USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 479 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 31 THR OG1 : rot -170:sc= -0.0405 USER MOD Set 1.2: A 37 GLN : amide:sc= -4.31! C(o=-4.4!,f=-10!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0733 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 22 ASN : amide:sc= -5.23! C(o=-5.2!,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.117 (180deg=-1.08) USER MOD Single : A 25 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.3) USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00305 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.7!) USER MOD Single : A 45 ASN : amide:sc= -4.82! C(o=-4.8!,f=-21!) USER MOD Single : A 46 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 48 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.076) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.000438 X(o=-0.00044,f=-0.17) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.415 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.453 -7.973 -4.478 1.00 0.00 N ATOM 152 CA PRO A 10 -6.090 -8.449 -4.784 1.00 0.00 C ATOM 153 C PRO A 10 -5.169 -8.402 -3.570 1.00 0.00 C ATOM 154 O PRO A 10 -4.663 -9.430 -3.118 1.00 0.00 O ATOM 155 CB PRO A 10 -5.630 -7.475 -5.860 1.00 0.00 C ATOM 156 CG PRO A 10 -6.449 -6.203 -5.692 1.00 0.00 C ATOM 157 CD PRO A 10 -7.670 -6.551 -4.837 1.00 0.00 C ATOM 0 HA PRO A 10 -6.072 -9.493 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.565 -7.264 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.778 -7.900 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.855 -5.425 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.759 -5.815 -6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.732 -5.919 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.599 -6.415 -5.391 1.00 0.00 H new ATOM 165 N CYS A 11 -4.964 -7.201 -3.041 1.00 0.00 N ATOM 166 CA CYS A 11 -4.110 -7.037 -1.869 1.00 0.00 C ATOM 167 C CYS A 11 -4.710 -7.775 -0.680 1.00 0.00 C ATOM 168 O CYS A 11 -5.928 -7.890 -0.547 1.00 0.00 O ATOM 169 CB CYS A 11 -3.954 -5.558 -1.503 1.00 0.00 C ATOM 170 SG CYS A 11 -2.639 -4.811 -2.503 1.00 0.00 S ATOM 0 H CYS A 11 -5.371 -6.337 -3.399 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.130 -7.449 -2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.894 -5.032 -1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.718 -5.459 -0.443 1.00 0.00 H new ATOM 175 N ARG A 12 -3.835 -8.274 0.179 1.00 0.00 N ATOM 176 CA ARG A 12 -4.270 -9.005 1.365 1.00 0.00 C ATOM 177 C ARG A 12 -3.354 -8.682 2.536 1.00 0.00 C ATOM 178 O ARG A 12 -3.806 -8.348 3.631 1.00 0.00 O ATOM 179 CB ARG A 12 -4.245 -10.513 1.110 1.00 0.00 C ATOM 180 CG ARG A 12 -5.375 -10.889 0.147 1.00 0.00 C ATOM 181 CD ARG A 12 -5.926 -12.266 0.516 1.00 0.00 C ATOM 182 NE ARG A 12 -6.601 -12.221 1.811 1.00 0.00 N ATOM 183 CZ ARG A 12 -7.120 -13.319 2.352 1.00 0.00 C ATOM 184 NH1 ARG A 12 -6.334 -14.267 2.786 1.00 0.00 N ATOM 185 NH2 ARG A 12 -8.415 -13.449 2.449 1.00 0.00 N ATOM 0 H ARG A 12 -2.823 -8.188 0.081 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.290 -8.701 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.283 -10.805 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.359 -11.053 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.169 -10.144 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.005 -10.897 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.623 -12.602 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.113 -12.992 0.549 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.675 -11.333 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.322 -14.165 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.732 -15.109 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.029 -12.708 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.813 -14.291 2.864 1.00 0.00 H new ATOM 199 N PHE A 13 -2.055 -8.771 2.281 1.00 0.00 N ATOM 200 CA PHE A 13 -1.064 -8.470 3.309 1.00 0.00 C ATOM 201 C PHE A 13 -0.455 -7.102 3.038 1.00 0.00 C ATOM 202 O PHE A 13 0.006 -6.821 1.931 1.00 0.00 O ATOM 203 CB PHE A 13 0.055 -9.514 3.326 1.00 0.00 C ATOM 204 CG PHE A 13 -0.536 -10.905 3.327 1.00 0.00 C ATOM 205 CD1 PHE A 13 -0.957 -11.489 2.126 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.662 -11.611 4.531 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.504 -12.778 2.128 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.210 -12.900 4.531 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.631 -13.483 3.330 1.00 0.00 C ATOM 0 H PHE A 13 -1.664 -9.047 1.380 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.566 -8.482 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.698 -9.384 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.680 -9.375 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.860 -10.945 1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.337 -11.162 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.828 -13.228 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.308 -13.445 5.458 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.054 -14.477 3.331 1.00 0.00 H new ATOM 219 N PHE A 14 -0.470 -6.250 4.052 1.00 0.00 N ATOM 220 CA PHE A 14 0.075 -4.905 3.902 1.00 0.00 C ATOM 221 C PHE A 14 1.339 -4.731 4.725 1.00 0.00 C ATOM 222 O PHE A 14 1.385 -5.076 5.906 1.00 0.00 O ATOM 223 CB PHE A 14 -0.942 -3.858 4.352 1.00 0.00 C ATOM 224 CG PHE A 14 -1.948 -3.635 3.256 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.784 -4.678 2.843 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.040 -2.382 2.652 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.714 -4.461 1.821 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.969 -2.162 1.631 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.807 -3.203 1.214 1.00 0.00 C ATOM 0 H PHE A 14 -0.847 -6.459 4.976 1.00 0.00 H new ATOM 0 HA PHE A 14 0.308 -4.768 2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.445 -4.190 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.436 -2.923 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.711 -5.648 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.392 -1.580 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.361 -5.264 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.040 -1.191 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.525 -3.036 0.425 1.00 0.00 H new ATOM 239 N GLU A 15 2.361 -4.174 4.090 1.00 0.00 N ATOM 240 CA GLU A 15 3.625 -3.937 4.775 1.00 0.00 C ATOM 241 C GLU A 15 3.706 -2.479 5.223 1.00 0.00 C ATOM 242 O GLU A 15 4.433 -1.671 4.645 1.00 0.00 O ATOM 243 CB GLU A 15 4.803 -4.257 3.851 1.00 0.00 C ATOM 244 CG GLU A 15 6.071 -4.445 4.686 1.00 0.00 C ATOM 245 CD GLU A 15 7.271 -4.609 3.761 1.00 0.00 C ATOM 246 OE1 GLU A 15 7.177 -5.400 2.836 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.266 -3.941 3.988 1.00 0.00 O ATOM 0 H GLU A 15 2.342 -3.881 3.113 1.00 0.00 H new ATOM 0 HA GLU A 15 3.675 -4.589 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.595 -5.161 3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.945 -3.450 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.218 -3.586 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.970 -5.321 5.327 1.00 0.00 H new ATOM 254 N SER A 16 2.940 -2.148 6.263 1.00 0.00 N ATOM 255 CA SER A 16 2.920 -0.779 6.785 1.00 0.00 C ATOM 256 C SER A 16 4.323 -0.341 7.208 1.00 0.00 C ATOM 257 O SER A 16 4.655 0.844 7.166 1.00 0.00 O ATOM 258 CB SER A 16 1.977 -0.669 7.987 1.00 0.00 C ATOM 259 OG SER A 16 1.025 -1.724 7.939 1.00 0.00 O ATOM 0 H SER A 16 2.331 -2.800 6.757 1.00 0.00 H new ATOM 0 HA SER A 16 2.563 -0.127 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.546 -0.720 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.469 0.295 7.977 1.00 0.00 H new ATOM 0 HG SER A 16 0.422 -1.656 8.708 1.00 0.00 H new ATOM 265 N HIS A 17 5.144 -1.311 7.610 1.00 0.00 N ATOM 266 CA HIS A 17 6.513 -1.014 8.030 1.00 0.00 C ATOM 267 C HIS A 17 7.290 -0.306 6.917 1.00 0.00 C ATOM 268 O HIS A 17 8.289 0.367 7.172 1.00 0.00 O ATOM 269 CB HIS A 17 7.247 -2.304 8.404 1.00 0.00 C ATOM 270 CG HIS A 17 6.964 -2.645 9.841 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.117 -3.680 10.202 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.409 -2.097 11.019 1.00 0.00 C ATOM 273 CE1 HIS A 17 6.078 -3.724 11.546 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.848 -2.780 12.094 1.00 0.00 N ATOM 0 H HIS A 17 4.889 -2.298 7.654 1.00 0.00 H new ATOM 0 HA HIS A 17 6.456 -0.357 8.898 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.925 -3.119 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.319 -2.181 8.253 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.091 -1.263 11.099 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.495 -4.435 12.113 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.994 -2.599 13.087 1.00 0.00 H new ATOM 282 N VAL A 18 6.821 -0.464 5.674 1.00 0.00 N ATOM 283 CA VAL A 18 7.469 0.159 4.522 1.00 0.00 C ATOM 284 C VAL A 18 7.660 1.661 4.745 1.00 0.00 C ATOM 285 O VAL A 18 6.979 2.285 5.559 1.00 0.00 O ATOM 286 CB VAL A 18 6.617 -0.074 3.259 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.212 0.664 2.051 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.576 -1.572 2.954 1.00 0.00 C ATOM 0 H VAL A 18 5.996 -1.018 5.444 1.00 0.00 H new ATOM 0 HA VAL A 18 8.451 -0.296 4.393 1.00 0.00 H new ATOM 0 HB VAL A 18 5.613 0.308 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.592 0.483 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.245 1.734 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.222 0.300 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.975 -1.745 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.589 -1.937 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.135 -2.103 3.797 1.00 0.00 H new ATOM 298 N ALA A 19 8.596 2.217 3.990 1.00 0.00 N ATOM 299 CA ALA A 19 8.897 3.638 4.066 1.00 0.00 C ATOM 300 C ALA A 19 9.319 4.141 2.692 1.00 0.00 C ATOM 301 O ALA A 19 10.067 3.476 1.977 1.00 0.00 O ATOM 302 CB ALA A 19 10.022 3.899 5.067 1.00 0.00 C ATOM 0 H ALA A 19 9.162 1.703 3.315 1.00 0.00 H new ATOM 0 HA ALA A 19 8.003 4.166 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.231 4.968 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.719 3.550 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.919 3.365 4.753 1.00 0.00 H new ATOM 308 N ARG A 20 8.821 5.323 2.328 1.00 0.00 N ATOM 309 CA ARG A 20 9.125 5.933 1.023 1.00 0.00 C ATOM 310 C ARG A 20 10.604 5.796 0.645 1.00 0.00 C ATOM 311 O ARG A 20 10.951 5.733 -0.534 1.00 0.00 O ATOM 312 CB ARG A 20 8.753 7.414 1.041 1.00 0.00 C ATOM 313 CG ARG A 20 8.448 7.885 -0.382 1.00 0.00 C ATOM 314 CD ARG A 20 9.708 8.494 -1.001 1.00 0.00 C ATOM 315 NE ARG A 20 9.643 8.441 -2.459 1.00 0.00 N ATOM 316 CZ ARG A 20 10.292 9.329 -3.205 1.00 0.00 C ATOM 317 NH1 ARG A 20 11.593 9.417 -3.132 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.631 10.114 -4.011 1.00 0.00 N ATOM 0 H ARG A 20 8.203 5.882 2.917 1.00 0.00 H new ATOM 0 HA ARG A 20 8.536 5.400 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.885 7.573 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.571 7.999 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.102 7.047 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.645 8.622 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.817 9.528 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.588 7.955 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 20 9.091 7.712 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.111 8.804 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.091 10.099 -3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.615 10.047 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.130 10.795 -4.583 1.00 0.00 H new ATOM 332 N ALA A 21 11.469 5.749 1.654 1.00 0.00 N ATOM 333 CA ALA A 21 12.903 5.616 1.409 1.00 0.00 C ATOM 334 C ALA A 21 13.209 4.317 0.667 1.00 0.00 C ATOM 335 O ALA A 21 13.727 4.331 -0.450 1.00 0.00 O ATOM 336 CB ALA A 21 13.675 5.626 2.731 1.00 0.00 C ATOM 0 H ALA A 21 11.207 5.800 2.638 1.00 0.00 H new ATOM 0 HA ALA A 21 13.214 6.462 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.742 5.526 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.490 6.565 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.343 4.794 3.352 1.00 0.00 H new ATOM 342 N ASN A 22 12.891 3.197 1.306 1.00 0.00 N ATOM 343 CA ASN A 22 13.140 1.887 0.710 1.00 0.00 C ATOM 344 C ASN A 22 12.128 1.559 -0.394 1.00 0.00 C ATOM 345 O ASN A 22 12.276 0.558 -1.095 1.00 0.00 O ATOM 346 CB ASN A 22 13.083 0.802 1.788 1.00 0.00 C ATOM 347 CG ASN A 22 11.709 0.797 2.451 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.360 1.723 3.184 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.901 -0.205 2.235 1.00 0.00 N ATOM 0 H ASN A 22 12.463 3.168 2.231 1.00 0.00 H new ATOM 0 HA ASN A 22 14.133 1.917 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.286 -0.173 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.856 0.980 2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.980 -0.221 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.190 -0.972 1.628 1.00 0.00 H new ATOM 356 N VAL A 23 11.108 2.403 -0.560 1.00 0.00 N ATOM 357 CA VAL A 23 10.117 2.161 -1.604 1.00 0.00 C ATOM 358 C VAL A 23 10.706 2.561 -2.953 1.00 0.00 C ATOM 359 O VAL A 23 11.347 3.604 -3.083 1.00 0.00 O ATOM 360 CB VAL A 23 8.836 2.961 -1.337 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.774 2.605 -2.383 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.302 2.626 0.065 1.00 0.00 C ATOM 0 H VAL A 23 10.950 3.240 0.001 1.00 0.00 H new ATOM 0 HA VAL A 23 9.861 1.102 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 23 9.061 4.026 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.866 3.176 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.148 2.846 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.551 1.539 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.392 3.195 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.082 1.560 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.053 2.885 0.812 1.00 0.00 H new ATOM 372 N LYS A 24 10.500 1.709 -3.949 1.00 0.00 N ATOM 373 CA LYS A 24 11.035 1.969 -5.284 1.00 0.00 C ATOM 374 C LYS A 24 10.047 2.771 -6.118 1.00 0.00 C ATOM 375 O LYS A 24 10.382 3.828 -6.655 1.00 0.00 O ATOM 376 CB LYS A 24 11.332 0.653 -6.006 1.00 0.00 C ATOM 377 CG LYS A 24 12.445 0.872 -7.031 1.00 0.00 C ATOM 378 CD LYS A 24 12.209 -0.031 -8.243 1.00 0.00 C ATOM 379 CE LYS A 24 12.719 -1.441 -7.937 1.00 0.00 C ATOM 380 NZ LYS A 24 14.116 -1.583 -8.434 1.00 0.00 N ATOM 0 H LYS A 24 9.972 0.840 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 24 11.955 2.541 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.631 -0.109 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.433 0.288 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.467 1.917 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.414 0.652 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.147 -0.062 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.723 0.372 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.683 -1.627 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.076 -2.183 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.609 -2.311 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.101 -1.861 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.614 -0.675 -8.334 1.00 0.00 H new ATOM 394 N HIS A 25 8.828 2.258 -6.229 1.00 0.00 N ATOM 395 CA HIS A 25 7.805 2.943 -7.014 1.00 0.00 C ATOM 396 C HIS A 25 6.416 2.630 -6.474 1.00 0.00 C ATOM 397 O HIS A 25 6.199 1.602 -5.835 1.00 0.00 O ATOM 398 CB HIS A 25 7.877 2.512 -8.479 1.00 0.00 C ATOM 399 CG HIS A 25 8.842 3.399 -9.217 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.817 4.780 -9.095 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.866 3.118 -10.086 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.797 5.274 -9.874 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.468 4.303 -10.501 1.00 0.00 N ATOM 0 H HIS A 25 8.525 1.386 -5.795 1.00 0.00 H new ATOM 0 HA HIS A 25 7.989 4.015 -6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.197 1.472 -8.548 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.889 2.572 -8.936 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.160 2.128 -10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.015 6.327 -9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.252 4.407 -11.145 1.00 0.00 H new ATOM 411 N LEU A 26 5.477 3.532 -6.743 1.00 0.00 N ATOM 412 CA LEU A 26 4.109 3.342 -6.280 1.00 0.00 C ATOM 413 C LEU A 26 3.202 2.948 -7.435 1.00 0.00 C ATOM 414 O LEU A 26 3.363 3.408 -8.565 1.00 0.00 O ATOM 415 CB LEU A 26 3.554 4.622 -5.655 1.00 0.00 C ATOM 416 CG LEU A 26 3.902 4.690 -4.164 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.363 6.001 -3.580 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.261 3.509 -3.427 1.00 0.00 C ATOM 0 H LEU A 26 5.636 4.390 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 26 4.132 2.549 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.964 5.491 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.472 4.656 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 26 4.984 4.646 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.608 6.055 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.817 6.845 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.281 6.037 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.511 3.562 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.178 3.550 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.637 2.574 -3.842 1.00 0.00 H new ATOM 430 N LYS A 27 2.235 2.103 -7.123 1.00 0.00 N ATOM 431 CA LYS A 27 1.273 1.646 -8.122 1.00 0.00 C ATOM 432 C LYS A 27 -0.075 1.374 -7.461 1.00 0.00 C ATOM 433 O LYS A 27 -0.140 0.991 -6.296 1.00 0.00 O ATOM 434 CB LYS A 27 1.769 0.368 -8.803 1.00 0.00 C ATOM 435 CG LYS A 27 2.533 0.730 -10.079 1.00 0.00 C ATOM 436 CD LYS A 27 3.676 -0.264 -10.290 1.00 0.00 C ATOM 437 CE LYS A 27 4.921 0.224 -9.546 1.00 0.00 C ATOM 438 NZ LYS A 27 5.742 -0.948 -9.129 1.00 0.00 N ATOM 0 H LYS A 27 2.092 1.718 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 27 1.162 2.428 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.416 -0.190 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.925 -0.279 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.859 0.713 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.928 1.743 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.386 -1.250 -9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.892 -0.366 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.507 0.882 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.630 0.807 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.588 -0.617 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.181 -1.559 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.030 -1.487 -9.970 1.00 0.00 H new ATOM 452 N ILE A 28 -1.152 1.579 -8.214 1.00 0.00 N ATOM 453 CA ILE A 28 -2.491 1.351 -7.691 1.00 0.00 C ATOM 454 C ILE A 28 -3.373 0.730 -8.769 1.00 0.00 C ATOM 455 O ILE A 28 -3.201 0.992 -9.959 1.00 0.00 O ATOM 456 CB ILE A 28 -3.114 2.669 -7.228 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.183 3.346 -6.220 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.465 2.391 -6.566 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.226 4.284 -6.958 1.00 0.00 C ATOM 0 H ILE A 28 -1.122 1.900 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.418 0.671 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.259 3.324 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.767 3.906 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.619 2.594 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.909 3.330 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.129 1.908 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.321 1.736 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.563 4.766 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.633 3.711 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.799 5.044 -7.490 1.00 0.00 H new ATOM 471 N LEU A 29 -4.322 -0.095 -8.339 1.00 0.00 N ATOM 472 CA LEU A 29 -5.229 -0.747 -9.282 1.00 0.00 C ATOM 473 C LEU A 29 -6.680 -0.497 -8.885 1.00 0.00 C ATOM 474 O LEU A 29 -7.081 -0.736 -7.746 1.00 0.00 O ATOM 475 CB LEU A 29 -4.971 -2.258 -9.337 1.00 0.00 C ATOM 476 CG LEU A 29 -4.875 -2.827 -7.919 1.00 0.00 C ATOM 477 CD1 LEU A 29 -5.311 -4.293 -7.931 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.428 -2.732 -7.427 1.00 0.00 C ATOM 0 H LEU A 29 -4.484 -0.327 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.044 -0.321 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.775 -2.753 -9.882 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.048 -2.458 -9.881 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.523 -2.257 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.244 -4.701 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.340 -4.364 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.660 -4.861 -8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.360 -3.137 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.779 -3.303 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.113 -1.688 -7.421 1.00 0.00 H new ATOM 490 N ASN A 30 -7.463 -0.003 -9.841 1.00 0.00 N ATOM 491 CA ASN A 30 -8.871 0.288 -9.590 1.00 0.00 C ATOM 492 C ASN A 30 -9.705 -0.986 -9.656 1.00 0.00 C ATOM 493 O ASN A 30 -9.510 -1.830 -10.531 1.00 0.00 O ATOM 494 CB ASN A 30 -9.404 1.285 -10.620 1.00 0.00 C ATOM 495 CG ASN A 30 -10.788 1.765 -10.196 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.923 2.808 -9.557 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.836 1.057 -10.517 1.00 0.00 N ATOM 0 H ASN A 30 -7.149 0.203 -10.789 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.949 0.719 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.724 2.133 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.455 0.816 -11.603 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.767 1.368 -10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.725 0.192 -11.047 1.00 0.00 H new ATOM 504 N THR A 31 -10.638 -1.114 -8.717 1.00 0.00 N ATOM 505 CA THR A 31 -11.506 -2.285 -8.666 1.00 0.00 C ATOM 506 C THR A 31 -12.898 -1.885 -8.162 1.00 0.00 C ATOM 507 O THR A 31 -13.013 -1.062 -7.254 1.00 0.00 O ATOM 508 CB THR A 31 -10.916 -3.336 -7.722 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.543 -3.531 -8.035 1.00 0.00 O ATOM 510 CG2 THR A 31 -11.668 -4.657 -7.880 1.00 0.00 C ATOM 0 H THR A 31 -10.812 -0.425 -7.985 1.00 0.00 H new ATOM 0 HA THR A 31 -11.586 -2.701 -9.670 1.00 0.00 H new ATOM 0 HB THR A 31 -11.013 -2.991 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.203 -4.309 -7.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.243 -5.400 -7.206 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.720 -4.508 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.577 -5.006 -8.908 1.00 0.00 H new ATOM 518 N PRO A 32 -13.977 -2.452 -8.733 1.00 0.00 N ATOM 519 CA PRO A 32 -15.352 -2.123 -8.309 1.00 0.00 C ATOM 520 C PRO A 32 -15.775 -2.893 -7.064 1.00 0.00 C ATOM 521 O PRO A 32 -16.259 -2.315 -6.091 1.00 0.00 O ATOM 522 CB PRO A 32 -16.186 -2.534 -9.514 1.00 0.00 C ATOM 523 CG PRO A 32 -15.384 -3.580 -10.274 1.00 0.00 C ATOM 524 CD PRO A 32 -13.924 -3.452 -9.830 1.00 0.00 C ATOM 0 HA PRO A 32 -15.463 -1.074 -8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.147 -2.940 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.397 -1.673 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.762 -4.580 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -15.473 -3.425 -11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.525 -4.406 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.285 -3.117 -10.647 1.00 0.00 H new ATOM 532 N ASN A 33 -15.577 -4.205 -7.105 1.00 0.00 N ATOM 533 CA ASN A 33 -15.928 -5.058 -5.977 1.00 0.00 C ATOM 534 C ASN A 33 -15.157 -4.641 -4.722 1.00 0.00 C ATOM 535 O ASN A 33 -15.601 -4.878 -3.599 1.00 0.00 O ATOM 536 CB ASN A 33 -15.612 -6.521 -6.293 1.00 0.00 C ATOM 537 CG ASN A 33 -16.444 -7.427 -5.393 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.208 -7.502 -4.187 1.00 0.00 O ATOM 539 ND2 ASN A 33 -17.415 -8.129 -5.911 1.00 0.00 N ATOM 0 H ASN A 33 -15.177 -4.699 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.997 -4.947 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.828 -6.733 -7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.550 -6.716 -6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.977 -8.739 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.612 -8.068 -6.910 1.00 0.00 H new ATOM 546 N CYS A 34 -13.995 -4.021 -4.928 1.00 0.00 N ATOM 547 CA CYS A 34 -13.168 -3.577 -3.810 1.00 0.00 C ATOM 548 C CYS A 34 -12.875 -2.085 -3.929 1.00 0.00 C ATOM 549 O CYS A 34 -13.391 -1.406 -4.815 1.00 0.00 O ATOM 550 CB CYS A 34 -11.845 -4.347 -3.793 1.00 0.00 C ATOM 551 SG CYS A 34 -12.184 -6.121 -3.695 1.00 0.00 S ATOM 0 H CYS A 34 -13.609 -3.817 -5.850 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.712 -3.767 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.270 -4.124 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.240 -4.034 -2.942 1.00 0.00 H new ATOM 0 HG CYS A 34 -11.062 -6.777 -3.682 1.00 0.00 H new ATOM 556 N ALA A 35 -12.039 -1.583 -3.025 1.00 0.00 N ATOM 557 CA ALA A 35 -11.679 -0.170 -3.035 1.00 0.00 C ATOM 558 C ALA A 35 -10.348 0.031 -3.759 1.00 0.00 C ATOM 559 O ALA A 35 -9.854 -0.871 -4.435 1.00 0.00 O ATOM 560 CB ALA A 35 -11.565 0.361 -1.603 1.00 0.00 C ATOM 0 H ALA A 35 -11.602 -2.129 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.461 0.380 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.296 1.417 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.521 0.242 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.797 -0.197 -1.068 1.00 0.00 H new ATOM 566 N LEU A 36 -9.771 1.222 -3.608 1.00 0.00 N ATOM 567 CA LEU A 36 -8.494 1.523 -4.250 1.00 0.00 C ATOM 568 C LEU A 36 -7.350 0.914 -3.453 1.00 0.00 C ATOM 569 O LEU A 36 -6.902 1.473 -2.452 1.00 0.00 O ATOM 570 CB LEU A 36 -8.288 3.036 -4.343 1.00 0.00 C ATOM 571 CG LEU A 36 -9.011 3.576 -5.581 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.372 4.143 -5.174 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.171 4.684 -6.221 1.00 0.00 C ATOM 0 H LEU A 36 -10.161 1.985 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.508 1.098 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.670 3.521 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.224 3.266 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.154 2.766 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.885 4.527 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.973 3.356 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.230 4.951 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.686 5.068 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.027 5.492 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.201 4.282 -6.514 1.00 0.00 H new ATOM 585 N GLN A 37 -6.876 -0.240 -3.915 1.00 0.00 N ATOM 586 CA GLN A 37 -5.775 -0.922 -3.244 1.00 0.00 C ATOM 587 C GLN A 37 -4.450 -0.403 -3.784 1.00 0.00 C ATOM 588 O GLN A 37 -4.118 -0.607 -4.955 1.00 0.00 O ATOM 589 CB GLN A 37 -5.844 -2.437 -3.470 1.00 0.00 C ATOM 590 CG GLN A 37 -7.260 -2.945 -3.176 1.00 0.00 C ATOM 591 CD GLN A 37 -8.062 -2.984 -4.473 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.857 -2.158 -5.362 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.971 -3.904 -4.636 1.00 0.00 N ATOM 0 H GLN A 37 -7.233 -0.718 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.854 -0.723 -2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.570 -2.673 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.126 -2.943 -2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.217 -3.939 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.749 -2.293 -2.452 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.141 -4.589 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.512 -3.939 -5.500 1.00 0.00 H new ATOM 602 N ILE A 38 -3.697 0.281 -2.927 1.00 0.00 N ATOM 603 CA ILE A 38 -2.415 0.826 -3.348 1.00 0.00 C ATOM 604 C ILE A 38 -1.317 -0.216 -3.202 1.00 0.00 C ATOM 605 O ILE A 38 -1.006 -0.680 -2.102 1.00 0.00 O ATOM 606 CB ILE A 38 -2.029 2.061 -2.533 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.195 3.054 -2.516 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.806 2.722 -3.179 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.025 4.021 -1.343 1.00 0.00 C ATOM 0 H ILE A 38 -3.947 0.467 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.522 1.113 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.795 1.766 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.229 3.607 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.141 2.519 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.523 3.604 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.024 2.016 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.048 3.016 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.855 4.728 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.012 3.460 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.087 4.565 -1.453 1.00 0.00 H new ATOM 621 N VAL A 39 -0.714 -0.550 -4.330 1.00 0.00 N ATOM 622 CA VAL A 39 0.375 -1.512 -4.344 1.00 0.00 C ATOM 623 C VAL A 39 1.688 -0.754 -4.424 1.00 0.00 C ATOM 624 O VAL A 39 1.701 0.469 -4.576 1.00 0.00 O ATOM 625 CB VAL A 39 0.255 -2.468 -5.536 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.022 -3.298 -5.396 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.199 -1.668 -6.838 1.00 0.00 C ATOM 0 H VAL A 39 -0.959 -0.171 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 39 0.334 -2.109 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 39 1.122 -3.128 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.108 -3.978 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.982 -3.873 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.887 -2.635 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.114 -2.352 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.665 -1.004 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.109 -1.076 -6.941 1.00 0.00 H new ATOM 637 N ALA A 40 2.791 -1.474 -4.304 1.00 0.00 N ATOM 638 CA ALA A 40 4.093 -0.828 -4.350 1.00 0.00 C ATOM 639 C ALA A 40 5.192 -1.822 -4.658 1.00 0.00 C ATOM 640 O ALA A 40 4.948 -3.014 -4.820 1.00 0.00 O ATOM 641 CB ALA A 40 4.398 -0.182 -3.005 1.00 0.00 C ATOM 0 H ALA A 40 2.814 -2.486 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 40 4.059 -0.077 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.375 0.300 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.635 0.563 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.403 -0.946 -2.227 1.00 0.00 H new ATOM 647 N ARG A 41 6.411 -1.303 -4.713 1.00 0.00 N ATOM 648 CA ARG A 41 7.581 -2.130 -4.978 1.00 0.00 C ATOM 649 C ARG A 41 8.758 -1.628 -4.144 1.00 0.00 C ATOM 650 O ARG A 41 9.247 -0.515 -4.345 1.00 0.00 O ATOM 651 CB ARG A 41 7.939 -2.091 -6.462 1.00 0.00 C ATOM 652 CG ARG A 41 9.087 -3.064 -6.746 1.00 0.00 C ATOM 653 CD ARG A 41 8.518 -4.405 -7.215 1.00 0.00 C ATOM 654 NE ARG A 41 7.887 -4.266 -8.525 1.00 0.00 N ATOM 655 CZ ARG A 41 8.055 -5.190 -9.467 1.00 0.00 C ATOM 656 NH1 ARG A 41 7.604 -6.401 -9.281 1.00 0.00 N ATOM 657 NH2 ARG A 41 8.669 -4.886 -10.578 1.00 0.00 N ATOM 0 H ARG A 41 6.616 -0.313 -4.578 1.00 0.00 H new ATOM 0 HA ARG A 41 7.355 -3.161 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.069 -2.356 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.228 -1.080 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.747 -2.651 -7.508 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.687 -3.206 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.315 -5.146 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.789 -4.770 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 41 7.309 -3.448 -8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.123 -6.638 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.733 -7.110 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.020 -3.940 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.798 -5.595 -11.300 1.00 0.00 H new ATOM 671 N LEU A 42 9.182 -2.457 -3.190 1.00 0.00 N ATOM 672 CA LEU A 42 10.277 -2.101 -2.294 1.00 0.00 C ATOM 673 C LEU A 42 11.639 -2.302 -2.953 1.00 0.00 C ATOM 674 O LEU A 42 11.756 -2.946 -3.999 1.00 0.00 O ATOM 675 CB LEU A 42 10.209 -2.957 -1.035 1.00 0.00 C ATOM 676 CG LEU A 42 8.870 -2.733 -0.337 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.659 -3.819 0.720 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.868 -1.357 0.334 1.00 0.00 C ATOM 0 H LEU A 42 8.782 -3.380 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 42 10.168 -1.045 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.325 -4.010 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.028 -2.700 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 42 8.065 -2.779 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.703 -3.660 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.660 -4.798 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.464 -3.774 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.912 -1.197 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.672 -1.309 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.018 -0.584 -0.420 1.00 0.00 H new ATOM 690 N LYS A 43 12.666 -1.728 -2.318 1.00 0.00 N ATOM 691 CA LYS A 43 14.036 -1.817 -2.831 1.00 0.00 C ATOM 692 C LYS A 43 14.924 -2.668 -1.923 1.00 0.00 C ATOM 693 O LYS A 43 15.626 -3.565 -2.388 1.00 0.00 O ATOM 694 CB LYS A 43 14.648 -0.411 -2.939 1.00 0.00 C ATOM 695 CG LYS A 43 14.526 0.100 -4.374 1.00 0.00 C ATOM 696 CD LYS A 43 15.612 -0.542 -5.241 1.00 0.00 C ATOM 697 CE LYS A 43 16.843 0.365 -5.270 1.00 0.00 C ATOM 698 NZ LYS A 43 17.599 0.137 -6.533 1.00 0.00 N ATOM 0 H LYS A 43 12.575 -1.199 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 43 13.986 -2.288 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.139 0.270 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.696 -0.437 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.540 -0.138 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.625 1.185 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.878 -1.521 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.239 -0.699 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.540 1.410 -5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.480 0.159 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.436 0.754 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.900 -0.857 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.989 0.355 -7.347 1.00 0.00 H new ATOM 712 N ASN A 44 14.902 -2.355 -0.624 1.00 0.00 N ATOM 713 CA ASN A 44 15.725 -3.074 0.366 1.00 0.00 C ATOM 714 C ASN A 44 15.697 -4.587 0.141 1.00 0.00 C ATOM 715 O ASN A 44 16.693 -5.281 0.344 1.00 0.00 O ATOM 716 CB ASN A 44 15.228 -2.776 1.784 1.00 0.00 C ATOM 717 CG ASN A 44 15.977 -1.572 2.347 1.00 0.00 C ATOM 718 OD1 ASN A 44 15.363 -0.618 2.824 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.282 -1.561 2.321 1.00 0.00 N ATOM 0 H ASN A 44 14.326 -1.611 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 44 16.750 -2.725 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.157 -2.576 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.382 -3.645 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.793 -0.762 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.791 -2.352 1.926 1.00 0.00 H new ATOM 726 N ASN A 45 14.544 -5.082 -0.287 1.00 0.00 N ATOM 727 CA ASN A 45 14.383 -6.513 -0.548 1.00 0.00 C ATOM 728 C ASN A 45 14.138 -6.767 -2.035 1.00 0.00 C ATOM 729 O ASN A 45 14.489 -7.821 -2.562 1.00 0.00 O ATOM 730 CB ASN A 45 13.208 -7.075 0.256 1.00 0.00 C ATOM 731 CG ASN A 45 11.969 -6.204 0.062 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.993 -5.238 -0.698 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.877 -6.491 0.716 1.00 0.00 N ATOM 0 H ASN A 45 13.709 -4.522 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 45 15.303 -7.013 -0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.997 -8.096 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.469 -7.118 1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.044 -5.914 0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.856 -7.292 1.347 1.00 0.00 H new ATOM 740 N ASN A 46 13.528 -5.784 -2.700 1.00 0.00 N ATOM 741 CA ASN A 46 13.224 -5.881 -4.134 1.00 0.00 C ATOM 742 C ASN A 46 12.026 -6.795 -4.360 1.00 0.00 C ATOM 743 O ASN A 46 12.174 -7.994 -4.596 1.00 0.00 O ATOM 744 CB ASN A 46 14.418 -6.414 -4.942 1.00 0.00 C ATOM 745 CG ASN A 46 15.692 -5.685 -4.522 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.813 -4.475 -4.713 1.00 0.00 O ATOM 747 ND2 ASN A 46 16.658 -6.356 -3.957 1.00 0.00 N ATOM 0 H ASN A 46 13.233 -4.908 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 46 12.998 -4.872 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.530 -7.486 -4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.241 -6.271 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.513 -5.878 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.558 -7.359 -3.799 1.00 0.00 H new ATOM 754 N ARG A 47 10.833 -6.208 -4.290 1.00 0.00 N ATOM 755 CA ARG A 47 9.605 -6.975 -4.494 1.00 0.00 C ATOM 756 C ARG A 47 8.384 -6.066 -4.395 1.00 0.00 C ATOM 757 O ARG A 47 8.481 -4.922 -3.950 1.00 0.00 O ATOM 758 CB ARG A 47 9.482 -8.098 -3.459 1.00 0.00 C ATOM 759 CG ARG A 47 9.674 -7.530 -2.051 1.00 0.00 C ATOM 760 CD ARG A 47 9.449 -8.639 -1.019 1.00 0.00 C ATOM 761 NE ARG A 47 8.085 -8.587 -0.498 1.00 0.00 N ATOM 762 CZ ARG A 47 7.462 -9.692 -0.099 1.00 0.00 C ATOM 763 NH1 ARG A 47 8.099 -10.576 0.620 1.00 0.00 N ATOM 764 NH2 ARG A 47 6.215 -9.892 -0.427 1.00 0.00 N ATOM 0 H ARG A 47 10.690 -5.217 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 47 9.651 -7.414 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.504 -8.573 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.228 -8.869 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.678 -7.119 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.975 -6.711 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.633 -9.611 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.161 -8.532 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 47 7.603 -7.690 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.074 -10.419 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.622 -11.424 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.718 -9.201 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.737 -10.739 -0.121 1.00 0.00 H new ATOM 778 N GLN A 48 7.236 -6.585 -4.825 1.00 0.00 N ATOM 779 CA GLN A 48 5.999 -5.807 -4.795 1.00 0.00 C ATOM 780 C GLN A 48 5.230 -6.046 -3.497 1.00 0.00 C ATOM 781 O GLN A 48 5.111 -7.180 -3.034 1.00 0.00 O ATOM 782 CB GLN A 48 5.107 -6.185 -5.980 1.00 0.00 C ATOM 783 CG GLN A 48 3.918 -5.226 -6.060 1.00 0.00 C ATOM 784 CD GLN A 48 2.771 -5.897 -6.806 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.983 -6.545 -7.831 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.554 -5.781 -6.349 1.00 0.00 N ATOM 0 H GLN A 48 7.136 -7.530 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 48 6.269 -4.753 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.681 -6.146 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.753 -7.210 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.597 -4.943 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.211 -4.309 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.377 -5.244 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.780 -6.227 -6.841 1.00 0.00 H new ATOM 795 N VAL A 49 4.705 -4.964 -2.912 1.00 0.00 N ATOM 796 CA VAL A 49 3.945 -5.088 -1.662 1.00 0.00 C ATOM 797 C VAL A 49 2.810 -4.071 -1.601 1.00 0.00 C ATOM 798 O VAL A 49 2.849 -3.034 -2.259 1.00 0.00 O ATOM 799 CB VAL A 49 4.847 -4.865 -0.445 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.759 -6.072 -0.253 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.698 -3.608 -0.653 1.00 0.00 C ATOM 0 H VAL A 49 4.788 -4.014 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 49 3.537 -6.098 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 49 4.225 -4.736 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.400 -5.910 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.153 -6.964 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.377 -6.206 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.338 -3.454 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.317 -3.730 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.046 -2.744 -0.781 1.00 0.00 H new ATOM 811 N CYS A 50 1.809 -4.371 -0.773 1.00 0.00 N ATOM 812 CA CYS A 50 0.678 -3.468 -0.600 1.00 0.00 C ATOM 813 C CYS A 50 0.971 -2.542 0.574 1.00 0.00 C ATOM 814 O CYS A 50 1.116 -2.997 1.709 1.00 0.00 O ATOM 815 CB CYS A 50 -0.607 -4.251 -0.309 1.00 0.00 C ATOM 816 SG CYS A 50 -0.919 -5.440 -1.642 1.00 0.00 S ATOM 0 H CYS A 50 1.761 -5.225 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 50 0.536 -2.898 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.517 -4.774 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.449 -3.565 -0.217 1.00 0.00 H new ATOM 821 N ILE A 51 1.078 -1.246 0.299 1.00 0.00 N ATOM 822 CA ILE A 51 1.379 -0.296 1.369 1.00 0.00 C ATOM 823 C ILE A 51 0.113 0.123 2.093 1.00 0.00 C ATOM 824 O ILE A 51 -0.973 0.167 1.514 1.00 0.00 O ATOM 825 CB ILE A 51 2.092 0.946 0.837 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.271 0.525 -0.043 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.622 1.755 2.022 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.930 1.763 -0.645 1.00 0.00 C ATOM 0 H ILE A 51 0.965 -0.836 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 51 2.043 -0.805 2.067 1.00 0.00 H new ATOM 0 HB ILE A 51 1.396 1.545 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.997 -0.035 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.927 -0.138 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.134 2.645 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.790 2.052 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.320 1.145 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.769 1.460 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.203 2.305 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.289 2.410 0.156 1.00 0.00 H new ATOM 840 N ASP A 52 0.268 0.413 3.380 1.00 0.00 N ATOM 841 CA ASP A 52 -0.864 0.812 4.206 1.00 0.00 C ATOM 842 C ASP A 52 -1.211 2.287 3.964 1.00 0.00 C ATOM 843 O ASP A 52 -0.319 3.115 3.785 1.00 0.00 O ATOM 844 CB ASP A 52 -0.528 0.603 5.692 1.00 0.00 C ATOM 845 CG ASP A 52 -1.573 -0.300 6.343 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.669 -1.447 5.942 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.264 0.172 7.232 1.00 0.00 O ATOM 0 H ASP A 52 1.161 0.379 3.871 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.722 0.197 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.462 0.157 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.496 1.564 6.205 1.00 0.00 H new ATOM 852 N PRO A 53 -2.509 2.639 3.963 1.00 0.00 N ATOM 853 CA PRO A 53 -2.942 4.035 3.744 1.00 0.00 C ATOM 854 C PRO A 53 -2.741 4.911 4.980 1.00 0.00 C ATOM 855 O PRO A 53 -2.701 6.137 4.886 1.00 0.00 O ATOM 856 CB PRO A 53 -4.423 3.888 3.419 1.00 0.00 C ATOM 857 CG PRO A 53 -4.879 2.574 4.028 1.00 0.00 C ATOM 858 CD PRO A 53 -3.637 1.695 4.183 1.00 0.00 C ATOM 0 HA PRO A 53 -2.365 4.528 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.993 4.722 3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.584 3.891 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.355 2.742 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.617 2.089 3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.590 1.238 5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.628 0.883 3.456 1.00 0.00 H new ATOM 866 N LYS A 54 -2.614 4.268 6.140 1.00 0.00 N ATOM 867 CA LYS A 54 -2.416 5.004 7.383 1.00 0.00 C ATOM 868 C LYS A 54 -0.930 5.269 7.650 1.00 0.00 C ATOM 869 O LYS A 54 -0.563 5.720 8.735 1.00 0.00 O ATOM 870 CB LYS A 54 -2.996 4.220 8.562 1.00 0.00 C ATOM 871 CG LYS A 54 -4.511 4.429 8.621 1.00 0.00 C ATOM 872 CD LYS A 54 -5.174 3.192 9.232 1.00 0.00 C ATOM 873 CE LYS A 54 -4.766 3.067 10.701 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.662 3.911 11.539 1.00 0.00 N ATOM 0 H LYS A 54 -2.644 3.254 6.243 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.930 5.959 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.769 3.159 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.536 4.551 9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.744 5.311 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.903 4.608 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.258 3.270 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.876 2.298 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.827 2.026 11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.730 3.379 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.385 3.826 12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.582 4.904 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.646 3.593 11.425 1.00 0.00 H new ATOM 888 N LEU A 55 -0.072 4.995 6.661 1.00 0.00 N ATOM 889 CA LEU A 55 1.358 5.229 6.840 1.00 0.00 C ATOM 890 C LEU A 55 1.620 6.719 7.019 1.00 0.00 C ATOM 891 O LEU A 55 0.771 7.555 6.707 1.00 0.00 O ATOM 892 CB LEU A 55 2.146 4.697 5.642 1.00 0.00 C ATOM 893 CG LEU A 55 2.716 3.313 5.973 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.411 2.731 4.738 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.724 3.424 7.126 1.00 0.00 C ATOM 0 H LEU A 55 -0.338 4.620 5.750 1.00 0.00 H new ATOM 0 HA LEU A 55 1.689 4.697 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.499 4.635 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.955 5.384 5.392 1.00 0.00 H new ATOM 0 HG LEU A 55 1.900 2.655 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.815 1.747 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.691 2.640 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.222 3.391 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.125 2.437 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.538 4.087 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.225 3.827 8.008 1.00 0.00 H new ATOM 907 N LYS A 56 2.790 7.042 7.554 1.00 0.00 N ATOM 908 CA LYS A 56 3.137 8.432 7.806 1.00 0.00 C ATOM 909 C LYS A 56 3.571 9.145 6.536 1.00 0.00 C ATOM 910 O LYS A 56 3.261 10.320 6.341 1.00 0.00 O ATOM 911 CB LYS A 56 4.259 8.529 8.843 1.00 0.00 C ATOM 912 CG LYS A 56 4.232 9.912 9.496 1.00 0.00 C ATOM 913 CD LYS A 56 5.473 10.087 10.372 1.00 0.00 C ATOM 914 CE LYS A 56 5.208 9.496 11.759 1.00 0.00 C ATOM 915 NZ LYS A 56 6.258 9.964 12.707 1.00 0.00 N ATOM 0 H LYS A 56 3.508 6.367 7.819 1.00 0.00 H new ATOM 0 HA LYS A 56 2.239 8.919 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.136 7.755 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.225 8.359 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.202 10.687 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.330 10.024 10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.328 9.592 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.724 11.144 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.222 9.799 12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.208 8.407 11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.078 9.563 13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.192 9.654 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.237 11.002 12.763 1.00 0.00 H new ATOM 929 N TRP A 57 4.292 8.443 5.674 1.00 0.00 N ATOM 930 CA TRP A 57 4.741 9.063 4.437 1.00 0.00 C ATOM 931 C TRP A 57 3.674 8.941 3.358 1.00 0.00 C ATOM 932 O TRP A 57 3.583 9.788 2.467 1.00 0.00 O ATOM 933 CB TRP A 57 6.067 8.468 3.952 1.00 0.00 C ATOM 934 CG TRP A 57 5.927 7.020 3.599 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.995 5.983 4.469 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.714 6.437 2.285 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.865 4.802 3.760 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.685 5.032 2.412 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.554 6.990 1.005 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.504 4.203 1.309 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.364 6.159 -0.112 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.342 4.766 0.042 1.00 0.00 C ATOM 0 H TRP A 57 4.572 7.471 5.802 1.00 0.00 H new ATOM 0 HA TRP A 57 4.911 10.120 4.644 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.418 9.023 3.082 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.823 8.582 4.729 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.128 6.065 5.538 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.898 3.874 4.183 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.577 8.062 0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.489 3.130 1.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.235 6.595 -1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.200 4.129 -0.819 1.00 0.00 H new ATOM 953 N ILE A 58 2.858 7.892 3.443 1.00 0.00 N ATOM 954 CA ILE A 58 1.809 7.714 2.459 1.00 0.00 C ATOM 955 C ILE A 58 0.616 8.618 2.782 1.00 0.00 C ATOM 956 O ILE A 58 -0.191 8.902 1.902 1.00 0.00 O ATOM 957 CB ILE A 58 1.391 6.230 2.342 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.515 5.495 1.556 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.017 6.094 1.632 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.975 4.359 0.669 1.00 0.00 C ATOM 0 H ILE A 58 2.905 7.173 4.165 1.00 0.00 H new ATOM 0 HA ILE A 58 2.199 8.009 1.485 1.00 0.00 H new ATOM 0 HB ILE A 58 1.271 5.785 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.047 6.214 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.239 5.087 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.254 5.040 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.742 6.627 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.081 6.519 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.803 3.882 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.467 3.622 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.272 4.767 -0.058 1.00 0.00 H new ATOM 972 N GLN A 59 0.503 9.082 4.032 1.00 0.00 N ATOM 973 CA GLN A 59 -0.611 9.957 4.364 1.00 0.00 C ATOM 974 C GLN A 59 -0.437 11.295 3.649 1.00 0.00 C ATOM 975 O GLN A 59 -1.414 11.949 3.284 1.00 0.00 O ATOM 976 CB GLN A 59 -0.740 10.179 5.875 1.00 0.00 C ATOM 977 CG GLN A 59 0.576 10.710 6.447 1.00 0.00 C ATOM 978 CD GLN A 59 0.285 11.744 7.529 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.850 12.838 7.519 1.00 0.00 O ATOM 980 NE2 GLN A 59 -0.571 11.461 8.473 1.00 0.00 N ATOM 0 H GLN A 59 1.144 8.874 4.798 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.529 9.473 4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.544 10.886 6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.006 9.243 6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.161 9.889 6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.174 11.158 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.039 10.555 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.771 12.146 9.202 1.00 0.00 H new ATOM 989 N GLU A 60 0.820 11.682 3.421 1.00 0.00 N ATOM 990 CA GLU A 60 1.102 12.927 2.714 1.00 0.00 C ATOM 991 C GLU A 60 0.937 12.700 1.214 1.00 0.00 C ATOM 992 O GLU A 60 0.466 13.569 0.483 1.00 0.00 O ATOM 993 CB GLU A 60 2.530 13.399 2.998 1.00 0.00 C ATOM 994 CG GLU A 60 2.541 14.252 4.268 1.00 0.00 C ATOM 995 CD GLU A 60 3.756 15.174 4.251 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.904 15.908 3.287 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.519 15.134 5.201 1.00 0.00 O ATOM 0 H GLU A 60 1.646 11.158 3.712 1.00 0.00 H new ATOM 0 HA GLU A 60 0.406 13.691 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.191 12.541 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.908 13.978 2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.626 14.840 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.570 13.611 5.149 1.00 0.00 H new ATOM 1004 N TYR A 61 1.322 11.502 0.776 1.00 0.00 N ATOM 1005 CA TYR A 61 1.211 11.130 -0.632 1.00 0.00 C ATOM 1006 C TYR A 61 -0.267 11.024 -1.014 1.00 0.00 C ATOM 1007 O TYR A 61 -0.720 11.625 -1.988 1.00 0.00 O ATOM 1008 CB TYR A 61 1.953 9.786 -0.865 1.00 0.00 C ATOM 1009 CG TYR A 61 1.403 9.020 -2.055 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.261 9.646 -3.298 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.025 7.683 -1.896 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.743 8.932 -4.385 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.506 6.968 -2.980 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.366 7.592 -4.226 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.147 6.887 -5.297 1.00 0.00 O ATOM 0 H TYR A 61 1.713 10.775 1.375 1.00 0.00 H new ATOM 0 HA TYR A 61 1.672 11.890 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.014 9.982 -1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.871 9.169 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.551 10.679 -3.419 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.134 7.202 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.634 9.414 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.213 5.936 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 61 0.234 7.235 -6.130 1.00 0.00 H new ATOM 1025 N LEU A 62 -1.006 10.247 -0.233 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.428 10.056 -0.488 1.00 0.00 C ATOM 1027 C LEU A 62 -3.167 11.390 -0.403 1.00 0.00 C ATOM 1028 O LEU A 62 -4.194 11.591 -1.053 1.00 0.00 O ATOM 1029 CB LEU A 62 -3.015 9.082 0.537 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.971 8.109 -0.160 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.071 6.819 0.656 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.356 8.749 -0.271 1.00 0.00 C ATOM 0 H LEU A 62 -0.648 9.742 0.577 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.549 9.646 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.214 8.530 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.545 9.633 1.314 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.594 7.880 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.751 6.127 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.084 6.363 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.449 7.047 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.038 8.058 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.732 8.977 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.286 9.669 -0.852 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.629 12.299 0.405 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.241 13.615 0.567 1.00 0.00 C ATOM 1046 C GLU A 63 -3.140 14.410 -0.731 1.00 0.00 C ATOM 1047 O GLU A 63 -4.086 15.084 -1.139 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.547 14.396 1.686 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.337 15.673 1.982 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.532 16.562 2.925 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -2.251 16.121 4.027 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.209 17.670 2.530 1.00 0.00 O ATOM 0 H GLU A 63 -1.781 12.152 0.952 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.290 13.470 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.478 13.782 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.528 14.646 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.548 16.206 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.298 15.423 2.432 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.980 14.322 -1.375 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.759 15.036 -2.630 1.00 0.00 C ATOM 1061 C LYS A 64 -2.277 14.220 -3.813 1.00 0.00 C ATOM 1062 O LYS A 64 -2.696 14.774 -4.829 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.268 15.324 -2.834 1.00 0.00 C ATOM 1064 CG LYS A 64 0.528 14.017 -2.777 1.00 0.00 C ATOM 1065 CD LYS A 64 1.948 14.262 -3.291 1.00 0.00 C ATOM 1066 CE LYS A 64 1.910 14.506 -4.801 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.226 14.140 -5.396 1.00 0.00 N ATOM 0 H LYS A 64 -1.185 13.769 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.304 15.978 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.111 15.814 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.087 16.010 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.560 13.642 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.038 13.253 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.386 15.122 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.580 13.403 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.116 13.914 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.685 15.553 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.201 14.306 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.974 14.723 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.423 13.135 -5.212 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.244 12.897 -3.672 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.712 12.015 -4.737 1.00 0.00 C ATOM 1083 C ALA A 65 -4.216 12.168 -4.933 1.00 0.00 C ATOM 1084 O ALA A 65 -4.726 12.066 -6.049 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.399 10.556 -4.402 1.00 0.00 C ATOM 0 H ALA A 65 -1.902 12.416 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.195 12.294 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.755 9.913 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.322 10.432 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.896 10.282 -3.472 1.00 0.00 H new