ATOM 420 O ALA A 29 -7.678 -10.019 7.642 1.00 0.00 O ATOM 421 CB ALA A 29 -6.545 -7.031 8.154 1.00 0.00 C ATOM 0 H ALA A 29 -6.908 -6.235 5.835 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.701 -8.577 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.490 -7.610 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.660 -6.400 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.437 -6.405 8.171 1.00 0.00 H new ATOM 427 N MET A 30 -8.952 -8.485 6.598 1.00 0.00 N ATOM 428 CA MET A 30 -10.167 -9.293 6.657 1.00 0.00 C ATOM 429 C MET A 30 -9.947 -10.659 6.011 1.00 0.00 C ATOM 430 O MET A 30 -10.594 -11.641 6.374 1.00 0.00 O ATOM 431 CB MET A 30 -11.321 -8.567 5.963 1.00 0.00 C ATOM 432 CG MET A 30 -11.908 -7.430 6.784 1.00 0.00 C ATOM 433 SD MET A 30 -13.496 -6.861 6.146 1.00 0.00 S ATOM 434 CE MET A 30 -13.743 -5.380 7.123 1.00 0.00 C ATOM 0 H MET A 30 -9.070 -7.578 6.146 1.00 0.00 H new ATOM 0 HA MET A 30 -10.421 -9.445 7.706 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.969 -8.172 5.010 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.109 -9.286 5.739 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.032 -7.758 7.816 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.206 -6.596 6.797 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.687 -4.913 6.843 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.767 -5.642 8.181 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.925 -4.683 6.940 1.00 0.00 H new ATOM 444 N ASN A 31 -9.027 -10.712 5.050 1.00 0.00 N ATOM 445 CA ASN A 31 -8.718 -11.955 4.351 1.00 0.00 C ATOM 446 C ASN A 31 -7.338 -11.878 3.703 1.00 0.00 C ATOM 447 O ASN A 31 -7.191 -12.093 2.501 1.00 0.00 O ATOM 448 CB ASN A 31 -9.781 -12.245 3.289 1.00 0.00 C ATOM 449 CG ASN A 31 -10.084 -13.725 3.163 1.00 0.00 C ATOM 450 OD1 ASN A 31 -11.154 -14.187 3.561 1.00 0.00 O ATOM 451 ND2 ASN A 31 -9.141 -14.477 2.607 1.00 0.00 N ATOM 0 H ASN A 31 -8.483 -9.907 4.738 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.715 -12.766 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.697 -11.710 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.442 -11.863 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.288 -15.480 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.269 -14.051 2.291 1.00 0.00 H new ATOM 458 N LEU A 32 -6.329 -11.565 4.510 1.00 0.00 N ATOM 459 CA LEU A 32 -4.958 -11.453 4.020 1.00 0.00 C ATOM 460 C LEU A 32 -4.506 -12.735 3.323 1.00 0.00 C ATOM 461 O LEU A 32 -3.580 -12.717 2.513 1.00 0.00 O ATOM 462 CB LEU A 32 -4.009 -11.124 5.176 1.00 0.00 C ATOM 463 CG LEU A 32 -3.245 -9.807 5.033 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.349 -9.577 6.240 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.426 -9.805 3.751 1.00 0.00 C ATOM 0 H LEU A 32 -6.435 -11.384 5.508 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.931 -10.645 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.585 -11.093 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.288 -11.935 5.276 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.967 -8.992 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.813 -8.635 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.958 -9.536 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.633 -10.394 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.888 -8.861 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.712 -10.628 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.090 -9.924 2.895 1.00 0.00 H new ATOM 477 N ARG A 33 -5.159 -13.848 3.645 1.00 0.00 N ATOM 478 CA ARG A 33 -4.813 -15.134 3.050 1.00 0.00 C ATOM 479 C ARG A 33 -5.200 -15.194 1.572 1.00 0.00 C ATOM 480 O ARG A 33 -4.808 -16.119 0.861 1.00 0.00 O ATOM 481 CB ARG A 33 -5.494 -16.271 3.813 1.00 0.00 C ATOM 482 CG ARG A 33 -7.012 -16.190 3.805 1.00 0.00 C ATOM 483 CD ARG A 33 -7.638 -17.385 4.506 1.00 0.00 C ATOM 484 NE ARG A 33 -8.681 -18.011 3.698 1.00 0.00 N ATOM 485 CZ ARG A 33 -9.939 -17.576 3.641 1.00 0.00 C ATOM 486 NH1 ARG A 33 -10.315 -16.513 4.340 1.00 0.00 N ATOM 487 NH2 ARG A 33 -10.824 -18.208 2.882 1.00 0.00 N ATOM 0 H ARG A 33 -5.929 -13.885 4.313 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.731 -15.248 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.188 -17.223 3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.144 -16.264 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.331 -15.271 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.369 -16.142 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.864 -18.119 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.061 -17.066 5.459 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.431 -18.830 3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.639 -16.023 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.280 -16.186 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.541 -19.026 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.787 -17.876 2.838 1.00 0.00 H new ATOM 501 N ALA A 34 -5.968 -14.209 1.110 1.00 0.00 N ATOM 502 CA ALA A 34 -6.396 -14.172 -0.284 1.00 0.00 C ATOM 503 C ALA A 34 -6.808 -12.763 -0.703 1.00 0.00 C ATOM 504 O ALA A 34 -6.845 -11.846 0.114 1.00 0.00 O ATOM 505 CB ALA A 34 -7.543 -15.145 -0.508 1.00 0.00 C ATOM 0 H ALA A 34 -6.304 -13.431 1.678 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.550 -14.471 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.853 -15.108 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.216 -16.155 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.383 -14.870 0.130 1.00 0.00 H new ATOM 511 N ALA A 35 -7.120 -12.602 -1.986 1.00 0.00 N ATOM 512 CA ALA A 35 -7.532 -11.308 -2.515 1.00 0.00 C ATOM 513 C ALA A 35 -9.051 -11.178 -2.505 1.00 0.00 C ATOM 514 O ALA A 35 -9.760 -12.113 -2.133 1.00 0.00 O ATOM 515 CB ALA A 35 -6.992 -11.117 -3.925 1.00 0.00 C ATOM 0 H ALA A 35 -7.095 -13.352 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.119 -10.529 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.308 -10.146 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.903 -11.163 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.378 -11.905 -4.572 1.00 0.00 H new ATOM 521 N LEU A 36 -9.548 -10.014 -2.915 1.00 0.00 N ATOM 522 CA LEU A 36 -10.986 -9.775 -2.947 1.00 0.00 C ATOM 523 C LEU A 36 -11.549 -10.038 -4.338 1.00 0.00 C ATOM 524 O LEU A 36 -12.316 -10.980 -4.541 1.00 0.00 O ATOM 525 CB LEU A 36 -11.288 -8.337 -2.521 1.00 0.00 C ATOM 526 CG LEU A 36 -10.723 -7.935 -1.158 1.00 0.00 C ATOM 527 CD1 LEU A 36 -9.375 -7.248 -1.320 1.00 0.00 C ATOM 528 CD2 LEU A 36 -11.699 -7.027 -0.422 1.00 0.00 C ATOM 0 H LEU A 36 -8.980 -9.227 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.464 -10.462 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.891 -7.659 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.369 -8.198 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.580 -8.839 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.989 -6.969 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.676 -7.929 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.494 -6.353 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.280 -6.751 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.874 -6.127 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.642 -7.552 -0.273 1.00 0.00 H new ATOM 540 N THR A 37 -11.153 -9.208 -5.294 1.00 0.00 N ATOM 541 CA THR A 37 -11.606 -9.351 -6.674 1.00 0.00 C ATOM 542 C THR A 37 -11.048 -8.232 -7.545 1.00 0.00 C ATOM 543 O THR A 37 -10.627 -7.191 -7.040 1.00 0.00 O ATOM 544 CB THR A 37 -13.137 -9.355 -6.748 1.00 0.00 C ATOM 545 OG1 THR A 37 -13.702 -8.773 -5.584 1.00 0.00 O ATOM 546 CG2 THR A 37 -13.724 -10.742 -6.912 1.00 0.00 C ATOM 0 H THR A 37 -10.517 -8.426 -5.140 1.00 0.00 H new ATOM 0 HA THR A 37 -11.235 -10.305 -7.049 1.00 0.00 H new ATOM 0 HB THR A 37 -13.385 -8.770 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.556 -8.350 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.811 -10.674 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.349 -11.189 -7.833 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.435 -11.362 -6.064 1.00 0.00 H new ATOM 554 N SER A 38 -11.050 -8.450 -8.858 1.00 0.00 N ATOM 555 CA SER A 38 -10.547 -7.454 -9.799 1.00 0.00 C ATOM 556 C SER A 38 -11.225 -6.108 -9.570 1.00 0.00 C ATOM 557 O SER A 38 -10.570 -5.066 -9.552 1.00 0.00 O ATOM 558 CB SER A 38 -10.778 -7.919 -11.238 1.00 0.00 C ATOM 559 OG SER A 38 -10.658 -9.327 -11.346 1.00 0.00 O ATOM 0 H SER A 38 -11.394 -9.306 -9.293 1.00 0.00 H new ATOM 0 HA SER A 38 -9.476 -7.336 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.769 -7.609 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.057 -7.438 -11.899 1.00 0.00 H new ATOM 0 HG SER A 38 -10.812 -9.598 -12.275 1.00 0.00 H new ATOM 565 N PHE A 39 -12.541 -6.142 -9.390 1.00 0.00 N ATOM 566 CA PHE A 39 -13.312 -4.929 -9.153 1.00 0.00 C ATOM 567 C PHE A 39 -13.098 -4.425 -7.730 1.00 0.00 C ATOM 568 O PHE A 39 -13.085 -3.219 -7.482 1.00 0.00 O ATOM 569 CB PHE A 39 -14.800 -5.187 -9.399 1.00 0.00 C ATOM 570 CG PHE A 39 -15.533 -3.998 -9.948 1.00 0.00 C ATOM 571 CD1 PHE A 39 -15.521 -3.726 -11.306 1.00 0.00 C ATOM 572 CD2 PHE A 39 -16.235 -3.150 -9.105 1.00 0.00 C ATOM 573 CE1 PHE A 39 -16.196 -2.632 -11.814 1.00 0.00 C ATOM 574 CE2 PHE A 39 -16.912 -2.055 -9.608 1.00 0.00 C ATOM 575 CZ PHE A 39 -16.892 -1.795 -10.964 1.00 0.00 C ATOM 0 H PHE A 39 -13.096 -6.998 -9.404 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.967 -4.164 -9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -14.906 -6.021 -10.093 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.267 -5.491 -8.462 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.978 -4.376 -11.976 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.253 -3.347 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.179 -2.432 -12.875 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.456 -1.403 -8.941 1.00 0.00 H new ATOM 0 HZ PHE A 39 -17.419 -0.939 -11.359 1.00 0.00 H new ATOM 585 N GLN A 40 -12.931 -5.359 -6.797 1.00 0.00 N ATOM 586 CA GLN A 40 -12.719 -5.011 -5.398 1.00 0.00 C ATOM 587 C GLN A 40 -11.471 -4.152 -5.232 1.00 0.00 C ATOM 588 O GLN A 40 -11.539 -3.034 -4.720 1.00 0.00 O ATOM 589 CB GLN A 40 -12.602 -6.275 -4.544 1.00 0.00 C ATOM 590 CG GLN A 40 -13.901 -6.662 -3.857 1.00 0.00 C ATOM 591 CD GLN A 40 -14.126 -5.902 -2.564 1.00 0.00 C ATOM 592 OE1 GLN A 40 -13.768 -4.731 -2.450 1.00 0.00 O ATOM 593 NE2 GLN A 40 -14.721 -6.569 -1.582 1.00 0.00 N ATOM 0 H GLN A 40 -12.939 -6.361 -6.986 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.581 -4.435 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.273 -7.101 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.831 -6.124 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.735 -6.476 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.893 -7.732 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.001 -7.540 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.898 -6.110 -0.688 1.00 0.00 H new ATOM 602 N VAL A 41 -10.333 -4.678 -5.672 1.00 0.00 N ATOM 603 CA VAL A 41 -9.072 -3.955 -5.572 1.00 0.00 C ATOM 604 C VAL A 41 -9.145 -2.625 -6.315 1.00 0.00 C ATOM 605 O VAL A 41 -8.540 -1.636 -5.900 1.00 0.00 O ATOM 606 CB VAL A 41 -7.899 -4.785 -6.132 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.804 -6.125 -5.417 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.047 -4.984 -7.636 1.00 0.00 C ATOM 0 H VAL A 41 -10.259 -5.601 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.896 -3.768 -4.513 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.975 -4.235 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.971 -6.697 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.642 -5.958 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.731 -6.681 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.209 -5.572 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.979 -5.509 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.059 -4.013 -8.132 1.00 0.00 H new ATOM 618 N ALA A 42 -9.892 -2.609 -7.413 1.00 0.00 N ATOM 619 CA ALA A 42 -10.045 -1.401 -8.214 1.00 0.00 C ATOM 620 C ALA A 42 -10.775 -0.317 -7.433 1.00 0.00 C ATOM 621 O ALA A 42 -10.433 0.861 -7.524 1.00 0.00 O ATOM 622 CB ALA A 42 -10.779 -1.711 -9.509 1.00 0.00 C ATOM 0 H ALA A 42 -10.401 -3.418 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.050 -1.029 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.885 -0.798 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.213 -2.446 -10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.767 -2.112 -9.281 1.00 0.00 H new ATOM 628 N GLN A 43 -11.774 -0.720 -6.656 1.00 0.00 N ATOM 629 CA GLN A 43 -12.537 0.226 -5.854 1.00 0.00 C ATOM 630 C GLN A 43 -11.606 0.995 -4.927 1.00 0.00 C ATOM 631 O GLN A 43 -11.722 2.211 -4.780 1.00 0.00 O ATOM 632 CB GLN A 43 -13.604 -0.505 -5.036 1.00 0.00 C ATOM 633 CG GLN A 43 -14.702 0.408 -4.516 1.00 0.00 C ATOM 634 CD GLN A 43 -15.355 1.222 -5.616 1.00 0.00 C ATOM 635 OE1 GLN A 43 -15.580 2.423 -5.466 1.00 0.00 O ATOM 636 NE2 GLN A 43 -15.664 0.569 -6.731 1.00 0.00 N ATOM 0 H GLN A 43 -12.073 -1.691 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.032 0.929 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.052 -1.284 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.126 -1.002 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.461 -0.192 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.284 1.083 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.459 -0.427 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.106 1.064 -7.506 1.00 0.00 H new ATOM 645 N TYR A 44 -10.671 0.273 -4.317 1.00 0.00 N ATOM 646 CA TYR A 44 -9.702 0.874 -3.411 1.00 0.00 C ATOM 647 C TYR A 44 -8.628 1.628 -4.191 1.00 0.00 C ATOM 648 O TYR A 44 -8.289 2.767 -3.859 1.00 0.00 O ATOM 649 CB TYR A 44 -9.056 -0.204 -2.538 1.00 0.00 C ATOM 650 CG TYR A 44 -8.039 0.337 -1.561 1.00 0.00 C ATOM 651 CD1 TYR A 44 -8.333 1.431 -0.759 1.00 0.00 C ATOM 652 CD2 TYR A 44 -6.784 -0.248 -1.441 1.00 0.00 C ATOM 653 CE1 TYR A 44 -7.405 1.929 0.136 1.00 0.00 C ATOM 654 CE2 TYR A 44 -5.851 0.243 -0.548 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.166 1.332 0.238 1.00 0.00 C ATOM 656 OH TYR A 44 -5.239 1.824 1.126 1.00 0.00 O ATOM 0 H TYR A 44 -10.565 -0.735 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.226 1.583 -2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.836 -0.727 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.573 -0.940 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.303 1.901 -0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.534 -1.100 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.649 2.782 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.880 -0.223 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.697 2.321 1.836 1.00 0.00 H new ATOM 666 N ARG A 45 -8.094 0.987 -5.228 1.00 0.00 N ATOM 667 CA ARG A 45 -7.057 1.600 -6.051 1.00 0.00 C ATOM 668 C ARG A 45 -7.549 2.911 -6.661 1.00 0.00 C ATOM 669 O ARG A 45 -6.756 3.807 -6.953 1.00 0.00 O ATOM 670 CB ARG A 45 -6.588 0.629 -7.144 1.00 0.00 C ATOM 671 CG ARG A 45 -7.366 0.721 -8.448 1.00 0.00 C ATOM 672 CD ARG A 45 -6.664 1.618 -9.453 1.00 0.00 C ATOM 673 NE ARG A 45 -7.475 1.839 -10.648 1.00 0.00 N ATOM 674 CZ ARG A 45 -7.699 0.910 -11.575 1.00 0.00 C ATOM 675 NH1 ARG A 45 -7.173 -0.302 -11.451 1.00 0.00 N ATOM 676 NH2 ARG A 45 -8.452 1.194 -12.629 1.00 0.00 N ATOM 0 H ARG A 45 -8.362 0.046 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.205 1.827 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.534 0.816 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.662 -0.390 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.488 -0.276 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.366 1.107 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.436 2.577 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.713 1.168 -9.738 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.894 2.759 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.593 -0.526 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.348 -1.009 -12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.859 2.124 -12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.624 0.483 -13.340 1.00 0.00 H new ATOM 690 N ASN A 46 -8.861 3.017 -6.844 1.00 0.00 N ATOM 691 CA ASN A 46 -9.458 4.219 -7.412 1.00 0.00 C ATOM 692 C ASN A 46 -9.517 5.335 -6.373 1.00 0.00 C ATOM 693 O ASN A 46 -9.382 6.512 -6.704 1.00 0.00 O ATOM 694 CB ASN A 46 -10.863 3.918 -7.936 1.00 0.00 C ATOM 695 CG ASN A 46 -11.387 5.009 -8.850 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.629 5.622 -9.602 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.690 5.258 -8.789 1.00 0.00 N ATOM 0 H ASN A 46 -9.531 2.285 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.834 4.550 -8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.851 2.971 -8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.543 3.796 -7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.099 5.982 -9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.282 4.726 -8.151 1.00 0.00 H new ATOM 704 N ILE A 47 -9.717 4.956 -5.112 1.00 0.00 N ATOM 705 CA ILE A 47 -9.788 5.929 -4.026 1.00 0.00 C ATOM 706 C ILE A 47 -8.539 6.800 -3.992 1.00 0.00 C ATOM 707 O ILE A 47 -8.617 8.019 -4.149 1.00 0.00 O ATOM 708 CB ILE A 47 -9.956 5.246 -2.654 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.054 4.182 -2.722 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.272 6.284 -1.585 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.414 3.586 -1.378 1.00 0.00 C ATOM 0 H ILE A 47 -9.832 3.986 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.664 6.549 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.021 4.754 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.947 4.623 -3.164 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.731 3.382 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.388 5.789 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.457 7.006 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.197 6.801 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.199 2.841 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.534 3.114 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.769 4.374 -0.714 1.00 0.00 H new ATOM 723 N LEU A 48 -7.385 6.170 -3.796 1.00 0.00 N ATOM 724 CA LEU A 48 -6.123 6.897 -3.754 1.00 0.00 C ATOM 725 C LEU A 48 -5.815 7.507 -5.115 1.00 0.00 C ATOM 726 O LEU A 48 -5.409 8.665 -5.212 1.00 0.00 O ATOM 727 CB LEU A 48 -4.978 5.973 -3.330 1.00 0.00 C ATOM 728 CG LEU A 48 -5.290 5.017 -2.175 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.000 4.526 -1.539 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.171 5.690 -1.131 1.00 0.00 C ATOM 0 H LEU A 48 -7.298 5.162 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.219 7.696 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.673 5.383 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.124 6.589 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.835 4.163 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.234 3.847 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.403 4.002 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.436 5.377 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.377 4.989 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.658 6.565 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.109 5.999 -1.591 1.00 0.00 H new ATOM 742 N ASN A 49 -6.019 6.718 -6.165 1.00 0.00 N ATOM 743 CA ASN A 49 -5.771 7.176 -7.526 1.00 0.00 C ATOM 744 C ASN A 49 -6.588 8.430 -7.826 1.00 0.00 C ATOM 745 O ASN A 49 -6.129 9.333 -8.525 1.00 0.00 O ATOM 746 CB ASN A 49 -6.116 6.069 -8.524 1.00 0.00 C ATOM 747 CG ASN A 49 -5.785 6.455 -9.950 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.770 6.030 -10.501 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.643 7.265 -10.554 1.00 0.00 N ATOM 0 H ASN A 49 -6.356 5.757 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.713 7.422 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.571 5.163 -8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.178 5.835 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.475 7.561 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.472 7.592 -10.057 1.00 0.00 H new ATOM 756 N ALA A 50 -7.798 8.478 -7.280 1.00 0.00 N ATOM 757 CA ALA A 50 -8.684 9.620 -7.470 1.00 0.00 C ATOM 758 C ALA A 50 -8.163 10.838 -6.714 1.00 0.00 C ATOM 759 O ALA A 50 -8.409 11.979 -7.104 1.00 0.00 O ATOM 760 CB ALA A 50 -10.094 9.277 -7.016 1.00 0.00 C ATOM 0 H ALA A 50 -8.189 7.736 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.709 9.862 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.744 10.139 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.469 8.436 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.081 9.010 -5.959 1.00 0.00 H new ATOM 766 N SER A 51 -7.438 10.584 -5.629 1.00 0.00 N ATOM 767 CA SER A 51 -6.874 11.652 -4.813 1.00 0.00 C ATOM 768 C SER A 51 -5.821 12.426 -5.597 1.00 0.00 C ATOM 769 O SER A 51 -5.648 13.631 -5.413 1.00 0.00 O ATOM 770 CB SER A 51 -6.257 11.070 -3.536 1.00 0.00 C ATOM 771 OG SER A 51 -6.802 11.683 -2.380 1.00 0.00 O ATOM 0 H SER A 51 -7.227 9.644 -5.294 1.00 0.00 H new ATOM 0 HA SER A 51 -7.676 12.338 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.435 9.995 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.177 11.214 -3.552 1.00 0.00 H new ATOM 0 HG SER A 51 -6.393 11.293 -1.579 1.00 0.00 H new ATOM 777 N LEU A 52 -5.114 11.715 -6.465 1.00 0.00 N ATOM 778 CA LEU A 52 -4.064 12.313 -7.283 1.00 0.00 C ATOM 779 C LEU A 52 -4.614 13.433 -8.166 1.00 0.00 C ATOM 780 O LEU A 52 -4.107 14.554 -8.145 1.00 0.00 O ATOM 781 CB LEU A 52 -3.392 11.238 -8.144 1.00 0.00 C ATOM 782 CG LEU A 52 -3.256 9.865 -7.476 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.402 8.936 -8.319 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.670 10.005 -6.080 1.00 0.00 C ATOM 0 H LEU A 52 -5.249 10.716 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.323 12.751 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.963 11.122 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.399 11.588 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.252 9.430 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.320 7.968 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.864 8.805 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.408 9.366 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.581 9.020 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.684 10.466 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.324 10.630 -5.472 1.00 0.00 H new ATOM 796 N GLN A 53 -5.650 13.123 -8.945 1.00 0.00 N ATOM 797 CA GLN A 53 -6.262 14.114 -9.842 1.00 0.00 C ATOM 798 C GLN A 53 -6.498 15.439 -9.124 1.00 0.00 C ATOM 799 O GLN A 53 -6.294 16.511 -9.693 1.00 0.00 O ATOM 800 CB GLN A 53 -7.601 13.628 -10.439 1.00 0.00 C ATOM 801 CG GLN A 53 -8.074 12.251 -9.987 1.00 0.00 C ATOM 802 CD GLN A 53 -7.894 11.198 -11.063 1.00 0.00 C ATOM 803 OE1 GLN A 53 -8.233 11.418 -12.226 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.358 10.046 -10.681 1.00 0.00 N ATOM 0 H GLN A 53 -6.084 12.200 -8.976 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.552 14.255 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.373 14.356 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.510 13.621 -11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.521 11.954 -9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.126 12.305 -9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.091 9.906 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.213 9.301 -11.362 1.00 0.00 H new ATOM 813 N VAL A 54 -6.938 15.357 -7.875 1.00 0.00 N ATOM 814 CA VAL A 54 -7.215 16.551 -7.082 1.00 0.00 C ATOM 815 C VAL A 54 -6.012 16.956 -6.234 1.00 0.00 C ATOM 816 O VAL A 54 -6.156 17.656 -5.233 1.00 0.00 O ATOM 817 CB VAL A 54 -8.438 16.353 -6.163 1.00 0.00 C ATOM 818 CG1 VAL A 54 -9.727 16.549 -6.946 1.00 0.00 C ATOM 819 CG2 VAL A 54 -8.410 14.979 -5.511 1.00 0.00 C ATOM 0 H VAL A 54 -7.111 14.478 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.431 17.348 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.396 17.102 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.581 16.406 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.753 17.558 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.773 15.824 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.283 14.864 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.424 14.210 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.504 14.878 -4.914 1.00 0.00 H new ATOM 829 N ASP A 55 -4.824 16.520 -6.645 1.00 0.00 N ATOM 830 CA ASP A 55 -3.599 16.846 -5.925 1.00 0.00 C ATOM 831 C ASP A 55 -3.016 18.163 -6.425 1.00 0.00 C ATOM 832 O ASP A 55 -3.271 18.576 -7.557 1.00 0.00 O ATOM 833 CB ASP A 55 -2.572 15.724 -6.087 1.00 0.00 C ATOM 834 CG ASP A 55 -1.329 15.953 -5.252 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.431 16.634 -4.210 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.253 15.451 -5.638 1.00 0.00 O ATOM 0 H ASP A 55 -4.685 15.940 -7.473 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.842 16.952 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.027 14.775 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.291 15.641 -7.137 1.00 0.00 H new ATOM 841 N ARG A 56 -2.232 18.820 -5.576 1.00 0.00 N ATOM 842 CA ARG A 56 -1.616 20.091 -5.936 1.00 0.00 C ATOM 843 C ARG A 56 -0.506 19.890 -6.963 1.00 0.00 C ATOM 844 O ARG A 56 -0.648 20.266 -8.126 1.00 0.00 O ATOM 845 CB ARG A 56 -1.056 20.781 -4.690 1.00 0.00 C ATOM 846 CG ARG A 56 -2.119 21.459 -3.843 1.00 0.00 C ATOM 847 CD ARG A 56 -2.665 22.703 -4.524 1.00 0.00 C ATOM 848 NE ARG A 56 -3.799 23.272 -3.800 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.607 24.205 -4.300 1.00 0.00 C ATOM 850 NH1 ARG A 56 -4.408 24.676 -5.525 1.00 0.00 N ATOM 851 NH2 ARG A 56 -5.614 24.669 -3.572 1.00 0.00 N ATOM 0 H ARG A 56 -2.009 18.494 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.384 20.724 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.533 20.044 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.319 21.523 -4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.934 20.760 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.697 21.729 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.874 23.449 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.972 22.455 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.983 22.935 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.634 24.323 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.029 25.391 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.769 24.311 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.233 25.384 -3.955 1.00 0.00 H new ATOM 865 N ASP A 57 0.599 19.294 -6.526 1.00 0.00 N ATOM 866 CA ASP A 57 1.732 19.043 -7.409 1.00 0.00 C ATOM 867 C ASP A 57 1.365 18.034 -8.492 1.00 0.00 C ATOM 868 O ASP A 57 1.246 16.838 -8.227 1.00 0.00 O ATOM 869 CB ASP A 57 2.929 18.535 -6.605 1.00 0.00 C ATOM 870 CG ASP A 57 4.252 19.018 -7.169 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.570 18.663 -8.323 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.968 19.751 -6.455 1.00 0.00 O ATOM 0 H ASP A 57 0.734 18.976 -5.566 1.00 0.00 H new ATOM 0 HA ASP A 57 2.000 19.983 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.835 18.866 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.919 17.445 -6.593 1.00 0.00 H new ATOM 877 N ALA A 58 1.188 18.526 -9.715 1.00 0.00 N ATOM 878 CA ALA A 58 0.835 17.668 -10.840 1.00 0.00 C ATOM 879 C ALA A 58 1.975 16.715 -11.186 1.00 0.00 C ATOM 880 O ALA A 58 1.744 15.614 -11.686 1.00 0.00 O ATOM 881 CB ALA A 58 0.467 18.514 -12.050 1.00 0.00 C ATOM 0 H ALA A 58 1.283 19.514 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.028 17.068 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.205 17.862 -12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.384 19.149 -11.805 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.316 19.138 -12.330 1.00 0.00 H new ATOM 887 N ALA A 59 3.203 17.144 -10.919 1.00 0.00 N ATOM 888 CA ALA A 59 4.377 16.328 -11.205 1.00 0.00 C ATOM 889 C ALA A 59 4.386 15.062 -10.353 1.00 0.00 C ATOM 890 O ALA A 59 4.611 13.962 -10.860 1.00 0.00 O ATOM 891 CB ALA A 59 5.648 17.130 -10.974 1.00 0.00 C ATOM 0 H ALA A 59 3.412 18.052 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 59 4.335 16.030 -12.253 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.516 16.507 -11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.653 18.001 -11.629 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.688 17.457 -9.935 1.00 0.00 H new ATOM 897 N ARG A 60 4.144 15.224 -9.057 1.00 0.00 N ATOM 898 CA ARG A 60 4.127 14.093 -8.135 1.00 0.00 C ATOM 899 C ARG A 60 2.967 13.153 -8.448 1.00 0.00 C ATOM 900 O ARG A 60 3.091 11.935 -8.322 1.00 0.00 O ATOM 901 CB ARG A 60 4.027 14.587 -6.690 1.00 0.00 C ATOM 902 CG ARG A 60 5.354 14.571 -5.948 1.00 0.00 C ATOM 903 CD ARG A 60 6.304 15.629 -6.486 1.00 0.00 C ATOM 904 NE ARG A 60 7.659 15.462 -5.966 1.00 0.00 N ATOM 905 CZ ARG A 60 8.730 16.061 -6.480 1.00 0.00 C ATOM 906 NH1 ARG A 60 8.608 16.866 -7.529 1.00 0.00 N ATOM 907 NH2 ARG A 60 9.925 15.855 -5.946 1.00 0.00 N ATOM 0 H ARG A 60 3.957 16.127 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 60 5.059 13.542 -8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.632 15.603 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.311 13.966 -6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.180 14.742 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.813 13.587 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.324 15.578 -7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.933 16.619 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 60 7.792 14.850 -5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.690 17.027 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.432 17.323 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.024 15.237 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.746 16.314 -6.340 1.00 0.00 H new ATOM 921 N SER A 61 1.837 13.727 -8.854 1.00 0.00 N ATOM 922 CA SER A 61 0.654 12.940 -9.185 1.00 0.00 C ATOM 923 C SER A 61 0.970 11.904 -10.260 1.00 0.00 C ATOM 924 O SER A 61 0.616 10.733 -10.129 1.00 0.00 O ATOM 925 CB SER A 61 -0.477 13.855 -9.657 1.00 0.00 C ATOM 926 OG SER A 61 -0.337 14.176 -11.031 1.00 0.00 O ATOM 0 H SER A 61 1.717 14.734 -8.961 1.00 0.00 H new ATOM 0 HA SER A 61 0.335 12.415 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.437 13.366 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.479 14.770 -9.065 1.00 0.00 H new ATOM 0 HG SER A 61 0.329 14.887 -11.135 1.00 0.00 H new ATOM 932 N ARG A 62 1.640 12.345 -11.321 1.00 0.00 N ATOM 933 CA ARG A 62 2.005 11.456 -12.420 1.00 0.00 C ATOM 934 C ARG A 62 2.787 10.249 -11.909 1.00 0.00 C ATOM 935 O ARG A 62 2.603 9.130 -12.386 1.00 0.00 O ATOM 936 CB ARG A 62 2.833 12.215 -13.460 1.00 0.00 C ATOM 937 CG ARG A 62 2.019 12.700 -14.649 1.00 0.00 C ATOM 938 CD ARG A 62 2.145 11.756 -15.834 1.00 0.00 C ATOM 939 NE ARG A 62 3.522 11.656 -16.311 1.00 0.00 N ATOM 940 CZ ARG A 62 3.884 10.970 -17.393 1.00 0.00 C ATOM 941 NH1 ARG A 62 2.975 10.321 -18.112 1.00 0.00 N ATOM 942 NH2 ARG A 62 5.159 10.931 -17.757 1.00 0.00 N ATOM 0 H ARG A 62 1.941 13.312 -11.443 1.00 0.00 H new ATOM 0 HA ARG A 62 1.087 11.097 -12.886 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.306 13.072 -12.981 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.633 11.568 -13.818 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.971 12.787 -14.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.354 13.696 -14.939 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.788 10.767 -15.549 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.505 12.105 -16.645 1.00 0.00 H new ATOM 0 HE ARG A 62 4.249 12.140 -15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.993 10.346 -17.836 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.259 9.797 -18.940 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.861 11.426 -17.208 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.437 10.406 -18.586 1.00 0.00 H new ATOM 956 N ARG A 63 3.661 10.486 -10.936 1.00 0.00 N ATOM 957 CA ARG A 63 4.471 9.419 -10.361 1.00 0.00 C ATOM 958 C ARG A 63 3.590 8.362 -9.702 1.00 0.00 C ATOM 959 O ARG A 63 3.783 7.164 -9.907 1.00 0.00 O ATOM 960 CB ARG A 63 5.453 9.991 -9.337 1.00 0.00 C ATOM 961 CG ARG A 63 6.684 10.626 -9.962 1.00 0.00 C ATOM 962 CD ARG A 63 7.890 10.526 -9.042 1.00 0.00 C ATOM 963 NE ARG A 63 8.742 11.711 -9.124 1.00 0.00 N ATOM 964 CZ ARG A 63 9.728 11.976 -8.270 1.00 0.00 C ATOM 965 NH1 ARG A 63 9.991 11.143 -7.270 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.454 13.075 -8.417 1.00 0.00 N ATOM 0 H ARG A 63 3.826 11.407 -10.530 1.00 0.00 H new ATOM 0 HA ARG A 63 5.032 8.947 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.939 10.736 -8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.768 9.194 -8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.906 10.136 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.481 11.673 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.552 10.393 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.472 9.642 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 63 8.571 12.374 -9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.436 10.295 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.748 11.351 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.257 13.717 -9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.210 13.278 -7.763 1.00 0.00 H new ATOM 980 N LEU A 64 2.624 8.814 -8.909 1.00 0.00 N ATOM 981 CA LEU A 64 1.712 7.904 -8.222 1.00 0.00 C ATOM 982 C LEU A 64 0.766 7.236 -9.214 1.00 0.00 C ATOM 983 O LEU A 64 0.448 6.054 -9.085 1.00 0.00 O ATOM 984 CB LEU A 64 0.902 8.646 -7.150 1.00 0.00 C ATOM 985 CG LEU A 64 1.560 9.902 -6.569 1.00 0.00 C ATOM 986 CD1 LEU A 64 0.781 10.401 -5.361 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.011 9.625 -6.195 1.00 0.00 C ATOM 0 H LEU A 64 2.452 9.803 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 64 2.314 7.136 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.060 8.927 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.697 7.955 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 64 1.547 10.680 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.262 11.293 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.239 10.642 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.761 9.626 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.460 10.529 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.049 8.830 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.563 9.317 -7.083 1.00 0.00 H new ATOM 999 N MET A 65 0.319 8.002 -10.205 1.00 0.00 N ATOM 1000 CA MET A 65 -0.593 7.486 -11.221 1.00 0.00 C ATOM 1001 C MET A 65 0.013 6.282 -11.935 1.00 0.00 C ATOM 1002 O MET A 65 -0.684 5.316 -12.243 1.00 0.00 O ATOM 1003 CB MET A 65 -0.931 8.581 -12.235 1.00 0.00 C ATOM 1004 CG MET A 65 -1.703 9.746 -11.634 1.00 0.00 C ATOM 1005 SD MET A 65 -3.180 10.172 -12.575 1.00 0.00 S ATOM 1006 CE MET A 65 -4.430 10.099 -11.293 1.00 0.00 C ATOM 0 H MET A 65 0.574 8.982 -10.326 1.00 0.00 H new ATOM 0 HA MET A 65 -1.509 7.166 -10.724 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.007 8.956 -12.675 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.516 8.147 -13.045 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.989 9.497 -10.612 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.050 10.617 -11.579 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.097 9.258 -11.482 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.949 9.970 -10.323 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.005 11.025 -11.292 1.00 0.00 H new ATOM 1016 N ALA A 66 1.316 6.344 -12.189 1.00 0.00 N ATOM 1017 CA ALA A 66 2.016 5.257 -12.858 1.00 0.00 C ATOM 1018 C ALA A 66 2.345 4.143 -11.874 1.00 0.00 C ATOM 1019 O ALA A 66 2.361 2.965 -12.233 1.00 0.00 O ATOM 1020 CB ALA A 66 3.282 5.772 -13.524 1.00 0.00 C ATOM 0 H ALA A 66 1.908 7.137 -11.941 1.00 0.00 H new ATOM 0 HA ALA A 66 1.361 4.849 -13.628 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.794 4.947 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.022 6.533 -14.260 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.939 6.206 -12.770 1.00 0.00 H new ATOM 1026 N LYS A 67 2.605 4.525 -10.628 1.00 0.00 N ATOM 1027 CA LYS A 67 2.931 3.561 -9.587 1.00 0.00 C ATOM 1028 C LYS A 67 1.691 2.774 -9.178 1.00 0.00 C ATOM 1029 O LYS A 67 1.769 1.583 -8.877 1.00 0.00 O ATOM 1030 CB LYS A 67 3.524 4.272 -8.369 1.00 0.00 C ATOM 1031 CG LYS A 67 5.039 4.392 -8.412 1.00 0.00 C ATOM 1032 CD LYS A 67 5.512 5.719 -7.836 1.00 0.00 C ATOM 1033 CE LYS A 67 6.543 5.516 -6.737 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.521 6.637 -6.680 1.00 0.00 N ATOM 0 H LYS A 67 2.596 5.496 -10.316 1.00 0.00 H new ATOM 0 HA LYS A 67 3.670 2.866 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.091 5.269 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.236 3.731 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.486 3.571 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.383 4.298 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.942 6.329 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.659 6.269 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.037 5.427 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.074 4.579 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.207 6.461 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.023 6.707 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.018 7.528 -6.494 1.00 0.00 H new ATOM 1048 N LEU A 68 0.547 3.450 -9.174 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.715 2.819 -8.808 1.00 0.00 C ATOM 1050 C LEU A 68 -1.241 1.947 -9.946 1.00 0.00 C ATOM 1051 O LEU A 68 -2.036 1.035 -9.724 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.752 3.883 -8.444 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.889 3.397 -7.543 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.279 4.478 -6.546 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.090 2.982 -8.379 1.00 0.00 C ATOM 0 H LEU A 68 0.468 4.437 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.536 2.182 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.243 4.710 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.182 4.279 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.540 2.527 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.089 4.115 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.419 4.728 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.609 5.367 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.889 2.639 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.440 3.834 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.803 2.175 -9.053 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.789 2.232 -11.165 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.213 1.473 -12.335 1.00 0.00 C ATOM 1069 C ALA A 69 -0.949 -0.019 -12.152 1.00 0.00 C ATOM 1070 O ALA A 69 -1.641 -0.857 -12.730 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.505 1.986 -13.580 1.00 0.00 C ATOM 0 H ALA A 69 -0.129 2.983 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.287 1.611 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.830 1.411 -14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.749 3.038 -13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.573 1.878 -13.456 1.00 0.00 H new ATOM 1077 N ASP A 70 0.055 -0.343 -11.343 1.00 0.00 N ATOM 1078 CA ASP A 70 0.410 -1.734 -11.083 1.00 0.00 C ATOM 1079 C ASP A 70 0.019 -2.148 -9.665 1.00 0.00 C ATOM 1080 O ASP A 70 0.500 -3.159 -9.152 1.00 0.00 O ATOM 1081 CB ASP A 70 1.910 -1.945 -11.293 1.00 0.00 C ATOM 1082 CG ASP A 70 2.217 -3.252 -11.997 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.702 -3.459 -13.116 1.00 0.00 O ATOM 1084 OD2 ASP A 70 2.973 -4.069 -11.429 1.00 0.00 O ATOM 0 H ASP A 70 0.637 0.339 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.142 -2.358 -11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.312 -1.118 -11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.415 -1.928 -10.327 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.853 -1.365 -9.034 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.300 -1.660 -7.678 1.00 0.00 C ATOM 1091 C PHE A 71 -2.001 -3.012 -7.618 1.00 0.00 C ATOM 1092 O PHE A 71 -2.702 -3.402 -8.551 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.242 -0.563 -7.178 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.274 -0.437 -5.682 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.267 0.235 -5.007 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.314 -0.988 -4.950 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -1.295 0.353 -3.630 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -3.347 -0.873 -3.573 1.00 0.00 C ATOM 1099 CZ PHE A 71 -2.337 -0.202 -2.913 1.00 0.00 C ATOM 0 H PHE A 71 -1.262 -0.524 -9.440 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.421 -1.697 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.937 0.391 -7.609 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.250 -0.768 -7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.451 0.672 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.107 -1.513 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.504 0.878 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.162 -1.308 -3.014 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.362 -0.111 -1.837 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.809 -3.724 -6.511 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.425 -5.033 -6.327 1.00 0.00 C ATOM 1111 C ALA A 72 -1.959 -6.015 -7.396 1.00 0.00 C ATOM 1112 O ALA A 72 -2.714 -6.890 -7.820 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.941 -4.910 -6.346 1.00 0.00 C ATOM 0 H ALA A 72 -1.232 -3.416 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.115 -5.419 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.388 -5.895 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.263 -4.249 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.261 -4.498 -7.303 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.710 -5.866 -7.827 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.144 -6.741 -8.846 1.00 0.00 C ATOM 1121 C VAL A 73 0.577 -7.927 -8.213 1.00 0.00 C ATOM 1122 O VAL A 73 1.099 -7.827 -7.102 1.00 0.00 O ATOM 1123 CB VAL A 73 0.837 -5.981 -9.761 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.023 -5.457 -8.964 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.304 -6.872 -10.903 1.00 0.00 C ATOM 0 H VAL A 73 -0.071 -5.147 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.977 -7.106 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 73 0.313 -5.126 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.702 -4.924 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.669 -4.778 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.549 -6.293 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.996 -6.318 -11.538 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.808 -7.749 -10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.444 -7.188 -11.493 1.00 0.00 H new ATOM 1135 N GLU A 74 0.602 -9.049 -8.926 1.00 0.00 N ATOM 1136 CA GLU A 74 1.262 -10.252 -8.431 1.00 0.00 C ATOM 1137 C GLU A 74 2.775 -10.067 -8.400 1.00 0.00 C ATOM 1138 O GLU A 74 3.467 -10.362 -9.375 1.00 0.00 O ATOM 1139 CB GLU A 74 0.900 -11.454 -9.308 1.00 0.00 C ATOM 1140 CG GLU A 74 1.161 -11.228 -10.789 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.110 -10.958 -11.570 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -1.174 -11.478 -11.173 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.042 -10.227 -12.581 1.00 0.00 O ATOM 0 H GLU A 74 0.174 -9.150 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 74 0.916 -10.436 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.471 -12.321 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.154 -11.693 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.843 -10.386 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.659 -12.104 -11.204 1.00 0.00 H new ATOM 1150 N GLN A 75 3.283 -9.577 -7.274 1.00 0.00 N ATOM 1151 CA GLN A 75 4.715 -9.350 -7.115 1.00 0.00 C ATOM 1152 C GLN A 75 5.274 -10.194 -5.972 1.00 0.00 C ATOM 1153 O GLN A 75 4.630 -10.358 -4.936 1.00 0.00 O ATOM 1154 CB GLN A 75 4.992 -7.867 -6.856 1.00 0.00 C ATOM 1155 CG GLN A 75 5.996 -7.258 -7.819 1.00 0.00 C ATOM 1156 CD GLN A 75 5.784 -5.771 -8.020 1.00 0.00 C ATOM 1157 OE1 GLN A 75 5.756 -5.283 -9.150 1.00 0.00 O ATOM 1158 NE2 GLN A 75 5.632 -5.042 -6.921 1.00 0.00 N ATOM 0 H GLN A 75 2.724 -9.329 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 75 5.211 -9.647 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.055 -7.314 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.360 -7.747 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.005 -7.430 -7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.924 -7.765 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.662 -5.489 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.485 -4.035 -6.993 1.00 0.00 H new ATOM 1167 N GLU A 76 6.476 -10.725 -6.169 1.00 0.00 N ATOM 1168 CA GLU A 76 7.121 -11.550 -5.155 1.00 0.00 C ATOM 1169 C GLU A 76 7.608 -10.697 -3.989 1.00 0.00 C ATOM 1170 O GLU A 76 8.502 -9.866 -4.147 1.00 0.00 O ATOM 1171 CB GLU A 76 8.296 -12.319 -5.762 1.00 0.00 C ATOM 1172 CG GLU A 76 8.556 -13.659 -5.093 1.00 0.00 C ATOM 1173 CD GLU A 76 7.745 -14.783 -5.707 1.00 0.00 C ATOM 1174 OE1 GLU A 76 6.512 -14.805 -5.506 1.00 0.00 O ATOM 1175 OE2 GLU A 76 8.342 -15.642 -6.390 1.00 0.00 O ATOM 0 H GLU A 76 7.023 -10.599 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 76 6.384 -12.261 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.103 -12.483 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.195 -11.707 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.617 -13.898 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.320 -13.583 -4.032 1.00 0.00 H new ATOM 1182 N VAL A 77 7.019 -10.912 -2.818 1.00 0.00 N ATOM 1183 CA VAL A 77 7.401 -10.164 -1.628 1.00 0.00 C ATOM 1184 C VAL A 77 8.649 -10.760 -0.997 1.00 0.00 C ATOM 1185 O VAL A 77 8.919 -11.953 -1.133 1.00 0.00 O ATOM 1186 CB VAL A 77 6.264 -10.134 -0.588 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.657 -9.295 0.619 1.00 0.00 C ATOM 1188 CG2 VAL A 77 4.981 -9.607 -1.214 1.00 0.00 C ATOM 0 H VAL A 77 6.277 -11.596 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 77 7.608 -9.141 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 77 6.086 -11.154 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.839 -9.288 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.546 -9.720 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.867 -8.274 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.190 -9.593 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.146 -8.596 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.687 -10.254 -2.040 1.00 0.00 H new ATOM 1198 N THR A 78 9.415 -9.918 -0.319 1.00 0.00 N ATOM 1199 CA THR A 78 10.646 -10.356 0.317 1.00 0.00 C ATOM 1200 C THR A 78 10.862 -9.649 1.647 1.00 0.00 C ATOM 1201 O THR A 78 10.290 -8.587 1.896 1.00 0.00 O ATOM 1202 CB THR A 78 11.829 -10.083 -0.609 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.394 -9.900 -1.945 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.845 -11.195 -0.608 1.00 0.00 C ATOM 0 H THR A 78 9.205 -8.928 -0.196 1.00 0.00 H new ATOM 0 HA THR A 78 10.567 -11.426 0.510 1.00 0.00 H new ATOM 0 HB THR A 78 12.297 -9.177 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.168 -9.725 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.661 -10.943 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.238 -11.328 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.372 -12.120 -0.939 1.00 0.00 H new ATOM 1212 N ALA A 79 11.702 -10.234 2.496 1.00 0.00 N ATOM 1213 CA ALA A 79 11.994 -9.637 3.789 1.00 0.00 C ATOM 1214 C ALA A 79 12.659 -8.283 3.602 1.00 0.00 C ATOM 1215 O ALA A 79 13.361 -8.056 2.616 1.00 0.00 O ATOM 1216 CB ALA A 79 12.868 -10.554 4.627 1.00 0.00 C ATOM 0 H ALA A 79 12.187 -11.112 2.312 1.00 0.00 H new ATOM 0 HA ALA A 79 11.054 -9.494 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.071 -10.084 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.353 -11.501 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.808 -10.737 4.106 1.00 0.00 H new ATOM 1222 N GLY A 80 12.413 -7.377 4.535 1.00 0.00 N ATOM 1223 CA GLY A 80 12.971 -6.044 4.434 1.00 0.00 C ATOM 1224 C GLY A 80 11.998 -5.097 3.764 1.00 0.00 C ATOM 1225 O GLY A 80 11.963 -3.906 4.073 1.00 0.00 O ATOM 0 H GLY A 80 11.837 -7.540 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.218 -5.673 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.901 -6.077 3.866 1.00 0.00 H new ATOM 1229 N ASP A 81 11.187 -5.643 2.858 1.00 0.00 N ATOM 1230 CA ASP A 81 10.184 -4.857 2.154 1.00 0.00 C ATOM 1231 C ASP A 81 8.997 -4.599 3.078 1.00 0.00 C ATOM 1232 O ASP A 81 9.133 -4.665 4.299 1.00 0.00 O ATOM 1233 CB ASP A 81 9.729 -5.591 0.889 1.00 0.00 C ATOM 1234 CG ASP A 81 10.894 -6.113 0.071 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.901 -5.385 -0.059 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.801 -7.250 -0.438 1.00 0.00 O ATOM 0 H ASP A 81 11.208 -6.629 2.597 1.00 0.00 H new ATOM 0 HA ASP A 81 10.618 -3.902 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.083 -6.423 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.132 -4.916 0.276 1.00 0.00 H new ATOM 1241 N ARG A 82 7.834 -4.307 2.505 1.00 0.00 N ATOM 1242 CA ARG A 82 6.647 -4.049 3.311 1.00 0.00 C ATOM 1243 C ARG A 82 5.374 -4.465 2.583 1.00 0.00 C ATOM 1244 O ARG A 82 5.380 -4.698 1.374 1.00 0.00 O ATOM 1245 CB ARG A 82 6.568 -2.566 3.683 1.00 0.00 C ATOM 1246 CG ARG A 82 7.116 -2.253 5.065 1.00 0.00 C ATOM 1247 CD ARG A 82 8.570 -1.813 5.003 1.00 0.00 C ATOM 1248 NE ARG A 82 9.241 -1.953 6.293 1.00 0.00 N ATOM 1249 CZ ARG A 82 10.391 -1.356 6.599 1.00 0.00 C ATOM 1250 NH1 ARG A 82 11.000 -0.580 5.712 1.00 0.00 N ATOM 1251 NH2 ARG A 82 10.934 -1.536 7.796 1.00 0.00 N ATOM 0 H ARG A 82 7.689 -4.244 1.497 1.00 0.00 H new ATOM 0 HA ARG A 82 6.731 -4.647 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.119 -1.985 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.528 -2.243 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.517 -1.468 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.029 -3.135 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.096 -2.406 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.620 -0.773 4.679 1.00 0.00 H new ATOM 0 HE ARG A 82 8.803 -2.543 7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.587 -0.438 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.881 -0.125 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.470 -2.132 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.815 -1.079 8.030 1.00 0.00 H new ATOM 1265 N VAL A 83 4.286 -4.549 3.338 1.00 0.00 N ATOM 1266 CA VAL A 83 2.992 -4.928 2.791 1.00 0.00 C ATOM 1267 C VAL A 83 1.897 -4.022 3.341 1.00 0.00 C ATOM 1268 O VAL A 83 1.794 -3.828 4.552 1.00 0.00 O ATOM 1269 CB VAL A 83 2.651 -6.392 3.122 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.340 -6.801 2.464 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.781 -7.314 2.691 1.00 0.00 C ATOM 0 H VAL A 83 4.276 -4.358 4.340 1.00 0.00 H new ATOM 0 HA VAL A 83 3.050 -4.819 1.708 1.00 0.00 H new ATOM 0 HB VAL A 83 2.531 -6.481 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.117 -7.839 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.536 -6.161 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.427 -6.696 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.522 -8.345 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.936 -7.222 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.696 -7.037 3.215 1.00 0.00 H new ATOM 1281 N VAL A 84 1.087 -3.462 2.451 1.00 0.00 N ATOM 1282 CA VAL A 84 0.012 -2.571 2.864 1.00 0.00 C ATOM 1283 C VAL A 84 -1.315 -3.314 2.987 1.00 0.00 C ATOM 1284 O VAL A 84 -1.851 -3.819 2.001 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.149 -1.393 1.883 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.648 -1.875 0.527 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.087 -0.345 2.460 1.00 0.00 C ATOM 0 H VAL A 84 1.154 -3.608 1.444 1.00 0.00 H new ATOM 0 HA VAL A 84 0.287 -2.180 3.844 1.00 0.00 H new ATOM 0 HB VAL A 84 0.830 -0.937 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.753 -1.024 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.066 -2.583 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.615 -2.363 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.189 0.480 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.065 -0.792 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.680 0.030 3.399 1.00 0.00 H new ATOM 1297 N VAL A 85 -1.843 -3.368 4.205 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.111 -4.039 4.457 1.00 0.00 C ATOM 1299 C VAL A 85 -4.273 -3.067 4.281 1.00 0.00 C ATOM 1300 O VAL A 85 -4.452 -2.147 5.079 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.164 -4.653 5.873 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.265 -5.698 5.960 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -1.820 -5.261 6.247 1.00 0.00 C ATOM 0 H VAL A 85 -1.412 -2.955 5.032 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.197 -4.848 3.731 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.387 -3.856 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.288 -6.120 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.226 -5.233 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.072 -6.491 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.880 -5.688 7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.564 -6.044 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.053 -4.487 6.228 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.054 -3.268 3.221 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.193 -2.400 2.928 1.00 0.00 C ATOM 1315 C ILE A 86 -7.095 -2.218 4.147 1.00 0.00 C ATOM 1316 O ILE A 86 -7.809 -1.222 4.254 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.035 -2.936 1.752 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -6.134 -3.309 0.570 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -8.063 -1.897 1.333 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -6.899 -3.690 -0.681 1.00 0.00 C ATOM 0 H ILE A 86 -4.919 -4.025 2.551 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.773 -1.433 2.650 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.558 -3.835 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.480 -2.467 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.493 -4.141 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.653 -2.284 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.721 -1.676 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.553 -0.985 1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.196 -3.941 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.533 -4.552 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.519 -2.852 -0.998 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.050 -3.174 5.068 1.00 0.00 N ATOM 1333 CA ASP A 87 -7.853 -3.100 6.280 1.00 0.00 C ATOM 1334 C ASP A 87 -7.018 -2.532 7.420 1.00 0.00 C ATOM 1335 O ASP A 87 -7.472 -1.674 8.174 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.384 -4.484 6.656 1.00 0.00 C ATOM 1337 CG ASP A 87 -9.586 -4.411 7.579 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.233 -3.345 7.628 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -9.877 -5.421 8.255 1.00 0.00 O ATOM 0 H ASP A 87 -6.467 -4.008 4.998 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.703 -2.442 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.658 -5.024 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.592 -5.055 7.140 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.785 -3.013 7.527 1.00 0.00 N ATOM 1345 CA GLY A 88 -4.883 -2.543 8.559 1.00 0.00 C ATOM 1346 C GLY A 88 -4.132 -3.677 9.227 1.00 0.00 C ATOM 1347 O GLY A 88 -4.171 -4.815 8.761 1.00 0.00 O ATOM 0 H GLY A 88 -5.393 -3.726 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.169 -1.844 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.449 -1.993 9.310 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.454 -3.370 10.327 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.698 -4.375 11.064 1.00 0.00 C ATOM 1353 C LEU A 89 -2.061 -3.762 12.309 1.00 0.00 C ATOM 1354 O LEU A 89 -1.673 -2.594 12.308 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.623 -5.000 10.166 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.864 -6.462 9.770 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -0.618 -7.054 9.130 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -2.281 -7.287 10.979 1.00 0.00 C ATOM 0 H LEU A 89 -3.413 -2.433 10.728 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.386 -5.159 11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.542 -4.404 9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.663 -4.934 10.678 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.674 -6.487 9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.808 -8.092 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.362 -6.484 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.210 -7.012 9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.447 -8.320 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.494 -7.252 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.202 -6.880 11.397 1.00 0.00 H new ATOM 1370 N ASP A 90 -1.960 -4.553 13.372 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.374 -4.078 14.620 1.00 0.00 C ATOM 1372 C ASP A 90 -0.686 -5.212 15.375 1.00 0.00 C ATOM 1373 O ASP A 90 -0.667 -5.226 16.606 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.451 -3.445 15.503 1.00 0.00 C ATOM 1375 CG ASP A 90 -2.638 -1.968 15.218 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -1.847 -1.157 15.744 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -3.575 -1.621 14.469 1.00 0.00 O ATOM 0 H ASP A 90 -2.275 -5.523 13.395 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.623 -3.327 14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.396 -3.965 15.347 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.183 -3.579 16.551 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.121 -6.157 14.632 1.00 0.00 N ATOM 1383 CA ARG A 91 0.570 -7.290 15.236 1.00 0.00 C ATOM 1384 C ARG A 91 1.160 -8.203 14.169 1.00 0.00 C ATOM 1385 O ARG A 91 0.694 -8.226 13.030 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.386 -8.085 16.128 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.591 -8.638 15.386 1.00 0.00 C ATOM 1388 CD ARG A 91 -1.393 -10.097 15.003 1.00 0.00 C ATOM 1389 NE ARG A 91 -2.213 -10.993 15.816 1.00 0.00 N ATOM 1390 CZ ARG A 91 -3.518 -11.175 15.633 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -4.157 -10.527 14.667 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -4.188 -12.008 16.418 1.00 0.00 N ATOM 0 H ARG A 91 -0.128 -6.161 13.612 1.00 0.00 H new ATOM 0 HA ARG A 91 1.385 -6.898 15.845 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.159 -8.911 16.585 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.732 -7.443 16.939 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.479 -8.543 16.011 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.769 -8.047 14.488 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.642 -10.233 13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.342 -10.363 15.118 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.758 -11.509 16.568 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.647 -9.885 14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.158 -10.671 14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.703 -12.509 17.162 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.189 -12.147 16.278 1.00 0.00 H new ATOM 1406 N MET A 92 2.188 -8.956 14.547 1.00 0.00 N ATOM 1407 CA MET A 92 2.845 -9.878 13.627 1.00 0.00 C ATOM 1408 C MET A 92 1.826 -10.805 12.971 1.00 0.00 C ATOM 1409 O MET A 92 1.042 -11.461 13.657 1.00 0.00 O ATOM 1410 CB MET A 92 3.899 -10.696 14.371 1.00 0.00 C ATOM 1411 CG MET A 92 5.192 -10.870 13.595 1.00 0.00 C ATOM 1412 SD MET A 92 6.360 -11.963 14.427 1.00 0.00 S ATOM 1413 CE MET A 92 7.844 -11.657 13.472 1.00 0.00 C ATOM 0 H MET A 92 2.585 -8.946 15.487 1.00 0.00 H new ATOM 0 HA MET A 92 3.332 -9.297 12.844 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.118 -10.211 15.322 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.488 -11.679 14.601 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.967 -11.270 12.606 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.656 -9.895 13.446 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.162 -12.580 12.987 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.639 -10.901 12.714 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.635 -11.303 14.133 1.00 0.00 H new ATOM 1423 N ALA A 93 1.830 -10.846 11.642 1.00 0.00 N ATOM 1424 CA ALA A 93 0.888 -11.688 10.912 1.00 0.00 C ATOM 1425 C ALA A 93 1.543 -12.401 9.734 1.00 0.00 C ATOM 1426 O ALA A 93 2.129 -11.767 8.859 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.289 -10.854 10.430 1.00 0.00 C ATOM 0 H ALA A 93 2.469 -10.311 11.053 1.00 0.00 H new ATOM 0 HA ALA A 93 0.536 -12.456 11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.987 -11.490 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.795 -10.409 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.071 -10.064 9.771 1.00 0.00 H new ATOM 1433 N HIS A 94 1.424 -13.724 9.715 1.00 0.00 N ATOM 1434 CA HIS A 94 1.994 -14.530 8.641 1.00 0.00 C ATOM 1435 C HIS A 94 1.453 -14.093 7.285 1.00 0.00 C ATOM 1436 O HIS A 94 0.293 -13.700 7.164 1.00 0.00 O ATOM 1437 CB HIS A 94 1.692 -16.013 8.871 1.00 0.00 C ATOM 1438 CG HIS A 94 2.101 -16.902 7.737 1.00 0.00 C ATOM 1439 ND1 HIS A 94 1.320 -17.098 6.618 1.00 0.00 N ATOM 1440 CD2 HIS A 94 3.211 -17.656 7.555 1.00 0.00 C ATOM 1441 CE1 HIS A 94 1.929 -17.933 5.798 1.00 0.00 C ATOM 1442 NE2 HIS A 94 3.079 -18.288 6.342 1.00 0.00 N ATOM 0 H HIS A 94 0.937 -14.262 10.432 1.00 0.00 H new ATOM 0 HA HIS A 94 3.074 -14.382 8.645 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.201 -16.340 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.623 -16.133 9.045 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.412 -16.665 6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.044 -17.744 8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.551 -18.269 4.844 1.00 0.00 H new ATOM 1451 N PHE A 95 2.305 -14.162 6.270 1.00 0.00 N ATOM 1452 CA PHE A 95 1.918 -13.773 4.920 1.00 0.00 C ATOM 1453 C PHE A 95 2.132 -14.918 3.931 1.00 0.00 C ATOM 1454 O PHE A 95 1.416 -15.024 2.935 1.00 0.00 O ATOM 1455 CB PHE A 95 2.714 -12.540 4.482 1.00 0.00 C ATOM 1456 CG PHE A 95 2.486 -12.149 3.048 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.240 -11.715 2.624 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.518 -12.217 2.126 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.028 -11.357 1.306 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.313 -11.860 0.808 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.066 -11.429 0.397 1.00 0.00 C ATOM 0 H PHE A 95 3.269 -14.484 6.356 1.00 0.00 H new ATOM 0 HA PHE A 95 0.855 -13.530 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.448 -11.700 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.776 -12.733 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.426 -11.656 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.494 -12.553 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.052 -11.021 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.126 -11.918 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.903 -11.149 -0.633 1.00 0.00 H new ATOM 1471 N LYS A 96 3.116 -15.774 4.206 1.00 0.00 N ATOM 1472 CA LYS A 96 3.409 -16.905 3.327 1.00 0.00 C ATOM 1473 C LYS A 96 4.585 -17.717 3.856 1.00 0.00 C ATOM 1474 O LYS A 96 5.490 -17.174 4.489 1.00 0.00 O ATOM 1475 CB LYS A 96 3.717 -16.417 1.909 1.00 0.00 C ATOM 1476 CG LYS A 96 4.943 -15.522 1.827 1.00 0.00 C ATOM 1477 CD LYS A 96 5.623 -15.631 0.473 1.00 0.00 C ATOM 1478 CE LYS A 96 6.804 -14.679 0.364 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.777 -15.118 -0.676 1.00 0.00 N ATOM 0 H LYS A 96 3.720 -15.707 5.025 1.00 0.00 H new ATOM 0 HA LYS A 96 2.526 -17.544 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.864 -17.281 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.854 -15.873 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.652 -14.487 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.648 -15.796 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.964 -16.655 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.903 -15.411 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.443 -13.679 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.308 -14.614 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.567 -14.443 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.141 -16.062 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.303 -15.156 -1.601 1.00 0.00 H new ATOM 1493 N ASP A 97 4.568 -19.022 3.587 1.00 0.00 N ATOM 1494 CA ASP A 97 5.633 -19.920 4.028 1.00 0.00 C ATOM 1495 C ASP A 97 5.986 -19.677 5.498 1.00 0.00 C ATOM 1496 O ASP A 97 5.401 -20.289 6.391 1.00 0.00 O ATOM 1497 CB ASP A 97 6.872 -19.748 3.144 1.00 0.00 C ATOM 1498 CG ASP A 97 6.946 -20.790 2.044 1.00 0.00 C ATOM 1499 OD1 ASP A 97 6.095 -20.751 1.131 1.00 0.00 O ATOM 1500 OD2 ASP A 97 7.854 -21.647 2.097 1.00 0.00 O ATOM 0 H ASP A 97 3.824 -19.482 3.063 1.00 0.00 H new ATOM 0 HA ASP A 97 5.274 -20.945 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.862 -18.753 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 97 7.768 -19.812 3.762 1.00 0.00 H new ATOM 1505 N ASP A 98 6.938 -18.779 5.746 1.00 0.00 N ATOM 1506 CA ASP A 98 7.347 -18.464 7.109 1.00 0.00 C ATOM 1507 C ASP A 98 7.616 -16.969 7.278 1.00 0.00 C ATOM 1508 O ASP A 98 8.174 -16.544 8.288 1.00 0.00 O ATOM 1509 CB ASP A 98 8.595 -19.264 7.489 1.00 0.00 C ATOM 1510 CG ASP A 98 8.447 -20.742 7.187 1.00 0.00 C ATOM 1511 OD1 ASP A 98 8.490 -21.111 5.993 1.00 0.00 O ATOM 1512 OD2 ASP A 98 8.288 -21.531 8.141 1.00 0.00 O ATOM 0 H ASP A 98 7.437 -18.260 5.023 1.00 0.00 H new ATOM 0 HA ASP A 98 6.528 -18.740 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.455 -18.870 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.799 -19.131 8.552 1.00 0.00 H new ATOM 1517 N LEU A 99 7.205 -16.174 6.294 1.00 0.00 N ATOM 1518 CA LEU A 99 7.395 -14.733 6.353 1.00 0.00 C ATOM 1519 C LEU A 99 6.139 -14.061 6.889 1.00 0.00 C ATOM 1520 O LEU A 99 5.049 -14.242 6.344 1.00 0.00 O ATOM 1521 CB LEU A 99 7.736 -14.180 4.969 1.00 0.00 C ATOM 1522 CG LEU A 99 9.152 -14.487 4.478 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.408 -13.816 3.139 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.180 -14.040 5.506 1.00 0.00 C ATOM 0 H LEU A 99 6.739 -16.505 5.449 1.00 0.00 H new ATOM 0 HA LEU A 99 8.226 -14.521 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.023 -14.582 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.600 -13.099 4.983 1.00 0.00 H new ATOM 0 HG LEU A 99 9.246 -15.565 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.420 -14.045 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.691 -14.184 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.297 -12.737 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.182 -14.266 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.087 -12.966 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.009 -14.567 6.445 1.00 0.00 H new ATOM 1536 N VAL A 100 6.289 -13.293 7.960 1.00 0.00 N ATOM 1537 CA VAL A 100 5.154 -12.609 8.561 1.00 0.00 C ATOM 1538 C VAL A 100 5.225 -11.107 8.342 1.00 0.00 C ATOM 1539 O VAL A 100 6.181 -10.591 7.764 1.00 0.00 O ATOM 1540 CB VAL A 100 5.050 -12.877 10.075 1.00 0.00 C ATOM 1541 CG1 VAL A 100 4.773 -14.346 10.350 1.00 0.00 C ATOM 1542 CG2 VAL A 100 6.308 -12.422 10.792 1.00 0.00 C ATOM 0 H VAL A 100 7.181 -13.129 8.428 1.00 0.00 H new ATOM 0 HA VAL A 100 4.270 -13.010 8.066 1.00 0.00 H new ATOM 0 HB VAL A 100 4.211 -12.298 10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.704 -14.508 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.833 -14.633 9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.583 -14.951 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.211 -12.621 11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.168 -12.964 10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.450 -11.353 10.634 1.00 0.00 H new ATOM 1552 N LEU A 101 4.197 -10.418 8.811 1.00 0.00 N ATOM 1553 CA LEU A 101 4.111 -8.975 8.680 1.00 0.00 C ATOM 1554 C LEU A 101 3.951 -8.326 10.048 1.00 0.00 C ATOM 1555 O LEU A 101 3.024 -8.645 10.791 1.00 0.00 O ATOM 1556 CB LEU A 101 2.924 -8.613 7.787 1.00 0.00 C ATOM 1557 CG LEU A 101 3.223 -8.599 6.288 1.00 0.00 C ATOM 1558 CD1 LEU A 101 1.933 -8.511 5.488 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.148 -7.443 5.944 1.00 0.00 C ATOM 0 H LEU A 101 3.403 -10.842 9.291 1.00 0.00 H new ATOM 0 HA LEU A 101 5.031 -8.605 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.118 -9.322 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.557 -7.629 8.078 1.00 0.00 H new ATOM 0 HG LEU A 101 3.724 -9.531 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.165 -8.502 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.305 -9.372 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.403 -7.596 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.352 -7.446 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.672 -6.502 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.084 -7.551 6.492 1.00 0.00 H new ATOM 1571 N VAL A 102 4.859 -7.415 10.377 1.00 0.00 N ATOM 1572 CA VAL A 102 4.815 -6.726 11.659 1.00 0.00 C ATOM 1573 C VAL A 102 4.323 -5.292 11.492 1.00 0.00 C ATOM 1574 O VAL A 102 4.734 -4.595 10.566 1.00 0.00 O ATOM 1575 CB VAL A 102 6.199 -6.701 12.334 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.089 -6.202 13.766 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.847 -8.078 12.288 1.00 0.00 C ATOM 0 H VAL A 102 5.633 -7.137 9.774 1.00 0.00 H new ATOM 0 HA VAL A 102 4.120 -7.280 12.291 1.00 0.00 H new ATOM 0 HB VAL A 102 6.835 -6.010 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.078 -6.192 14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.677 -5.193 13.769 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.433 -6.863 14.332 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.824 -8.037 12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.214 -8.796 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.968 -8.389 11.250 1.00 0.00 H new ATOM 1587 N PRO A 103 3.440 -4.823 12.391 1.00 0.00 N ATOM 1588 CA PRO A 103 2.902 -3.460 12.336 1.00 0.00 C ATOM 1589 C PRO A 103 4.004 -2.428 12.130 1.00 0.00 C ATOM 1590 O PRO A 103 4.961 -2.366 12.901 1.00 0.00 O ATOM 1591 CB PRO A 103 2.234 -3.273 13.709 1.00 0.00 C ATOM 1592 CG PRO A 103 2.615 -4.475 14.518 1.00 0.00 C ATOM 1593 CD PRO A 103 2.893 -5.569 13.530 1.00 0.00 C ATOM 0 HA PRO A 103 2.214 -3.323 11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.576 -2.355 14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.151 -3.196 13.609 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.493 -4.270 15.130 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.811 -4.758 15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.604 -6.298 13.919 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.989 -6.116 13.263 1.00 0.00 H new ATOM 1601 N LEU A 104 3.873 -1.629 11.073 1.00 0.00 N ATOM 1602 CA LEU A 104 4.874 -0.617 10.760 1.00 0.00 C ATOM 1603 C LEU A 104 4.262 0.781 10.672 1.00 0.00 C ATOM 1604 O LEU A 104 4.750 1.715 11.309 1.00 0.00 O ATOM 1605 CB LEU A 104 5.572 -0.967 9.445 1.00 0.00 C ATOM 1606 CG LEU A 104 6.963 -0.361 9.269 1.00 0.00 C ATOM 1607 CD1 LEU A 104 8.019 -1.250 9.908 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.267 -0.147 7.794 1.00 0.00 C ATOM 0 H LEU A 104 3.087 -1.664 10.423 1.00 0.00 H new ATOM 0 HA LEU A 104 5.602 -0.607 11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.653 -2.052 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.942 -0.638 8.618 1.00 0.00 H new ATOM 0 HG LEU A 104 6.982 0.607 9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.003 -0.801 9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.811 -1.354 10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.000 -2.233 9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.262 0.285 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.229 -1.103 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.529 0.530 7.365 1.00 0.00 H new ATOM 1620 N THR A 105 3.201 0.932 9.881 1.00 0.00 N ATOM 1621 CA THR A 105 2.557 2.235 9.730 1.00 0.00 C ATOM 1622 C THR A 105 1.076 2.107 9.399 1.00 0.00 C ATOM 1623 O THR A 105 0.701 1.477 8.414 1.00 0.00 O ATOM 1624 CB THR A 105 3.266 3.053 8.650 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.671 2.900 8.748 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.960 4.533 8.721 1.00 0.00 C ATOM 0 H THR A 105 2.774 0.179 9.341 1.00 0.00 H new ATOM 0 HA THR A 105 2.636 2.750 10.688 1.00 0.00 H new ATOM 0 HB THR A 105 2.891 2.667 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.107 3.429 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.495 5.054 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.888 4.689 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.276 4.924 9.688 1.00 0.00 H new ATOM 1634 N THR A 106 0.242 2.726 10.231 1.00 0.00 N ATOM 1635 CA THR A 106 -1.202 2.698 10.036 1.00 0.00 C ATOM 1636 C THR A 106 -1.749 4.108 9.835 1.00 0.00 C ATOM 1637 O THR A 106 -1.639 4.959 10.717 1.00 0.00 O ATOM 1638 CB THR A 106 -1.887 2.044 11.238 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.246 0.828 11.579 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.351 1.743 11.001 1.00 0.00 C ATOM 0 H THR A 106 0.545 3.255 11.049 1.00 0.00 H new ATOM 0 HA THR A 106 -1.412 2.112 9.141 1.00 0.00 H new ATOM 0 HB THR A 106 -1.810 2.771 12.047 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.697 0.426 12.350 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.776 1.280 11.892 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.883 2.670 10.784 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.450 1.062 10.156 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.337 4.347 8.668 1.00 0.00 N ATOM 1649 CA LYS A 107 -2.901 5.655 8.351 1.00 0.00 C ATOM 1650 C LYS A 107 -4.228 5.511 7.613 1.00 0.00 C ATOM 1651 O LYS A 107 -4.300 4.864 6.568 1.00 0.00 O ATOM 1652 CB LYS A 107 -1.919 6.468 7.506 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.149 7.969 7.581 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.102 8.734 6.786 1.00 0.00 C ATOM 1655 CE LYS A 107 0.032 9.213 7.677 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.739 10.391 7.098 1.00 0.00 N ATOM 0 H LYS A 107 -2.436 3.654 7.926 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.082 6.181 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.903 6.248 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.996 6.149 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.142 8.205 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.123 8.290 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.703 8.095 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.568 9.589 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.364 9.474 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.743 8.401 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.762 10.294 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.551 10.441 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.398 11.260 7.556 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.274 6.119 8.162 1.00 0.00 N ATOM 1671 CA VAL A 108 -6.597 6.058 7.554 1.00 0.00 C ATOM 1672 C VAL A 108 -6.730 7.076 6.426 1.00 0.00 C ATOM 1673 O VAL A 108 -6.851 8.276 6.670 1.00 0.00 O ATOM 1674 CB VAL A 108 -7.706 6.311 8.592 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.079 6.089 7.976 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.511 5.419 9.809 1.00 0.00 C ATOM 0 H VAL A 108 -5.231 6.659 9.026 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.713 5.053 7.149 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.643 7.350 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.848 6.273 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.217 6.773 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.157 5.061 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.304 5.611 10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.545 4.373 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.544 5.632 10.265 1.00 0.00 H new ATOM 1686 N VAL A 109 -6.707 6.587 5.191 1.00 0.00 N ATOM 1687 CA VAL A 109 -6.827 7.454 4.024 1.00 0.00 C ATOM 1688 C VAL A 109 -7.981 7.015 3.130 1.00 0.00 C ATOM 1689 O VAL A 109 -8.127 5.831 2.823 1.00 0.00 O ATOM 1690 CB VAL A 109 -5.526 7.464 3.196 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -4.457 8.292 3.892 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.037 6.045 2.951 1.00 0.00 C ATOM 0 H VAL A 109 -6.606 5.596 4.972 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.021 8.460 4.396 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.736 7.922 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -3.546 8.288 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.809 9.317 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.248 7.866 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.118 6.073 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.844 5.557 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.798 5.487 2.406 1.00 0.00 H new ATOM 1702 N GLY A 110 -8.800 7.975 2.717 1.00 0.00 N ATOM 1703 CA GLY A 110 -9.932 7.667 1.862 1.00 0.00 C ATOM 1704 C GLY A 110 -11.055 6.981 2.615 1.00 0.00 C ATOM 1705 O GLY A 110 -11.738 6.115 2.070 1.00 0.00 O ATOM 0 H GLY A 110 -8.701 8.961 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.307 8.588 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.602 7.027 1.044 1.00 0.00 H new ATOM 1709 N GLY A 111 -11.245 7.369 3.871 1.00 0.00 N ATOM 1710 CA GLY A 111 -12.293 6.773 4.680 1.00 0.00 C ATOM 1711 C GLY A 111 -12.069 5.294 4.921 1.00 0.00 C ATOM 1712 O GLY A 111 -13.023 4.537 5.106 1.00 0.00 O ATOM 0 H GLY A 111 -10.693 8.085 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.346 7.290 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.254 6.916 4.187 1.00 0.00 H new ATOM 1716 N SER A 112 -10.806 4.880 4.918 1.00 0.00 N ATOM 1717 CA SER A 112 -10.460 3.481 5.137 1.00 0.00 C ATOM 1718 C SER A 112 -9.116 3.358 5.847 1.00 0.00 C ATOM 1719 O SER A 112 -8.285 4.263 5.787 1.00 0.00 O ATOM 1720 CB SER A 112 -10.416 2.730 3.805 1.00 0.00 C ATOM 1721 OG SER A 112 -11.661 2.113 3.525 1.00 0.00 O ATOM 0 H SER A 112 -10.006 5.494 4.766 1.00 0.00 H new ATOM 0 HA SER A 112 -11.228 3.038 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.161 3.422 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.631 1.974 3.836 1.00 0.00 H new ATOM 0 HG SER A 112 -12.387 2.658 3.896 1.00 0.00 H new ATOM 1727 N ARG A 113 -8.911 2.229 6.517 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.668 1.982 7.241 1.00 0.00 C ATOM 1729 C ARG A 113 -6.580 1.482 6.297 1.00 0.00 C ATOM 1730 O ARG A 113 -6.851 0.719 5.372 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.900 0.961 8.354 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.479 1.565 9.624 1.00 0.00 C ATOM 1733 CD ARG A 113 -7.596 1.288 10.830 1.00 0.00 C ATOM 1734 NE ARG A 113 -8.306 1.504 12.090 1.00 0.00 N ATOM 1735 CZ ARG A 113 -7.699 1.694 13.259 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -6.374 1.689 13.336 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -8.420 1.887 14.355 1.00 0.00 N ATOM 0 H ARG A 113 -9.590 1.470 6.574 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.338 2.923 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.575 0.186 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.954 0.474 8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.593 2.641 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.474 1.157 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.237 0.260 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.719 1.934 10.793 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.326 1.509 12.072 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.815 1.539 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.915 1.835 14.235 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.439 1.890 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.956 2.033 15.252 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.348 1.919 6.534 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.223 1.513 5.700 1.00 0.00 C ATOM 1753 C CYS A 114 -2.975 1.264 6.543 1.00 0.00 C ATOM 1754 O CYS A 114 -2.238 2.196 6.865 1.00 0.00 O ATOM 1755 CB CYS A 114 -3.935 2.584 4.647 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.144 1.952 3.149 1.00 0.00 S ATOM 0 H CYS A 114 -5.103 2.553 7.295 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.491 0.581 5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.871 3.070 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.296 3.349 5.088 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.939 2.122 2.134 1.00 0.00 H new ATOM 1762 N THR A 115 -2.740 0.003 6.895 1.00 0.00 N ATOM 1763 CA THR A 115 -1.574 -0.357 7.695 1.00 0.00 C ATOM 1764 C THR A 115 -0.490 -0.989 6.830 1.00 0.00 C ATOM 1765 O THR A 115 -0.778 -1.728 5.892 1.00 0.00 O ATOM 1766 CB THR A 115 -1.955 -1.329 8.811 1.00 0.00 C ATOM 1767 OG1 THR A 115 -2.953 -0.773 9.650 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.782 -1.718 9.685 1.00 0.00 C ATOM 0 H THR A 115 -3.338 -0.783 6.640 1.00 0.00 H new ATOM 0 HA THR A 115 -1.189 0.562 8.136 1.00 0.00 H new ATOM 0 HB THR A 115 -2.325 -2.220 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.614 -0.716 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.118 -2.409 10.458 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.018 -2.199 9.075 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.365 -0.826 10.152 1.00 0.00 H new ATOM 1776 N ILE A 116 0.757 -0.706 7.174 1.00 0.00 N ATOM 1777 CA ILE A 116 1.897 -1.257 6.459 1.00 0.00 C ATOM 1778 C ILE A 116 2.762 -2.047 7.438 1.00 0.00 C ATOM 1779 O ILE A 116 2.958 -1.622 8.576 1.00 0.00 O ATOM 1780 CB ILE A 116 2.710 -0.138 5.753 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.765 -0.391 4.248 1.00 0.00 C ATOM 1782 CG2 ILE A 116 4.120 -0.006 6.315 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.442 0.724 3.483 1.00 0.00 C ATOM 0 H ILE A 116 1.006 -0.093 7.950 1.00 0.00 H new ATOM 0 HA ILE A 116 1.544 -1.928 5.676 1.00 0.00 H new ATOM 0 HB ILE A 116 2.194 0.803 5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.295 -1.325 4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.751 -0.519 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.648 0.789 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 116 4.067 0.234 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.654 -0.947 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.449 0.484 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.899 1.656 3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.467 0.837 3.836 1.00 0.00 H new ATOM 1795 N CYS A 117 3.245 -3.211 7.016 1.00 0.00 N ATOM 1796 CA CYS A 117 4.042 -4.048 7.904 1.00 0.00 C ATOM 1797 C CYS A 117 5.303 -4.579 7.235 1.00 0.00 C ATOM 1798 O CYS A 117 5.290 -4.959 6.064 1.00 0.00 O ATOM 1799 CB CYS A 117 3.196 -5.223 8.392 1.00 0.00 C ATOM 1800 SG CYS A 117 1.750 -4.743 9.363 1.00 0.00 S ATOM 0 H CYS A 117 3.102 -3.591 6.080 1.00 0.00 H new ATOM 0 HA CYS A 117 4.355 -3.424 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.865 -5.800 7.529 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.822 -5.881 8.995 1.00 0.00 H new ATOM 0 HG CYS A 117 1.720 -5.431 10.466 1.00 0.00 H new ATOM 1806 N ASP A 118 6.386 -4.627 8.006 1.00 0.00 N ATOM 1807 CA ASP A 118 7.657 -5.141 7.514 1.00 0.00 C ATOM 1808 C ASP A 118 7.578 -6.655 7.366 1.00 0.00 C ATOM 1809 O ASP A 118 6.994 -7.338 8.208 1.00 0.00 O ATOM 1810 CB ASP A 118 8.791 -4.765 8.469 1.00 0.00 C ATOM 1811 CG ASP A 118 10.146 -5.222 7.965 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.479 -4.921 6.799 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.876 -5.880 8.736 1.00 0.00 O ATOM 0 H ASP A 118 6.407 -4.315 8.977 1.00 0.00 H new ATOM 0 HA ASP A 118 7.863 -4.696 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.803 -3.684 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.601 -5.208 9.446 1.00 0.00 H new ATOM 1818 N VAL A 119 8.161 -7.178 6.296 1.00 0.00 N ATOM 1819 CA VAL A 119 8.141 -8.612 6.052 1.00 0.00 C ATOM 1820 C VAL A 119 9.333 -9.280 6.722 1.00 0.00 C ATOM 1821 O VAL A 119 10.482 -9.038 6.353 1.00 0.00 O ATOM 1822 CB VAL A 119 8.153 -8.930 4.544 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.575 -10.313 4.290 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.382 -7.873 3.763 1.00 0.00 C ATOM 0 H VAL A 119 8.651 -6.633 5.587 1.00 0.00 H new ATOM 0 HA VAL A 119 7.217 -9.003 6.477 1.00 0.00 H new ATOM 0 HB VAL A 119 9.187 -8.919 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.590 -10.523 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.172 -11.059 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.548 -10.350 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.404 -8.117 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.349 -7.847 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.842 -6.897 3.920 1.00 0.00 H new ATOM 1834 N VAL A 120 9.056 -10.109 7.722 1.00 0.00 N ATOM 1835 CA VAL A 120 10.115 -10.793 8.449 1.00 0.00 C ATOM 1836 C VAL A 120 9.803 -12.275 8.622 1.00 0.00 C ATOM 1837 O VAL A 120 8.647 -12.658 8.799 1.00 0.00 O ATOM 1838 CB VAL A 120 10.343 -10.154 9.834 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.338 -9.009 9.733 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.027 -9.672 10.428 1.00 0.00 C ATOM 0 H VAL A 120 8.112 -10.322 8.045 1.00 0.00 H new ATOM 0 HA VAL A 120 11.024 -10.691 7.856 1.00 0.00 H new ATOM 0 HB VAL A 120 10.757 -10.912 10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.488 -8.569 10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.289 -9.385 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.952 -8.251 9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.211 -9.225 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.580 -8.929 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.346 -10.516 10.538 1.00 0.00 H new ATOM 1850 N LYS A 121 10.839 -13.104 8.562 1.00 0.00 N ATOM 1851 CA LYS A 121 10.675 -14.545 8.707 1.00 0.00 C ATOM 1852 C LYS A 121 10.409 -14.922 10.160 1.00 0.00 C ATOM 1853 O LYS A 121 10.903 -14.274 11.082 1.00 0.00 O ATOM 1854 CB LYS A 121 11.919 -15.276 8.197 1.00 0.00 C ATOM 1855 CG LYS A 121 11.692 -16.758 7.945 1.00 0.00 C ATOM 1856 CD LYS A 121 12.533 -17.259 6.782 1.00 0.00 C ATOM 1857 CE LYS A 121 11.776 -17.170 5.467 1.00 0.00 C ATOM 1858 NZ LYS A 121 12.078 -18.322 4.574 1.00 0.00 N ATOM 0 H LYS A 121 11.802 -12.802 8.414 1.00 0.00 H new ATOM 0 HA LYS A 121 9.814 -14.847 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.253 -14.806 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.723 -15.158 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.938 -17.323 8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.637 -16.935 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.450 -16.673 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.828 -18.292 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.705 -17.136 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.036 -16.240 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.542 -18.224 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.096 -18.340 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.807 -19.208 5.046 1.00 0.00 H new ATOM 1872 N GLU A 122 9.623 -15.976 10.354 1.00 0.00 N ATOM 1873 CA GLU A 122 9.285 -16.445 11.692 1.00 0.00 C ATOM 1874 C GLU A 122 10.483 -17.124 12.349 1.00 0.00 C ATOM 1875 O GLU A 122 10.981 -18.136 11.859 1.00 0.00 O ATOM 1876 CB GLU A 122 8.103 -17.414 11.628 1.00 0.00 C ATOM 1877 CG GLU A 122 6.749 -16.727 11.680 1.00 0.00 C ATOM 1878 CD GLU A 122 5.708 -17.547 12.416 1.00 0.00 C ATOM 1879 OE1 GLU A 122 5.778 -18.793 12.351 1.00 0.00 O ATOM 1880 OE2 GLU A 122 4.822 -16.944 13.058 1.00 0.00 O ATOM 0 H GLU A 122 9.208 -16.522 9.599 1.00 0.00 H new ATOM 0 HA GLU A 122 9.006 -15.582 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.171 -17.996 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.176 -18.118 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 122 6.855 -15.759 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.404 -16.535 10.664 1.00 0.00 H new