USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 46 MET CE :methyl -157:sc= -0.247 (180deg=-0.884) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 148:sc= 0.618 (180deg=0.525) USER MOD Set 1.3: A 50 HIS :FLIP no HD1:sc= -7.86! C(o=-11!,f=-8.9!) USER MOD Set 1.4: A 74 MET CE :methyl -165:sc= -1.4 (180deg=-1.78) USER MOD Set 2.1: A 18 CYS SG : rot 69:sc= 0.836 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -2.97 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -3.21 K(o=-7.6,f=-8.3) USER MOD Set 2.4: A 35 CYS SG : rot 65:sc= 0.175 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -2.43! C(o=-7.6!,f=-8.3!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 15 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-3.7!) USER MOD Single : A 16 THR OG1 : rot 100:sc= -0.836 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -70:sc= 1.08 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= -1.97! (180deg=-3.64!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.15 F(o=-1.9,f=-1.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.086) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 142:sc= 1.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.15! C(o=-3.2!,f=-7.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0049 X(o=-0.0049,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 110:sc=-0.00321 USER MOD Single : A 75 ASN : amide:sc= -0.0429 K(o=-0.043,f=-1.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.077 X(o=-0.077,f=-0.31) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -0.0546 (180deg=-0.287) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.558 10.153 16.606 1.00 0.00 N ATOM 154 CA GLN A 14 2.451 10.062 15.155 1.00 0.00 C ATOM 155 C GLN A 14 1.677 8.814 14.743 1.00 0.00 C ATOM 156 O GLN A 14 2.155 7.692 14.909 1.00 0.00 O ATOM 157 CB GLN A 14 3.843 10.046 14.521 1.00 0.00 C ATOM 158 CG GLN A 14 4.749 8.956 15.070 1.00 0.00 C ATOM 159 CD GLN A 14 6.163 9.044 14.528 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.796 10.099 14.582 1.00 0.00 O ATOM 161 NE2 GLN A 14 6.665 7.934 14.002 1.00 0.00 N ATOM 0 HA GLN A 14 1.907 10.937 14.800 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.741 9.914 13.444 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.317 11.015 14.680 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.776 9.025 16.157 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.329 7.981 14.823 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.105 7.082 13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.611 7.933 13.621 1.00 0.00 H new ATOM 170 N HIS A 15 0.479 9.018 14.204 1.00 0.00 N ATOM 171 CA HIS A 15 -0.362 7.909 13.768 1.00 0.00 C ATOM 172 C HIS A 15 -0.884 8.147 12.354 1.00 0.00 C ATOM 173 O HIS A 15 -1.342 9.241 12.025 1.00 0.00 O ATOM 174 CB HIS A 15 -1.534 7.720 14.732 1.00 0.00 C ATOM 175 CG HIS A 15 -1.114 7.551 16.159 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.333 8.470 16.828 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.372 6.563 17.047 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.128 8.054 18.064 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.748 6.899 18.223 1.00 0.00 N ATOM 0 H HIS A 15 0.069 9.941 14.059 1.00 0.00 H new ATOM 0 HA HIS A 15 0.245 7.004 13.765 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.198 8.581 14.657 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.109 6.846 14.425 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.959 5.675 16.865 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.449 8.570 18.817 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.761 6.346 19.080 1.00 0.00 H new ATOM 187 N THR A 16 -0.810 7.114 11.520 1.00 0.00 N ATOM 188 CA THR A 16 -1.273 7.211 10.141 1.00 0.00 C ATOM 189 C THR A 16 -2.548 6.403 9.931 1.00 0.00 C ATOM 190 O THR A 16 -2.599 5.200 10.188 1.00 0.00 O ATOM 191 CB THR A 16 -0.199 6.720 9.152 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.673 6.854 7.808 1.00 0.00 O ATOM 193 CG2 THR A 16 0.164 5.268 9.425 1.00 0.00 C ATOM 0 H THR A 16 -0.434 6.201 11.776 1.00 0.00 H new ATOM 0 HA THR A 16 -1.478 8.264 9.950 1.00 0.00 H new ATOM 0 HB THR A 16 0.693 7.332 9.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.296 7.665 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.924 4.943 8.714 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.552 5.174 10.439 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.724 4.645 9.317 1.00 0.00 H new ATOM 201 N PRO A 17 -3.605 7.076 9.453 1.00 0.00 N ATOM 202 CA PRO A 17 -4.900 6.439 9.197 1.00 0.00 C ATOM 203 C PRO A 17 -4.851 5.481 8.012 1.00 0.00 C ATOM 204 O PRO A 17 -3.855 5.422 7.289 1.00 0.00 O ATOM 205 CB PRO A 17 -5.822 7.622 8.890 1.00 0.00 C ATOM 206 CG PRO A 17 -4.914 8.690 8.387 1.00 0.00 C ATOM 207 CD PRO A 17 -3.616 8.512 9.125 1.00 0.00 C ATOM 0 HA PRO A 17 -5.229 5.831 10.040 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.572 7.356 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.359 7.947 9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.766 8.601 7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.335 9.679 8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.761 8.790 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.576 9.130 10.022 1.00 0.00 H new ATOM 215 N CYS A 18 -5.931 4.732 7.817 1.00 0.00 N ATOM 216 CA CYS A 18 -6.011 3.776 6.719 1.00 0.00 C ATOM 217 C CYS A 18 -6.503 4.453 5.443 1.00 0.00 C ATOM 218 O CYS A 18 -7.130 5.512 5.491 1.00 0.00 O ATOM 219 CB CYS A 18 -6.943 2.620 7.089 1.00 0.00 C ATOM 220 SG CYS A 18 -6.934 1.246 5.893 1.00 0.00 S ATOM 0 H CYS A 18 -6.763 4.769 8.405 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.010 3.383 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.658 2.237 8.069 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.960 3.002 7.180 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.787 0.636 5.942 1.00 0.00 H new ATOM 225 N LEU A 19 -6.215 3.834 4.303 1.00 0.00 N ATOM 226 CA LEU A 19 -6.629 4.376 3.013 1.00 0.00 C ATOM 227 C LEU A 19 -8.090 4.046 2.727 1.00 0.00 C ATOM 228 O LEU A 19 -8.862 4.909 2.309 1.00 0.00 O ATOM 229 CB LEU A 19 -5.741 3.822 1.898 1.00 0.00 C ATOM 230 CG LEU A 19 -4.232 3.923 2.127 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.903 5.136 2.983 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.705 2.651 2.775 1.00 0.00 C ATOM 0 H LEU A 19 -5.697 2.957 4.246 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.522 5.460 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.996 2.773 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.984 4.346 0.974 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.744 4.043 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.825 5.192 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.246 6.040 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.402 5.046 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.630 2.740 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.199 2.500 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.908 1.800 2.125 1.00 0.00 H new ATOM 244 N PHE A 20 -8.464 2.791 2.957 1.00 0.00 N ATOM 245 CA PHE A 20 -9.833 2.347 2.726 1.00 0.00 C ATOM 246 C PHE A 20 -10.742 2.760 3.880 1.00 0.00 C ATOM 247 O PHE A 20 -11.841 3.272 3.668 1.00 0.00 O ATOM 248 CB PHE A 20 -9.876 0.828 2.546 1.00 0.00 C ATOM 249 CG PHE A 20 -8.985 0.330 1.444 1.00 0.00 C ATOM 250 CD1 PHE A 20 -7.656 0.028 1.693 1.00 0.00 C ATOM 251 CD2 PHE A 20 -9.476 0.164 0.159 1.00 0.00 C ATOM 252 CE1 PHE A 20 -6.833 -0.431 0.682 1.00 0.00 C ATOM 253 CE2 PHE A 20 -8.659 -0.296 -0.856 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.335 -0.592 -0.595 1.00 0.00 C ATOM 0 H PHE A 20 -7.838 2.064 3.303 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.194 2.824 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.585 0.351 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.902 0.523 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.258 0.153 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.509 0.397 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.799 -0.663 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.055 -0.424 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.694 -0.948 -1.388 1.00 0.00 H new ATOM 264 N CYS A 21 -10.275 2.531 5.103 1.00 0.00 N ATOM 265 CA CYS A 21 -11.043 2.877 6.293 1.00 0.00 C ATOM 266 C CYS A 21 -10.371 4.009 7.065 1.00 0.00 C ATOM 267 O CYS A 21 -9.375 4.575 6.615 1.00 0.00 O ATOM 268 CB CYS A 21 -11.202 1.653 7.196 1.00 0.00 C ATOM 269 SG CYS A 21 -9.664 1.133 8.022 1.00 0.00 S ATOM 0 H CYS A 21 -9.368 2.107 5.296 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.029 3.215 5.973 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.954 1.870 7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.581 0.822 6.600 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.718 1.009 7.139 1.00 0.00 H new ATOM 274 N ASP A 22 -10.922 4.332 8.229 1.00 0.00 N ATOM 275 CA ASP A 22 -10.376 5.395 9.065 1.00 0.00 C ATOM 276 C ASP A 22 -9.683 4.817 10.295 1.00 0.00 C ATOM 277 O ASP A 22 -9.859 5.311 11.409 1.00 0.00 O ATOM 278 CB ASP A 22 -11.485 6.356 9.494 1.00 0.00 C ATOM 279 CG ASP A 22 -12.498 5.700 10.412 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.262 5.679 11.638 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.527 5.208 9.904 1.00 0.00 O ATOM 0 H ASP A 22 -11.747 3.873 8.616 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.638 5.943 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.042 7.214 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.994 6.736 8.609 1.00 0.00 H new ATOM 286 N ARG A 23 -8.896 3.766 10.086 1.00 0.00 N ATOM 287 CA ARG A 23 -8.178 3.119 11.178 1.00 0.00 C ATOM 288 C ARG A 23 -6.812 3.765 11.389 1.00 0.00 C ATOM 289 O ARG A 23 -6.023 3.895 10.452 1.00 0.00 O ATOM 290 CB ARG A 23 -8.010 1.626 10.891 1.00 0.00 C ATOM 291 CG ARG A 23 -9.212 0.789 11.295 1.00 0.00 C ATOM 292 CD ARG A 23 -8.907 -0.699 11.218 1.00 0.00 C ATOM 293 NE ARG A 23 -8.398 -1.220 12.484 1.00 0.00 N ATOM 294 CZ ARG A 23 -8.432 -2.505 12.816 1.00 0.00 C ATOM 295 NH1 ARG A 23 -8.947 -3.396 11.980 1.00 0.00 N ATOM 296 NH2 ARG A 23 -7.949 -2.902 13.987 1.00 0.00 N ATOM 0 H ARG A 23 -8.740 3.345 9.170 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.763 3.243 12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.824 1.488 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.129 1.260 11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.512 1.048 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.055 1.023 10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.811 -1.240 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.174 -0.879 10.431 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.994 -0.561 13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.318 -3.095 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.972 -4.383 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.551 -2.220 14.632 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.976 -3.889 14.241 1.00 0.00 H new ATOM 310 N LEU A 24 -6.539 4.170 12.624 1.00 0.00 N ATOM 311 CA LEU A 24 -5.268 4.803 12.959 1.00 0.00 C ATOM 312 C LEU A 24 -4.229 3.761 13.359 1.00 0.00 C ATOM 313 O LEU A 24 -4.536 2.805 14.073 1.00 0.00 O ATOM 314 CB LEU A 24 -5.461 5.810 14.095 1.00 0.00 C ATOM 315 CG LEU A 24 -6.158 7.118 13.720 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.463 7.936 14.966 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.301 7.920 12.750 1.00 0.00 C ATOM 0 H LEU A 24 -7.181 4.071 13.411 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.907 5.327 12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.036 5.329 14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.483 6.049 14.512 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.100 6.878 13.228 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.959 8.864 14.680 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.115 7.364 15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.533 8.167 15.486 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.813 8.848 12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.343 8.151 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.133 7.337 11.845 1.00 0.00 H new ATOM 329 N PHE A 25 -2.998 3.952 12.897 1.00 0.00 N ATOM 330 CA PHE A 25 -1.913 3.029 13.207 1.00 0.00 C ATOM 331 C PHE A 25 -0.625 3.787 13.515 1.00 0.00 C ATOM 332 O PHE A 25 -0.259 4.723 12.805 1.00 0.00 O ATOM 333 CB PHE A 25 -1.684 2.066 12.041 1.00 0.00 C ATOM 334 CG PHE A 25 -2.911 1.289 11.655 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.870 1.849 10.828 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.104 -0.002 12.120 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.000 1.137 10.473 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.231 -0.720 11.768 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.180 -0.150 10.942 1.00 0.00 C ATOM 0 H PHE A 25 -2.727 4.738 12.306 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.198 2.457 14.090 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.335 2.631 11.177 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.890 1.368 12.307 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.733 2.854 10.456 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.365 -0.453 12.765 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.742 1.586 9.829 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.370 -1.725 12.138 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.061 -0.709 10.663 1.00 0.00 H new ATOM 349 N ALA A 26 0.056 3.377 14.580 1.00 0.00 N ATOM 350 CA ALA A 26 1.303 4.016 14.981 1.00 0.00 C ATOM 351 C ALA A 26 2.295 4.061 13.824 1.00 0.00 C ATOM 352 O ALA A 26 2.909 5.095 13.560 1.00 0.00 O ATOM 353 CB ALA A 26 1.910 3.287 16.171 1.00 0.00 C ATOM 0 H ALA A 26 -0.235 2.605 15.180 1.00 0.00 H new ATOM 0 HA ALA A 26 1.079 5.042 15.272 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.841 3.775 16.460 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.212 3.312 17.008 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.112 2.251 15.899 1.00 0.00 H new ATOM 359 N SER A 27 2.446 2.934 13.136 1.00 0.00 N ATOM 360 CA SER A 27 3.367 2.844 12.009 1.00 0.00 C ATOM 361 C SER A 27 2.626 2.464 10.731 1.00 0.00 C ATOM 362 O SER A 27 1.565 1.841 10.777 1.00 0.00 O ATOM 363 CB SER A 27 4.465 1.819 12.300 1.00 0.00 C ATOM 364 OG SER A 27 5.090 2.081 13.545 1.00 0.00 O ATOM 0 H SER A 27 1.942 2.071 13.339 1.00 0.00 H new ATOM 0 HA SER A 27 3.824 3.823 11.866 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.038 0.816 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.209 1.842 11.504 1.00 0.00 H new ATOM 0 HG SER A 27 5.787 1.411 13.709 1.00 0.00 H new ATOM 370 N ALA A 28 3.193 2.843 9.590 1.00 0.00 N ATOM 371 CA ALA A 28 2.588 2.540 8.299 1.00 0.00 C ATOM 372 C ALA A 28 2.417 1.036 8.112 1.00 0.00 C ATOM 373 O ALA A 28 1.348 0.568 7.723 1.00 0.00 O ATOM 374 CB ALA A 28 3.430 3.122 7.173 1.00 0.00 C ATOM 0 H ALA A 28 4.070 3.360 9.534 1.00 0.00 H new ATOM 0 HA ALA A 28 1.599 2.997 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.967 2.888 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.496 4.204 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.431 2.691 7.207 1.00 0.00 H new ATOM 380 N GLU A 29 3.479 0.286 8.389 1.00 0.00 N ATOM 381 CA GLU A 29 3.445 -1.165 8.249 1.00 0.00 C ATOM 382 C GLU A 29 2.186 -1.744 8.889 1.00 0.00 C ATOM 383 O GLU A 29 1.469 -2.530 8.270 1.00 0.00 O ATOM 384 CB GLU A 29 4.688 -1.791 8.887 1.00 0.00 C ATOM 385 CG GLU A 29 5.967 -1.530 8.109 1.00 0.00 C ATOM 386 CD GLU A 29 7.037 -2.570 8.381 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.118 -3.050 9.531 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.791 -2.904 7.444 1.00 0.00 O ATOM 0 H GLU A 29 4.372 0.659 8.711 1.00 0.00 H new ATOM 0 HA GLU A 29 3.433 -1.401 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.802 -1.402 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.539 -2.867 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.743 -1.515 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.350 -0.543 8.368 1.00 0.00 H new ATOM 395 N GLU A 30 1.925 -1.350 10.131 1.00 0.00 N ATOM 396 CA GLU A 30 0.754 -1.832 10.854 1.00 0.00 C ATOM 397 C GLU A 30 -0.499 -1.732 9.989 1.00 0.00 C ATOM 398 O GLU A 30 -1.357 -2.615 10.013 1.00 0.00 O ATOM 399 CB GLU A 30 0.561 -1.033 12.145 1.00 0.00 C ATOM 400 CG GLU A 30 1.335 -1.590 13.328 1.00 0.00 C ATOM 401 CD GLU A 30 0.580 -2.685 14.055 1.00 0.00 C ATOM 402 OE1 GLU A 30 0.078 -3.608 13.381 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.493 -2.620 15.299 1.00 0.00 O ATOM 0 H GLU A 30 2.508 -0.699 10.657 1.00 0.00 H new ATOM 0 HA GLU A 30 0.919 -2.880 11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.869 -0.002 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.500 -1.011 12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.291 -1.982 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.557 -0.782 14.025 1.00 0.00 H new ATOM 410 N THR A 31 -0.598 -0.649 9.224 1.00 0.00 N ATOM 411 CA THR A 31 -1.745 -0.432 8.352 1.00 0.00 C ATOM 412 C THR A 31 -1.743 -1.414 7.185 1.00 0.00 C ATOM 413 O THR A 31 -2.659 -2.224 7.041 1.00 0.00 O ATOM 414 CB THR A 31 -1.766 1.005 7.799 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.441 1.935 8.838 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.132 1.342 7.219 1.00 0.00 C ATOM 0 H THR A 31 0.103 0.091 9.191 1.00 0.00 H new ATOM 0 HA THR A 31 -2.637 -0.594 8.957 1.00 0.00 H new ATOM 0 HB THR A 31 -1.024 1.075 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.180 1.980 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.123 2.362 6.835 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.364 0.651 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.890 1.255 7.998 1.00 0.00 H new ATOM 424 N PHE A 32 -0.708 -1.336 6.355 1.00 0.00 N ATOM 425 CA PHE A 32 -0.587 -2.219 5.200 1.00 0.00 C ATOM 426 C PHE A 32 -1.046 -3.632 5.545 1.00 0.00 C ATOM 427 O PHE A 32 -1.986 -4.155 4.946 1.00 0.00 O ATOM 428 CB PHE A 32 0.860 -2.247 4.704 1.00 0.00 C ATOM 429 CG PHE A 32 1.346 -0.920 4.197 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.564 -0.161 3.340 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.585 -0.429 4.577 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.009 1.060 2.872 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.036 0.792 4.112 1.00 0.00 C ATOM 434 CZ PHE A 32 2.246 1.538 3.260 1.00 0.00 C ATOM 0 H PHE A 32 0.058 -0.671 6.460 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.228 -1.832 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.508 -2.576 5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.948 -2.986 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.404 -0.529 3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.206 -1.008 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.391 1.641 2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.005 1.162 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.594 2.494 2.897 1.00 0.00 H new ATOM 444 N SER A 33 -0.376 -4.246 6.515 1.00 0.00 N ATOM 445 CA SER A 33 -0.711 -5.600 6.938 1.00 0.00 C ATOM 446 C SER A 33 -2.204 -5.725 7.230 1.00 0.00 C ATOM 447 O SER A 33 -2.852 -6.685 6.812 1.00 0.00 O ATOM 448 CB SER A 33 0.096 -5.985 8.179 1.00 0.00 C ATOM 449 OG SER A 33 0.161 -7.393 8.329 1.00 0.00 O ATOM 0 H SER A 33 0.403 -3.826 7.023 1.00 0.00 H new ATOM 0 HA SER A 33 -0.459 -6.280 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.104 -5.578 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.360 -5.542 9.065 1.00 0.00 H new ATOM 0 HG SER A 33 0.684 -7.613 9.128 1.00 0.00 H new ATOM 455 N HIS A 34 -2.743 -4.746 7.950 1.00 0.00 N ATOM 456 CA HIS A 34 -4.159 -4.744 8.298 1.00 0.00 C ATOM 457 C HIS A 34 -5.027 -4.821 7.046 1.00 0.00 C ATOM 458 O HIS A 34 -6.017 -5.553 7.009 1.00 0.00 O ATOM 459 CB HIS A 34 -4.508 -3.488 9.098 1.00 0.00 C ATOM 460 CG HIS A 34 -5.897 -2.986 8.848 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.024 -3.621 9.324 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.337 -1.900 8.169 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.097 -2.950 8.947 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.708 -1.901 8.246 1.00 0.00 N ATOM 0 H HIS A 34 -2.221 -3.944 8.303 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.358 -5.623 8.911 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.393 -3.700 10.161 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.796 -2.700 8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.724 -1.170 7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.119 -3.214 9.174 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.326 -1.204 7.829 1.00 0.00 H new ATOM 472 N CYS A 35 -4.649 -4.062 6.023 1.00 0.00 N ATOM 473 CA CYS A 35 -5.394 -4.043 4.769 1.00 0.00 C ATOM 474 C CYS A 35 -5.266 -5.377 4.040 1.00 0.00 C ATOM 475 O CYS A 35 -6.184 -5.806 3.341 1.00 0.00 O ATOM 476 CB CYS A 35 -4.896 -2.909 3.873 1.00 0.00 C ATOM 477 SG CYS A 35 -4.995 -1.271 4.631 1.00 0.00 S ATOM 0 H CYS A 35 -3.832 -3.452 6.037 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.446 -3.877 5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.861 -3.107 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.478 -2.907 2.951 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.199 -1.219 5.658 1.00 0.00 H new ATOM 483 N LYS A 36 -4.120 -6.029 4.208 1.00 0.00 N ATOM 484 CA LYS A 36 -3.870 -7.314 3.566 1.00 0.00 C ATOM 485 C LYS A 36 -4.704 -8.416 4.212 1.00 0.00 C ATOM 486 O LYS A 36 -4.930 -9.469 3.613 1.00 0.00 O ATOM 487 CB LYS A 36 -2.384 -7.669 3.652 1.00 0.00 C ATOM 488 CG LYS A 36 -1.554 -7.091 2.519 1.00 0.00 C ATOM 489 CD LYS A 36 -0.072 -7.357 2.721 1.00 0.00 C ATOM 490 CE LYS A 36 0.781 -6.254 2.113 1.00 0.00 C ATOM 491 NZ LYS A 36 0.574 -4.950 2.802 1.00 0.00 N ATOM 0 H LYS A 36 -3.350 -5.688 4.783 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.158 -7.231 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.988 -7.310 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.278 -8.754 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.877 -7.525 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.726 -6.017 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.142 -7.438 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.192 -8.313 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.833 -6.534 2.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.539 -6.149 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.478 -4.439 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.114 -4.381 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.213 -5.118 3.763 1.00 0.00 H new ATOM 505 N LEU A 37 -5.161 -8.167 5.434 1.00 0.00 N ATOM 506 CA LEU A 37 -5.973 -9.137 6.160 1.00 0.00 C ATOM 507 C LEU A 37 -7.458 -8.825 6.011 1.00 0.00 C ATOM 508 O LEU A 37 -8.256 -9.702 5.681 1.00 0.00 O ATOM 509 CB LEU A 37 -5.588 -9.147 7.640 1.00 0.00 C ATOM 510 CG LEU A 37 -4.101 -9.322 7.946 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.744 -8.652 9.264 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.733 -10.798 7.980 1.00 0.00 C ATOM 0 H LEU A 37 -4.983 -7.301 5.943 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.784 -10.123 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.923 -8.211 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.137 -9.950 8.132 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.528 -8.843 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.681 -8.787 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.969 -7.587 9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.325 -9.101 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.670 -10.903 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.314 -11.300 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.950 -11.250 7.012 1.00 0.00 H new ATOM 524 N GLU A 38 -7.821 -7.569 6.254 1.00 0.00 N ATOM 525 CA GLU A 38 -9.211 -7.142 6.145 1.00 0.00 C ATOM 526 C GLU A 38 -9.566 -6.807 4.699 1.00 0.00 C ATOM 527 O GLU A 38 -10.363 -7.501 4.067 1.00 0.00 O ATOM 528 CB GLU A 38 -9.466 -5.926 7.039 1.00 0.00 C ATOM 529 CG GLU A 38 -9.241 -6.199 8.516 1.00 0.00 C ATOM 530 CD GLU A 38 -10.429 -6.878 9.171 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.450 -6.198 9.400 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.336 -8.091 9.455 1.00 0.00 O ATOM 0 H GLU A 38 -7.173 -6.831 6.527 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.844 -7.966 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.813 -5.112 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.492 -5.587 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.357 -6.826 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.036 -5.259 9.028 1.00 0.00 H new ATOM 539 N HIS A 39 -8.969 -5.738 4.182 1.00 0.00 N ATOM 540 CA HIS A 39 -9.221 -5.310 2.810 1.00 0.00 C ATOM 541 C HIS A 39 -8.516 -6.229 1.816 1.00 0.00 C ATOM 542 O HIS A 39 -8.558 -5.999 0.608 1.00 0.00 O ATOM 543 CB HIS A 39 -8.754 -3.868 2.610 1.00 0.00 C ATOM 544 CG HIS A 39 -9.341 -2.906 3.595 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.658 -2.953 4.000 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.782 -1.867 4.260 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.885 -1.984 4.870 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.762 -1.311 5.045 1.00 0.00 N ATOM 0 H HIS A 39 -8.308 -5.152 4.692 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.295 -5.365 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.667 -3.833 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.015 -3.547 1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.756 -1.537 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.828 -1.778 5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.642 -0.508 5.663 1.00 0.00 H new ATOM 556 N GLN A 40 -7.869 -7.268 2.334 1.00 0.00 N ATOM 557 CA GLN A 40 -7.154 -8.219 1.492 1.00 0.00 C ATOM 558 C GLN A 40 -6.471 -7.509 0.328 1.00 0.00 C ATOM 559 O GLN A 40 -6.482 -7.996 -0.803 1.00 0.00 O ATOM 560 CB GLN A 40 -8.114 -9.285 0.962 1.00 0.00 C ATOM 561 CG GLN A 40 -9.257 -8.717 0.136 1.00 0.00 C ATOM 562 CD GLN A 40 -10.306 -9.758 -0.204 1.00 0.00 C ATOM 563 OE1 GLN A 40 -10.151 -10.938 0.113 1.00 0.00 O ATOM 564 NE2 GLN A 40 -11.382 -9.326 -0.851 1.00 0.00 N ATOM 0 H GLN A 40 -7.825 -7.472 3.332 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.388 -8.700 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.555 -9.995 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.526 -9.842 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.726 -7.900 0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.858 -8.294 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.469 -8.339 -1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.122 -9.981 -1.105 1.00 0.00 H new ATOM 573 N PHE A 41 -5.876 -6.355 0.612 1.00 0.00 N ATOM 574 CA PHE A 41 -5.189 -5.576 -0.412 1.00 0.00 C ATOM 575 C PHE A 41 -3.722 -5.372 -0.046 1.00 0.00 C ATOM 576 O PHE A 41 -3.403 -4.897 1.043 1.00 0.00 O ATOM 577 CB PHE A 41 -5.874 -4.221 -0.598 1.00 0.00 C ATOM 578 CG PHE A 41 -4.967 -3.164 -1.161 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.769 -3.060 -2.529 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.314 -2.274 -0.324 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.935 -2.089 -3.050 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.479 -1.300 -0.839 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.291 -1.207 -2.204 1.00 0.00 C ATOM 0 H PHE A 41 -5.856 -5.939 1.543 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.238 -6.131 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.731 -4.344 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.260 -3.883 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.272 -3.745 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.459 -2.342 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.787 -2.020 -4.118 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.975 -0.613 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.641 -0.446 -2.610 1.00 0.00 H new ATOM 593 N ASN A 42 -2.833 -5.735 -0.965 1.00 0.00 N ATOM 594 CA ASN A 42 -1.399 -5.593 -0.739 1.00 0.00 C ATOM 595 C ASN A 42 -0.870 -4.318 -1.389 1.00 0.00 C ATOM 596 O ASN A 42 -1.155 -4.039 -2.554 1.00 0.00 O ATOM 597 CB ASN A 42 -0.652 -6.809 -1.292 1.00 0.00 C ATOM 598 CG ASN A 42 -1.450 -8.090 -1.153 1.00 0.00 C ATOM 599 OD1 ASN A 42 -1.111 -8.893 -0.151 1.00 0.00 O flip ATOM 600 ND2 ASN A 42 -2.361 -8.355 -1.937 1.00 0.00 N flip ATOM 0 H ASN A 42 -3.080 -6.129 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.230 -5.529 0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.419 -6.642 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.298 -6.917 -0.769 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.587 -7.709 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.890 -9.221 -1.831 1.00 0.00 H new ATOM 607 N ILE A 43 -0.097 -3.550 -0.629 1.00 0.00 N ATOM 608 CA ILE A 43 0.473 -2.306 -1.131 1.00 0.00 C ATOM 609 C ILE A 43 1.710 -2.573 -1.982 1.00 0.00 C ATOM 610 O ILE A 43 1.888 -1.972 -3.042 1.00 0.00 O ATOM 611 CB ILE A 43 0.851 -1.355 0.020 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.289 0.003 -0.534 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.955 -1.966 0.871 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.156 0.800 -1.142 1.00 0.00 C ATOM 0 H ILE A 43 0.149 -3.767 0.337 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.293 -1.833 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.026 -1.204 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.742 0.585 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.059 -0.153 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.211 -1.282 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.610 -2.911 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.835 -2.143 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.538 1.750 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.283 0.238 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.605 0.987 -0.384 1.00 0.00 H new ATOM 626 N ASP A 44 2.561 -3.479 -1.513 1.00 0.00 N ATOM 627 CA ASP A 44 3.780 -3.828 -2.232 1.00 0.00 C ATOM 628 C ASP A 44 3.465 -4.248 -3.664 1.00 0.00 C ATOM 629 O ASP A 44 4.083 -3.765 -4.613 1.00 0.00 O ATOM 630 CB ASP A 44 4.519 -4.955 -1.508 1.00 0.00 C ATOM 631 CG ASP A 44 5.720 -5.453 -2.288 1.00 0.00 C ATOM 632 OD1 ASP A 44 6.669 -4.664 -2.484 1.00 0.00 O ATOM 633 OD2 ASP A 44 5.712 -6.631 -2.703 1.00 0.00 O ATOM 0 H ASP A 44 2.429 -3.985 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 44 4.419 -2.946 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.845 -4.602 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.832 -5.784 -1.335 1.00 0.00 H new ATOM 638 N SER A 45 2.500 -5.150 -3.813 1.00 0.00 N ATOM 639 CA SER A 45 2.105 -5.638 -5.129 1.00 0.00 C ATOM 640 C SER A 45 1.855 -4.477 -6.086 1.00 0.00 C ATOM 641 O SER A 45 2.298 -4.498 -7.234 1.00 0.00 O ATOM 642 CB SER A 45 0.849 -6.504 -5.020 1.00 0.00 C ATOM 643 OG SER A 45 1.094 -7.662 -4.240 1.00 0.00 O ATOM 0 H SER A 45 1.977 -5.558 -3.038 1.00 0.00 H new ATOM 0 HA SER A 45 2.921 -6.243 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.042 -5.924 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.517 -6.796 -6.016 1.00 0.00 H new ATOM 0 HG SER A 45 0.275 -8.198 -4.184 1.00 0.00 H new ATOM 649 N MET A 46 1.140 -3.465 -5.605 1.00 0.00 N ATOM 650 CA MET A 46 0.830 -2.294 -6.417 1.00 0.00 C ATOM 651 C MET A 46 2.107 -1.627 -6.917 1.00 0.00 C ATOM 652 O MET A 46 2.223 -1.290 -8.096 1.00 0.00 O ATOM 653 CB MET A 46 -0.001 -1.294 -5.612 1.00 0.00 C ATOM 654 CG MET A 46 -1.336 -1.850 -5.144 1.00 0.00 C ATOM 655 SD MET A 46 -2.460 -2.198 -6.511 1.00 0.00 S ATOM 656 CE MET A 46 -2.609 -0.572 -7.249 1.00 0.00 C ATOM 0 H MET A 46 0.765 -3.432 -4.657 1.00 0.00 H new ATOM 0 HA MET A 46 0.251 -2.623 -7.280 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.574 -0.973 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.179 -0.408 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.166 -2.765 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.805 -1.137 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.538 -0.514 -7.816 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.615 0.185 -6.464 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.765 -0.397 -7.916 1.00 0.00 H new ATOM 666 N VAL A 47 3.064 -1.438 -6.014 1.00 0.00 N ATOM 667 CA VAL A 47 4.333 -0.811 -6.364 1.00 0.00 C ATOM 668 C VAL A 47 5.072 -1.620 -7.424 1.00 0.00 C ATOM 669 O VAL A 47 5.652 -1.060 -8.355 1.00 0.00 O ATOM 670 CB VAL A 47 5.241 -0.654 -5.129 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.567 -0.018 -5.518 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.542 0.167 -4.056 1.00 0.00 C ATOM 0 H VAL A 47 2.984 -1.710 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 47 4.099 0.176 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 47 5.446 -1.644 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.195 0.085 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.072 -0.648 -6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.386 0.966 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.197 0.268 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.306 1.155 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.621 -0.334 -3.757 1.00 0.00 H new ATOM 682 N HIS A 48 5.046 -2.941 -7.278 1.00 0.00 N ATOM 683 CA HIS A 48 5.712 -3.828 -8.224 1.00 0.00 C ATOM 684 C HIS A 48 4.989 -3.832 -9.568 1.00 0.00 C ATOM 685 O HIS A 48 5.620 -3.843 -10.625 1.00 0.00 O ATOM 686 CB HIS A 48 5.779 -5.249 -7.664 1.00 0.00 C ATOM 687 CG HIS A 48 6.996 -5.508 -6.830 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.264 -5.611 -7.362 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.134 -5.683 -5.495 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.129 -5.840 -6.390 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.469 -5.888 -5.247 1.00 0.00 N ATOM 0 H HIS A 48 4.571 -3.420 -6.513 1.00 0.00 H new ATOM 0 HA HIS A 48 6.726 -3.458 -8.378 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.890 -5.436 -7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.758 -5.958 -8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.342 -5.665 -4.761 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.195 -5.966 -6.510 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.883 -6.051 -4.329 1.00 0.00 H new ATOM 699 N LYS A 49 3.661 -3.823 -9.519 1.00 0.00 N ATOM 700 CA LYS A 49 2.851 -3.824 -10.731 1.00 0.00 C ATOM 701 C LYS A 49 3.000 -2.508 -11.487 1.00 0.00 C ATOM 702 O LYS A 49 3.486 -2.482 -12.618 1.00 0.00 O ATOM 703 CB LYS A 49 1.379 -4.062 -10.385 1.00 0.00 C ATOM 704 CG LYS A 49 0.610 -4.799 -11.468 1.00 0.00 C ATOM 705 CD LYS A 49 0.225 -3.871 -12.608 1.00 0.00 C ATOM 706 CE LYS A 49 -1.068 -3.127 -12.309 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.607 -2.443 -13.517 1.00 0.00 N ATOM 0 H LYS A 49 3.123 -3.815 -8.652 1.00 0.00 H new ATOM 0 HA LYS A 49 3.203 -4.632 -11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.320 -4.632 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.898 -3.101 -10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.217 -5.618 -11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.289 -5.243 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.027 -3.154 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.110 -4.448 -13.525 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.810 -3.828 -11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.891 -2.392 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.646 -2.425 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.245 -1.469 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.307 -2.957 -14.370 1.00 0.00 H new ATOM 721 N HIS A 50 2.580 -1.417 -10.855 1.00 0.00 N ATOM 722 CA HIS A 50 2.669 -0.096 -11.468 1.00 0.00 C ATOM 723 C HIS A 50 4.058 0.503 -11.268 1.00 0.00 C ATOM 724 O HIS A 50 4.240 1.717 -11.355 1.00 0.00 O ATOM 725 CB HIS A 50 1.609 0.835 -10.879 1.00 0.00 C ATOM 726 CG HIS A 50 0.217 0.524 -11.337 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.796 -0.122 -10.713 1.00 0.00 N flip ATOM 728 CD2 HIS A 50 -0.266 0.886 -12.576 1.00 0.00 C flip ATOM 729 CE1 HIS A 50 -1.863 -0.136 -11.577 1.00 0.00 C flip ATOM 730 NE2 HIS A 50 -1.517 0.479 -12.694 1.00 0.00 N flip ATOM 0 H HIS A 50 2.175 -1.421 -9.919 1.00 0.00 H new ATOM 0 HA HIS A 50 2.491 -0.206 -12.538 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.647 0.773 -9.791 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.850 1.863 -11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.291 1.419 -13.332 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.828 -0.578 -11.376 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.115 0.616 -13.509 1.00 0.00 H new ATOM 738 N GLY A 51 5.035 -0.357 -10.998 1.00 0.00 N ATOM 739 CA GLY A 51 6.395 0.106 -10.789 1.00 0.00 C ATOM 740 C GLY A 51 6.448 1.443 -10.075 1.00 0.00 C ATOM 741 O GLY A 51 7.280 2.293 -10.396 1.00 0.00 O ATOM 0 H GLY A 51 4.909 -1.366 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.943 -0.635 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.899 0.191 -11.752 1.00 0.00 H new ATOM 745 N LEU A 52 5.558 1.630 -9.107 1.00 0.00 N ATOM 746 CA LEU A 52 5.506 2.874 -8.347 1.00 0.00 C ATOM 747 C LEU A 52 6.889 3.254 -7.828 1.00 0.00 C ATOM 748 O LEU A 52 7.585 2.433 -7.232 1.00 0.00 O ATOM 749 CB LEU A 52 4.529 2.740 -7.177 1.00 0.00 C ATOM 750 CG LEU A 52 3.098 2.342 -7.541 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.291 2.047 -6.286 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.432 3.438 -8.360 1.00 0.00 C ATOM 0 H LEU A 52 4.863 0.937 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 52 5.159 3.663 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.925 2.000 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.497 3.691 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 52 3.135 1.436 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.275 1.766 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.757 1.228 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.261 2.935 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.414 3.138 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.406 4.361 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.998 3.602 -9.277 1.00 0.00 H new ATOM 764 N GLU A 53 7.279 4.504 -8.057 1.00 0.00 N ATOM 765 CA GLU A 53 8.579 4.992 -7.611 1.00 0.00 C ATOM 766 C GLU A 53 8.434 5.871 -6.372 1.00 0.00 C ATOM 767 O GLU A 53 7.330 6.077 -5.869 1.00 0.00 O ATOM 768 CB GLU A 53 9.266 5.777 -8.730 1.00 0.00 C ATOM 769 CG GLU A 53 9.698 4.913 -9.903 1.00 0.00 C ATOM 770 CD GLU A 53 11.034 4.235 -9.666 1.00 0.00 C ATOM 771 OE1 GLU A 53 11.839 4.770 -8.875 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.274 3.169 -10.270 1.00 0.00 O ATOM 0 H GLU A 53 6.714 5.197 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 53 9.193 4.129 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.587 6.550 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.140 6.285 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.938 4.155 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.761 5.529 -10.800 1.00 0.00 H new ATOM 779 N PHE A 54 9.558 6.388 -5.886 1.00 0.00 N ATOM 780 CA PHE A 54 9.557 7.244 -4.706 1.00 0.00 C ATOM 781 C PHE A 54 8.290 8.092 -4.649 1.00 0.00 C ATOM 782 O PHE A 54 7.564 8.078 -3.655 1.00 0.00 O ATOM 783 CB PHE A 54 10.791 8.150 -4.706 1.00 0.00 C ATOM 784 CG PHE A 54 10.727 9.250 -3.685 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.037 10.421 -3.951 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.358 9.112 -2.459 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.978 11.435 -3.013 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.302 10.122 -1.517 1.00 0.00 C ATOM 789 CZ PHE A 54 10.610 11.284 -1.794 1.00 0.00 C ATOM 0 H PHE A 54 10.480 6.229 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 54 9.584 6.604 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.677 7.543 -4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.909 8.590 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.539 10.543 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.900 8.205 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.438 12.344 -3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.799 10.002 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.563 12.074 -1.059 1.00 0.00 H new ATOM 799 N TYR A 55 8.031 8.830 -5.723 1.00 0.00 N ATOM 800 CA TYR A 55 6.853 9.687 -5.796 1.00 0.00 C ATOM 801 C TYR A 55 5.625 8.889 -6.221 1.00 0.00 C ATOM 802 O TYR A 55 4.566 8.978 -5.600 1.00 0.00 O ATOM 803 CB TYR A 55 7.093 10.837 -6.775 1.00 0.00 C ATOM 804 CG TYR A 55 7.804 12.020 -6.157 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.193 12.785 -5.171 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.086 12.372 -6.559 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.838 13.867 -4.605 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.740 13.452 -5.997 1.00 0.00 C ATOM 809 CZ TYR A 55 9.111 14.197 -5.021 1.00 0.00 C ATOM 810 OH TYR A 55 9.758 15.273 -4.458 1.00 0.00 O ATOM 0 H TYR A 55 8.621 8.852 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 55 6.671 10.097 -4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.680 10.470 -7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.135 11.168 -7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.197 12.529 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.580 11.792 -7.324 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.348 14.452 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.737 13.711 -6.320 1.00 0.00 H new ATOM 0 HH TYR A 55 10.646 15.368 -4.861 1.00 0.00 H new ATOM 820 N GLY A 56 5.774 8.107 -7.287 1.00 0.00 N ATOM 821 CA GLY A 56 4.670 7.304 -7.778 1.00 0.00 C ATOM 822 C GLY A 56 3.864 6.679 -6.657 1.00 0.00 C ATOM 823 O GLY A 56 2.639 6.798 -6.624 1.00 0.00 O ATOM 0 H GLY A 56 6.640 8.016 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.016 7.926 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.057 6.517 -8.425 1.00 0.00 H new ATOM 827 N TYR A 57 4.551 6.010 -5.739 1.00 0.00 N ATOM 828 CA TYR A 57 3.890 5.360 -4.613 1.00 0.00 C ATOM 829 C TYR A 57 3.026 6.352 -3.841 1.00 0.00 C ATOM 830 O TYR A 57 1.889 6.052 -3.479 1.00 0.00 O ATOM 831 CB TYR A 57 4.926 4.734 -3.679 1.00 0.00 C ATOM 832 CG TYR A 57 4.464 4.632 -2.243 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.620 3.606 -1.835 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.869 5.562 -1.294 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.194 3.509 -0.524 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.450 5.473 0.019 1.00 0.00 C ATOM 837 CZ TYR A 57 3.612 4.445 0.399 1.00 0.00 C ATOM 838 OH TYR A 57 3.191 4.353 1.706 1.00 0.00 O ATOM 0 H TYR A 57 5.565 5.903 -5.752 1.00 0.00 H new ATOM 0 HA TYR A 57 3.245 4.575 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.176 3.737 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.841 5.326 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.291 2.871 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.523 6.369 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.538 2.705 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.776 6.204 0.744 1.00 0.00 H new ATOM 0 HH TYR A 57 3.924 4.607 2.305 1.00 0.00 H new ATOM 848 N ILE A 58 3.576 7.537 -3.594 1.00 0.00 N ATOM 849 CA ILE A 58 2.856 8.575 -2.867 1.00 0.00 C ATOM 850 C ILE A 58 1.505 8.863 -3.513 1.00 0.00 C ATOM 851 O ILE A 58 0.491 8.993 -2.827 1.00 0.00 O ATOM 852 CB ILE A 58 3.669 9.881 -2.799 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.001 9.642 -2.085 1.00 0.00 C ATOM 854 CG2 ILE A 58 2.870 10.966 -2.091 1.00 0.00 C ATOM 855 CD1 ILE A 58 5.732 10.917 -1.727 1.00 0.00 C ATOM 0 H ILE A 58 4.517 7.801 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 58 2.699 8.201 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 58 3.878 10.215 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.819 9.070 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.641 9.032 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.458 11.883 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.945 11.152 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.634 10.641 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.667 10.671 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.946 11.481 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.111 11.519 -1.064 1.00 0.00 H new ATOM 867 N LYS A 59 1.498 8.960 -4.838 1.00 0.00 N ATOM 868 CA LYS A 59 0.272 9.230 -5.580 1.00 0.00 C ATOM 869 C LYS A 59 -0.779 8.161 -5.299 1.00 0.00 C ATOM 870 O LYS A 59 -1.970 8.460 -5.194 1.00 0.00 O ATOM 871 CB LYS A 59 0.563 9.293 -7.081 1.00 0.00 C ATOM 872 CG LYS A 59 1.535 10.394 -7.467 1.00 0.00 C ATOM 873 CD LYS A 59 1.621 10.559 -8.975 1.00 0.00 C ATOM 874 CE LYS A 59 2.866 11.333 -9.381 1.00 0.00 C ATOM 875 NZ LYS A 59 4.082 10.473 -9.367 1.00 0.00 N ATOM 0 H LYS A 59 2.329 8.856 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.118 10.194 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.967 8.334 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.374 9.442 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.219 11.334 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.523 10.164 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.631 9.578 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.734 11.079 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.726 11.748 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.008 12.174 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.909 11.037 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.230 10.097 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.957 9.684 -10.033 1.00 0.00 H new ATOM 889 N LEU A 60 -0.333 6.916 -5.178 1.00 0.00 N ATOM 890 CA LEU A 60 -1.236 5.802 -4.908 1.00 0.00 C ATOM 891 C LEU A 60 -1.896 5.956 -3.542 1.00 0.00 C ATOM 892 O LEU A 60 -3.100 5.743 -3.396 1.00 0.00 O ATOM 893 CB LEU A 60 -0.476 4.476 -4.973 1.00 0.00 C ATOM 894 CG LEU A 60 -1.279 3.224 -4.622 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.500 3.136 -3.120 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.610 3.220 -5.359 1.00 0.00 C ATOM 0 H LEU A 60 0.649 6.652 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.015 5.805 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.078 4.357 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.378 4.536 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.709 2.350 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.073 2.238 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.536 3.092 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.049 4.015 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.168 2.321 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.186 4.101 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.431 3.235 -6.434 1.00 0.00 H new ATOM 908 N ILE A 61 -1.101 6.330 -2.545 1.00 0.00 N ATOM 909 CA ILE A 61 -1.610 6.515 -1.191 1.00 0.00 C ATOM 910 C ILE A 61 -2.645 7.634 -1.142 1.00 0.00 C ATOM 911 O ILE A 61 -3.805 7.406 -0.801 1.00 0.00 O ATOM 912 CB ILE A 61 -0.474 6.838 -0.202 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.581 5.730 -0.225 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.030 7.018 1.202 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.061 4.390 0.246 1.00 0.00 C ATOM 0 H ILE A 61 -0.103 6.511 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.079 5.576 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.001 7.771 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.964 5.625 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.421 6.026 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.215 7.246 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.748 7.838 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.525 6.100 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.863 3.653 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.296 4.478 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.759 4.072 -0.397 1.00 0.00 H new ATOM 927 N ASN A 62 -2.217 8.844 -1.487 1.00 0.00 N ATOM 928 CA ASN A 62 -3.108 10.000 -1.483 1.00 0.00 C ATOM 929 C ASN A 62 -4.317 9.757 -2.381 1.00 0.00 C ATOM 930 O ASN A 62 -5.432 10.170 -2.063 1.00 0.00 O ATOM 931 CB ASN A 62 -2.357 11.250 -1.946 1.00 0.00 C ATOM 932 CG ASN A 62 -1.411 11.782 -0.886 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.704 11.725 0.308 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.270 12.303 -1.320 1.00 0.00 N ATOM 0 H ASN A 62 -1.260 9.050 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.460 10.153 -0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.793 11.018 -2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.076 12.026 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.406 12.677 -0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.069 12.329 -2.320 1.00 0.00 H new ATOM 941 N PHE A 63 -4.088 9.085 -3.504 1.00 0.00 N ATOM 942 CA PHE A 63 -5.158 8.787 -4.449 1.00 0.00 C ATOM 943 C PHE A 63 -6.360 8.178 -3.734 1.00 0.00 C ATOM 944 O PHE A 63 -7.505 8.551 -3.993 1.00 0.00 O ATOM 945 CB PHE A 63 -4.658 7.833 -5.535 1.00 0.00 C ATOM 946 CG PHE A 63 -5.763 7.189 -6.322 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.490 7.920 -7.247 1.00 0.00 C ATOM 948 CD2 PHE A 63 -6.074 5.851 -6.137 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.507 7.330 -7.973 1.00 0.00 C ATOM 950 CE2 PHE A 63 -7.090 5.256 -6.861 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.808 5.997 -7.779 1.00 0.00 C ATOM 0 H PHE A 63 -3.171 8.736 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.470 9.722 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.008 8.381 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.051 7.055 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.259 8.964 -7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.517 5.267 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.066 7.911 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.322 4.212 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.604 5.534 -8.344 1.00 0.00 H new ATOM 961 N ILE A 64 -6.092 7.237 -2.835 1.00 0.00 N ATOM 962 CA ILE A 64 -7.151 6.576 -2.083 1.00 0.00 C ATOM 963 C ILE A 64 -7.730 7.502 -1.019 1.00 0.00 C ATOM 964 O ILE A 64 -8.915 7.424 -0.692 1.00 0.00 O ATOM 965 CB ILE A 64 -6.642 5.290 -1.406 1.00 0.00 C ATOM 966 CG1 ILE A 64 -6.076 4.327 -2.451 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.762 4.627 -0.618 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.507 3.057 -1.858 1.00 0.00 C ATOM 0 H ILE A 64 -5.151 6.915 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.931 6.316 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.843 5.554 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.864 4.067 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.295 4.836 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.386 3.719 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.123 5.313 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.580 4.373 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.124 2.422 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.697 3.307 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.290 2.526 -1.316 1.00 0.00 H new ATOM 980 N ARG A 65 -6.888 8.380 -0.484 1.00 0.00 N ATOM 981 CA ARG A 65 -7.317 9.322 0.542 1.00 0.00 C ATOM 982 C ARG A 65 -8.309 10.332 -0.027 1.00 0.00 C ATOM 983 O ARG A 65 -9.210 10.796 0.674 1.00 0.00 O ATOM 984 CB ARG A 65 -6.108 10.054 1.130 1.00 0.00 C ATOM 985 CG ARG A 65 -5.012 9.123 1.621 1.00 0.00 C ATOM 986 CD ARG A 65 -5.385 8.474 2.945 1.00 0.00 C ATOM 987 NE ARG A 65 -4.209 8.178 3.759 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.272 7.643 4.974 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.447 7.346 5.511 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.157 7.404 5.653 1.00 0.00 N ATOM 0 H ARG A 65 -5.905 8.458 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.812 8.758 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.695 10.721 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.440 10.679 1.959 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.828 8.350 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.083 9.682 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.052 9.136 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.936 7.553 2.755 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.289 8.394 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.306 7.528 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.492 6.935 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.251 7.631 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.206 6.993 6.585 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.137 10.669 -1.300 1.00 0.00 N ATOM 1005 CA LEU A 66 -9.017 11.625 -1.964 1.00 0.00 C ATOM 1006 C LEU A 66 -10.190 10.913 -2.630 1.00 0.00 C ATOM 1007 O LEU A 66 -11.352 11.211 -2.350 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.237 12.429 -3.005 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.891 13.727 -3.479 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.833 14.753 -3.854 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.817 13.458 -4.657 1.00 0.00 C ATOM 0 H LEU A 66 -7.397 10.295 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.410 12.305 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.258 12.669 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.068 11.793 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.485 14.132 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.318 15.670 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.211 14.968 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.211 14.357 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.274 14.393 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.244 13.029 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.597 12.759 -4.355 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.880 9.968 -3.511 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.907 9.210 -4.215 1.00 0.00 C ATOM 1025 C LYS A 67 -11.656 8.289 -3.258 1.00 0.00 C ATOM 1026 O LYS A 67 -12.885 8.261 -3.243 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.280 8.389 -5.344 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.956 9.206 -6.583 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.213 9.580 -7.350 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.884 10.107 -8.738 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.079 10.693 -9.406 1.00 0.00 N ATOM 0 H LYS A 67 -8.924 9.709 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.618 9.918 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.366 7.922 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.962 7.584 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.423 10.111 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.289 8.637 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.861 8.708 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.768 10.336 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.102 10.863 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.487 9.297 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.814 11.041 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.816 9.965 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.443 11.483 -8.836 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.905 7.537 -2.459 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.499 6.615 -1.497 1.00 0.00 C ATOM 1047 C ASN A 68 -12.275 5.512 -2.209 1.00 0.00 C ATOM 1048 O ASN A 68 -13.430 5.227 -1.892 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.424 7.369 -0.540 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.694 7.880 0.687 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.481 9.082 0.841 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.308 6.965 1.569 1.00 0.00 N ATOM 0 H ASN A 68 -9.885 7.548 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.692 6.156 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.879 8.209 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.235 6.711 -0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.814 7.249 2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.506 5.979 1.400 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.627 4.874 -3.196 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.237 3.791 -3.973 1.00 0.00 C ATOM 1061 C PRO A 69 -12.430 2.523 -3.147 1.00 0.00 C ATOM 1062 O PRO A 69 -12.381 2.557 -1.917 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.226 3.548 -5.096 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.924 4.012 -4.542 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.249 5.161 -3.628 1.00 0.00 C ATOM 0 HA PRO A 69 -13.234 4.054 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.186 2.494 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.493 4.102 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.423 3.211 -3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.250 4.326 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.564 5.207 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.181 6.118 -4.146 1.00 0.00 H new ATOM 1073 N THR A 70 -12.650 1.405 -3.832 1.00 0.00 N ATOM 1074 CA THR A 70 -12.851 0.126 -3.162 1.00 0.00 C ATOM 1075 C THR A 70 -11.861 -0.919 -3.663 1.00 0.00 C ATOM 1076 O THR A 70 -11.512 -0.943 -4.843 1.00 0.00 O ATOM 1077 CB THR A 70 -14.284 -0.398 -3.372 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.502 -1.565 -2.570 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.530 -0.730 -4.836 1.00 0.00 C ATOM 0 H THR A 70 -12.693 1.359 -4.850 1.00 0.00 H new ATOM 0 HA THR A 70 -12.686 0.297 -2.098 1.00 0.00 H new ATOM 0 HB THR A 70 -14.981 0.385 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.416 -1.891 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.549 -1.098 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.392 0.167 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.826 -1.497 -5.159 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.412 -1.783 -2.759 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.463 -2.833 -3.110 1.00 0.00 C ATOM 1089 C VAL A 71 -10.705 -3.341 -4.526 1.00 0.00 C ATOM 1090 O VAL A 71 -9.773 -3.458 -5.321 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.548 -4.018 -2.129 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.607 -5.134 -2.556 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.237 -3.560 -0.712 1.00 0.00 C ATOM 0 H VAL A 71 -11.690 -1.777 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.468 -2.393 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.566 -4.408 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.681 -5.962 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.882 -5.480 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.583 -4.761 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.302 -4.410 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.230 -3.143 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.956 -2.798 -0.410 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.963 -3.642 -4.835 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.327 -4.138 -6.157 1.00 0.00 C ATOM 1105 C GLU A 72 -11.672 -3.300 -7.252 1.00 0.00 C ATOM 1106 O GLU A 72 -11.037 -3.835 -8.161 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.847 -4.125 -6.330 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.583 -4.966 -5.300 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.940 -5.434 -5.792 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.094 -5.626 -7.016 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.847 -5.609 -4.951 1.00 0.00 O ATOM 0 H GLU A 72 -12.746 -3.551 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.967 -5.163 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.203 -3.097 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.094 -4.489 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.975 -5.833 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.712 -4.385 -4.387 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.833 -1.985 -7.158 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.261 -1.073 -8.141 1.00 0.00 C ATOM 1120 C TYR A 73 -9.738 -1.166 -8.149 1.00 0.00 C ATOM 1121 O TYR A 73 -9.129 -1.470 -9.175 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.694 0.364 -7.847 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.225 1.361 -8.882 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.832 1.434 -10.130 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.177 2.232 -8.612 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.406 2.343 -11.079 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.746 3.146 -9.555 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.363 3.197 -10.787 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.938 4.105 -11.729 1.00 0.00 O ATOM 0 H TYR A 73 -12.355 -1.527 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.630 -1.362 -9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.782 0.401 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.309 0.658 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.651 0.769 -10.362 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.691 2.194 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.887 2.385 -12.045 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.930 3.817 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.182 5.010 -11.444 1.00 0.00 H new ATOM 1139 N MET A 74 -9.130 -0.903 -6.997 1.00 0.00 N ATOM 1140 CA MET A 74 -7.678 -0.958 -6.870 1.00 0.00 C ATOM 1141 C MET A 74 -7.115 -2.178 -7.592 1.00 0.00 C ATOM 1142 O MET A 74 -6.017 -2.132 -8.145 1.00 0.00 O ATOM 1143 CB MET A 74 -7.275 -0.993 -5.395 1.00 0.00 C ATOM 1144 CG MET A 74 -7.707 0.239 -4.617 1.00 0.00 C ATOM 1145 SD MET A 74 -7.346 1.775 -5.492 1.00 0.00 S ATOM 1146 CE MET A 74 -5.563 1.672 -5.632 1.00 0.00 C ATOM 0 H MET A 74 -9.620 -0.650 -6.139 1.00 0.00 H new ATOM 0 HA MET A 74 -7.264 -0.062 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.709 -1.877 -4.929 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.192 -1.095 -5.325 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.777 0.182 -4.418 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.203 0.249 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.162 2.649 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.141 1.359 -4.677 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.300 0.946 -6.401 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.875 -3.269 -7.583 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.451 -4.502 -8.237 1.00 0.00 C ATOM 1158 C ASN A 75 -7.406 -4.327 -9.751 1.00 0.00 C ATOM 1159 O ASN A 75 -6.436 -4.713 -10.403 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.397 -5.648 -7.872 1.00 0.00 C ATOM 1161 CG ASN A 75 -8.204 -6.126 -6.446 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -7.167 -5.877 -5.831 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -9.205 -6.817 -5.913 1.00 0.00 N ATOM 0 H ASN A 75 -8.787 -3.324 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.447 -4.743 -7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.428 -5.321 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.235 -6.481 -8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.132 -7.165 -4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.046 -7.000 -6.460 1.00 0.00 H new ATOM 1170 N SER A 76 -8.463 -3.741 -10.306 1.00 0.00 N ATOM 1171 CA SER A 76 -8.546 -3.518 -11.744 1.00 0.00 C ATOM 1172 C SER A 76 -8.088 -2.107 -12.102 1.00 0.00 C ATOM 1173 O SER A 76 -8.907 -1.219 -12.340 1.00 0.00 O ATOM 1174 CB SER A 76 -9.978 -3.741 -12.235 1.00 0.00 C ATOM 1175 OG SER A 76 -10.062 -3.606 -13.643 1.00 0.00 O ATOM 0 H SER A 76 -9.273 -3.412 -9.781 1.00 0.00 H new ATOM 0 HA SER A 76 -7.886 -4.232 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.316 -4.735 -11.941 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.645 -3.023 -11.757 1.00 0.00 H new ATOM 0 HG SER A 76 -10.987 -3.755 -13.931 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.775 -1.909 -12.138 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.208 -0.608 -12.468 1.00 0.00 C ATOM 1183 C ILE A 77 -5.221 -0.716 -13.626 1.00 0.00 C ATOM 1184 O ILE A 77 -4.428 -1.655 -13.694 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.492 0.018 -11.255 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.452 0.124 -10.068 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.935 1.386 -11.617 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.694 0.934 -10.366 1.00 0.00 C ATOM 0 H ILE A 77 -6.084 -2.633 -11.943 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.039 0.034 -12.761 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.661 -0.627 -10.969 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.747 -0.879 -9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.927 0.575 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.432 1.815 -10.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.223 1.284 -12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.750 2.041 -11.925 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.328 0.967 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.409 1.948 -10.646 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.242 0.472 -11.187 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.275 0.253 -14.533 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.387 0.268 -15.689 1.00 0.00 C ATOM 1202 C TYR A 78 -3.916 1.686 -15.997 1.00 0.00 C ATOM 1203 O TYR A 78 -4.348 2.647 -15.361 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.095 -0.323 -16.910 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.486 0.227 -17.128 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.562 -0.233 -16.378 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.725 1.208 -18.083 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.835 0.266 -16.575 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.994 1.714 -18.285 1.00 0.00 C ATOM 1210 CZ TYR A 78 -9.046 1.240 -17.529 1.00 0.00 C ATOM 1211 OH TYR A 78 -10.312 1.741 -17.727 1.00 0.00 O ATOM 0 H TYR A 78 -5.924 1.038 -14.490 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.515 -0.341 -15.453 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.493 -0.129 -17.798 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.155 -1.405 -16.796 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.400 -0.994 -15.628 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.904 1.581 -18.677 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.661 -0.104 -15.985 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.162 2.477 -19.031 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.288 2.420 -18.433 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.028 1.808 -16.978 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.497 3.108 -17.372 1.00 0.00 C ATOM 1223 C ASN A 79 -3.306 3.699 -18.522 1.00 0.00 C ATOM 1224 O ASN A 79 -3.720 3.000 -19.447 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.028 2.980 -17.779 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.864 2.527 -19.217 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.788 3.346 -20.133 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.810 1.216 -19.421 1.00 0.00 N ATOM 0 H ASN A 79 -2.661 1.022 -17.515 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.572 3.779 -16.516 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.532 3.941 -17.645 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.531 2.270 -17.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.701 0.851 -20.367 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.877 0.574 -18.631 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.538 5.019 -18.465 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.051 5.862 -17.369 1.00 0.00 C ATOM 1237 C PRO A 80 -3.774 5.579 -16.056 1.00 0.00 C ATOM 1238 O PRO A 80 -5.004 5.560 -16.004 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.354 7.282 -17.851 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.491 7.125 -18.802 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.292 5.791 -19.467 1.00 0.00 C ATOM 0 HA PRO A 80 -1.996 5.686 -17.157 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.621 7.934 -17.019 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.488 7.727 -18.340 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.446 7.161 -18.278 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.500 7.930 -19.537 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.243 5.316 -19.708 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.738 5.886 -20.401 1.00 0.00 H new ATOM 1249 N VAL A 81 -3.002 5.361 -14.996 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.569 5.081 -13.682 1.00 0.00 C ATOM 1251 C VAL A 81 -4.400 6.256 -13.181 1.00 0.00 C ATOM 1252 O VAL A 81 -4.152 7.413 -13.520 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.469 4.767 -12.651 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.683 3.533 -13.067 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.545 5.964 -12.478 1.00 0.00 C ATOM 0 H VAL A 81 -1.982 5.373 -15.022 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.211 4.207 -13.794 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.943 4.560 -11.691 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.910 3.327 -12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.357 2.679 -13.136 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.218 3.708 -14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.773 5.725 -11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.077 6.204 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.121 6.821 -12.131 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.412 5.955 -12.353 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.300 6.973 -11.785 1.00 0.00 C ATOM 1267 C PRO A 82 -5.594 7.853 -10.760 1.00 0.00 C ATOM 1268 O PRO A 82 -6.195 8.764 -10.190 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.402 6.149 -11.114 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.760 4.840 -10.805 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.765 4.597 -11.906 1.00 0.00 C ATOM 0 HA PRO A 82 -6.667 7.662 -12.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.765 6.636 -10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.260 6.023 -11.774 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.268 4.867 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.501 4.042 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.892 4.053 -11.546 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.197 4.007 -12.715 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.315 7.575 -10.530 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.527 8.343 -9.573 1.00 0.00 C ATOM 1281 C TRP A 83 -2.314 8.973 -10.248 1.00 0.00 C ATOM 1282 O TRP A 83 -1.343 9.337 -9.585 1.00 0.00 O ATOM 1283 CB TRP A 83 -3.075 7.447 -8.419 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.152 6.346 -8.847 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.844 6.472 -9.218 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.469 4.954 -8.950 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.328 5.241 -9.545 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.305 4.293 -9.388 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.622 4.201 -8.713 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.263 2.917 -9.595 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.579 2.835 -8.918 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.406 2.204 -9.355 1.00 0.00 C ATOM 0 H TRP A 83 -3.803 6.824 -10.993 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.156 9.142 -9.180 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.575 8.059 -7.668 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.953 7.011 -7.942 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.296 7.402 -9.250 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.627 5.062 -9.854 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.530 4.678 -8.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.360 2.430 -9.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.464 2.243 -8.738 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.404 1.134 -9.505 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.376 9.099 -11.570 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.281 9.686 -12.334 1.00 0.00 C ATOM 1305 C GLU A 84 -1.392 11.207 -12.363 1.00 0.00 C ATOM 1306 O GLU A 84 -0.973 11.854 -13.324 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.274 9.136 -13.762 1.00 0.00 C ATOM 1308 CG GLU A 84 0.120 8.928 -14.327 1.00 0.00 C ATOM 1309 CD GLU A 84 0.759 10.221 -14.796 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.235 10.830 -15.753 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.782 10.625 -14.205 1.00 0.00 O ATOM 0 H GLU A 84 -3.173 8.803 -12.134 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.345 9.417 -11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.809 8.187 -13.779 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.821 9.822 -14.409 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.752 8.470 -13.566 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.069 8.229 -15.162 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.960 11.774 -11.304 1.00 0.00 N ATOM 1319 CA LYS A 85 -2.126 13.219 -11.206 1.00 0.00 C ATOM 1320 C LYS A 85 -1.052 13.831 -10.313 1.00 0.00 C ATOM 1321 O LYS A 85 -0.747 13.305 -9.242 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.514 13.557 -10.656 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.633 12.750 -11.291 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.737 13.018 -12.783 1.00 0.00 C ATOM 1325 CE LYS A 85 -5.811 12.158 -13.431 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.527 10.704 -13.273 1.00 0.00 N ATOM 0 H LYS A 85 -2.313 11.254 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.025 13.640 -12.206 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.520 13.387 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.709 14.618 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.457 11.688 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.579 12.997 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.963 14.071 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.776 12.820 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.779 12.389 -12.986 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.881 12.401 -14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.111 10.162 -13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.521 10.524 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.750 10.410 -12.301 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.481 14.944 -10.760 1.00 0.00 N ATOM 1341 CA ASP A 86 0.558 15.630 -10.001 1.00 0.00 C ATOM 1342 C ASP A 86 0.011 16.144 -8.673 1.00 0.00 C ATOM 1343 O ASP A 86 0.705 16.130 -7.657 1.00 0.00 O ATOM 1344 CB ASP A 86 1.133 16.790 -10.814 1.00 0.00 C ATOM 1345 CG ASP A 86 1.424 16.403 -12.250 1.00 0.00 C ATOM 1346 OD1 ASP A 86 2.090 15.368 -12.462 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.986 17.134 -13.163 1.00 0.00 O ATOM 0 H ASP A 86 -0.720 15.391 -11.645 1.00 0.00 H new ATOM 0 HA ASP A 86 1.353 14.914 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.430 17.623 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.051 17.140 -10.342 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.238 16.599 -8.690 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.877 17.120 -7.487 1.00 0.00 C ATOM 1354 C GLU A 87 -1.822 16.098 -6.356 1.00 0.00 C ATOM 1355 O GLU A 87 -1.702 16.458 -5.184 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.331 17.498 -7.778 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.164 16.345 -8.311 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.642 16.506 -8.012 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.332 17.199 -8.789 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -6.109 15.939 -7.001 1.00 0.00 O ATOM 0 H GLU A 87 -1.827 16.617 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.333 18.011 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.790 17.874 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.348 18.313 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.022 16.267 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.808 15.412 -7.874 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.912 14.822 -6.714 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.876 13.747 -5.730 1.00 0.00 C ATOM 1369 C TYR A 88 -0.581 13.790 -4.923 1.00 0.00 C ATOM 1370 O TYR A 88 -0.581 13.559 -3.714 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.014 12.390 -6.421 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.442 12.025 -6.759 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.441 12.086 -5.795 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.791 11.618 -8.041 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.747 11.753 -6.099 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.095 11.285 -8.354 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.069 11.353 -7.380 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.368 11.021 -7.687 1.00 0.00 O ATOM 0 H TYR A 88 -2.010 14.507 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.714 13.886 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.423 12.396 -7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.594 11.619 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.192 12.399 -4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.030 11.561 -8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.512 11.805 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.350 10.973 -9.356 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.425 10.762 -8.630 1.00 0.00 H new ATOM 1388 N LEU A 89 0.521 14.089 -5.602 1.00 0.00 N ATOM 1389 CA LEU A 89 1.824 14.164 -4.950 1.00 0.00 C ATOM 1390 C LEU A 89 1.705 14.796 -3.567 1.00 0.00 C ATOM 1391 O LEU A 89 2.384 14.387 -2.625 1.00 0.00 O ATOM 1392 CB LEU A 89 2.800 14.970 -5.810 1.00 0.00 C ATOM 1393 CG LEU A 89 3.377 14.246 -7.027 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.997 15.242 -7.995 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.403 13.209 -6.595 1.00 0.00 C ATOM 0 H LEU A 89 0.538 14.283 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 89 2.204 13.149 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.291 15.870 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.627 15.294 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 89 2.564 13.731 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.403 14.709 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.235 15.946 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.798 15.786 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.803 12.704 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.215 13.701 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.928 12.478 -5.941 1.00 0.00 H new ATOM 1407 N LYS A 90 0.837 15.796 -3.451 1.00 0.00 N ATOM 1408 CA LYS A 90 0.626 16.483 -2.183 1.00 0.00 C ATOM 1409 C LYS A 90 -0.003 15.548 -1.155 1.00 0.00 C ATOM 1410 O LYS A 90 -0.878 14.740 -1.469 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.268 17.709 -2.387 1.00 0.00 C ATOM 1412 CG LYS A 90 0.466 18.908 -2.961 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.492 19.885 -3.621 1.00 0.00 C ATOM 1414 CE LYS A 90 0.254 21.008 -4.325 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.706 20.606 -5.686 1.00 0.00 N ATOM 0 H LYS A 90 0.268 16.148 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 90 1.597 16.806 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.089 17.443 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.711 17.988 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.014 19.415 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.202 18.570 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.116 19.355 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.160 20.306 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.393 21.882 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.117 21.301 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.210 21.399 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.344 19.788 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.120 20.351 -6.265 1.00 0.00 H new ATOM 1429 N PRO A 91 0.451 15.658 0.102 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.056 14.831 1.202 1.00 0.00 C ATOM 1431 C PRO A 91 -1.488 15.187 1.583 1.00 0.00 C ATOM 1432 O PRO A 91 -1.732 16.193 2.249 1.00 0.00 O ATOM 1433 CB PRO A 91 0.900 15.150 2.354 1.00 0.00 C ATOM 1434 CG PRO A 91 1.423 16.511 2.047 1.00 0.00 C ATOM 1435 CD PRO A 91 1.492 16.599 0.547 1.00 0.00 C ATOM 0 HA PRO A 91 -0.088 13.774 0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.383 15.132 3.314 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.707 14.420 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.768 17.282 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.406 16.661 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.296 17.612 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.476 16.316 0.173 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.434 14.356 1.156 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.843 14.583 1.455 1.00 0.00 C ATOM 1445 C VAL A 92 -4.049 14.886 2.934 1.00 0.00 C ATOM 1446 O VAL A 92 -4.901 15.696 3.301 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.702 13.365 1.067 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.164 13.614 1.401 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.531 13.042 -0.410 1.00 0.00 C ATOM 0 H VAL A 92 -2.250 13.520 0.602 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.157 15.443 0.864 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.364 12.505 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.755 12.742 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.267 13.792 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.519 14.486 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.145 12.179 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.841 13.899 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.484 12.817 -0.614 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.264 14.231 3.782 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.359 14.430 5.224 1.00 0.00 C ATOM 1461 C LEU A 93 -2.087 15.069 5.771 1.00 0.00 C ATOM 1462 O LEU A 93 -1.191 15.437 5.012 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.617 13.096 5.927 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.572 12.136 5.217 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.810 11.237 4.257 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.344 11.304 6.232 1.00 0.00 C ATOM 0 H LEU A 93 -2.554 13.557 3.496 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.194 15.103 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.661 12.590 6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.014 13.303 6.921 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.286 12.724 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.507 10.561 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.304 11.848 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.072 10.656 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.019 10.626 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.645 10.725 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.922 11.964 6.879 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.015 15.196 7.092 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.852 15.789 7.740 1.00 0.00 C ATOM 1480 C GLU A 94 0.002 14.718 8.413 1.00 0.00 C ATOM 1481 O GLU A 94 -0.520 13.800 9.045 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.290 16.830 8.772 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.144 17.663 9.322 1.00 0.00 C ATOM 1484 CD GLU A 94 -0.459 18.268 10.676 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.614 18.700 10.877 1.00 0.00 O ATOM 1486 OE2 GLU A 94 0.447 18.310 11.533 1.00 0.00 O ATOM 0 H GLU A 94 -2.749 14.896 7.734 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.252 16.279 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.024 17.494 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.788 16.323 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.746 17.039 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.091 18.461 8.618 1.00 0.00 H new ATOM 1493 N ASP A 95 1.317 14.842 8.270 1.00 0.00 N ATOM 1494 CA ASP A 95 2.244 13.886 8.864 1.00 0.00 C ATOM 1495 C ASP A 95 1.970 12.474 8.353 1.00 0.00 C ATOM 1496 O ASP A 95 1.992 11.511 9.120 1.00 0.00 O ATOM 1497 CB ASP A 95 2.138 13.919 10.389 1.00 0.00 C ATOM 1498 CG ASP A 95 3.435 13.525 11.068 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.480 14.129 10.748 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.404 12.613 11.921 1.00 0.00 O ATOM 0 H ASP A 95 1.765 15.595 7.748 1.00 0.00 H new ATOM 0 HA ASP A 95 3.255 14.169 8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.854 14.921 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.344 13.245 10.710 1.00 0.00 H new ATOM 1505 N ASP A 96 1.710 12.360 7.055 1.00 0.00 N ATOM 1506 CA ASP A 96 1.432 11.067 6.442 1.00 0.00 C ATOM 1507 C ASP A 96 2.660 10.164 6.496 1.00 0.00 C ATOM 1508 O ASP A 96 3.589 10.314 5.702 1.00 0.00 O ATOM 1509 CB ASP A 96 0.983 11.252 4.992 1.00 0.00 C ATOM 1510 CG ASP A 96 0.281 10.026 4.442 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.631 8.903 4.862 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.619 10.190 3.592 1.00 0.00 O ATOM 0 H ASP A 96 1.686 13.148 6.407 1.00 0.00 H new ATOM 0 HA ASP A 96 0.629 10.591 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.313 12.110 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.851 11.479 4.372 1.00 0.00 H new ATOM 1517 N LEU A 97 2.658 9.227 7.437 1.00 0.00 N ATOM 1518 CA LEU A 97 3.773 8.299 7.596 1.00 0.00 C ATOM 1519 C LEU A 97 3.919 7.408 6.367 1.00 0.00 C ATOM 1520 O LEU A 97 5.032 7.086 5.948 1.00 0.00 O ATOM 1521 CB LEU A 97 3.571 7.438 8.844 1.00 0.00 C ATOM 1522 CG LEU A 97 3.305 8.194 10.146 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.722 7.260 11.195 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.583 8.842 10.657 1.00 0.00 C ATOM 0 H LEU A 97 1.897 9.089 8.102 1.00 0.00 H new ATOM 0 HA LEU A 97 4.687 8.883 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.735 6.762 8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.458 6.819 8.981 1.00 0.00 H new ATOM 0 HG LEU A 97 2.578 8.981 9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.539 7.815 12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.783 6.843 10.830 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.425 6.451 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.375 9.376 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.332 8.072 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.959 9.543 9.912 1.00 0.00 H new ATOM 1536 N LEU A 98 2.788 7.014 5.791 1.00 0.00 N ATOM 1537 CA LEU A 98 2.790 6.161 4.607 1.00 0.00 C ATOM 1538 C LEU A 98 3.720 6.720 3.535 1.00 0.00 C ATOM 1539 O LEU A 98 4.528 5.990 2.957 1.00 0.00 O ATOM 1540 CB LEU A 98 1.372 6.028 4.048 1.00 0.00 C ATOM 1541 CG LEU A 98 0.317 5.490 5.016 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.057 5.493 4.364 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.686 4.089 5.482 1.00 0.00 C ATOM 0 H LEU A 98 1.859 7.271 6.124 1.00 0.00 H new ATOM 0 HA LEU A 98 3.153 5.176 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.048 7.008 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.406 5.372 3.178 1.00 0.00 H new ATOM 0 HG LEU A 98 0.284 6.144 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.794 5.107 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.323 6.511 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.039 4.863 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.076 3.722 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.748 3.424 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.650 4.117 5.989 1.00 0.00 H new ATOM 1555 N LEU A 99 3.604 8.017 3.275 1.00 0.00 N ATOM 1556 CA LEU A 99 4.437 8.675 2.274 1.00 0.00 C ATOM 1557 C LEU A 99 5.913 8.576 2.643 1.00 0.00 C ATOM 1558 O LEU A 99 6.780 8.543 1.770 1.00 0.00 O ATOM 1559 CB LEU A 99 4.032 10.143 2.131 1.00 0.00 C ATOM 1560 CG LEU A 99 2.547 10.410 1.886 1.00 0.00 C ATOM 1561 CD1 LEU A 99 2.324 11.857 1.476 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.002 9.463 0.827 1.00 0.00 C ATOM 0 H LEU A 99 2.941 8.635 3.743 1.00 0.00 H new ATOM 0 HA LEU A 99 4.286 8.168 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.331 10.671 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.599 10.577 1.307 1.00 0.00 H new ATOM 0 HG LEU A 99 2.008 10.231 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.261 12.027 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.675 12.518 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.876 12.065 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.944 9.668 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.546 9.609 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.125 8.433 1.162 1.00 0.00 H new ATOM 1574 N GLN A 100 6.191 8.526 3.942 1.00 0.00 N ATOM 1575 CA GLN A 100 7.563 8.429 4.426 1.00 0.00 C ATOM 1576 C GLN A 100 7.882 7.007 4.876 1.00 0.00 C ATOM 1577 O GLN A 100 8.641 6.800 5.823 1.00 0.00 O ATOM 1578 CB GLN A 100 7.789 9.405 5.582 1.00 0.00 C ATOM 1579 CG GLN A 100 6.630 9.462 6.565 1.00 0.00 C ATOM 1580 CD GLN A 100 6.876 10.438 7.699 1.00 0.00 C ATOM 1581 OE1 GLN A 100 7.882 10.350 8.403 1.00 0.00 O ATOM 1582 NE2 GLN A 100 5.954 11.376 7.883 1.00 0.00 N ATOM 0 H GLN A 100 5.485 8.551 4.678 1.00 0.00 H new ATOM 0 HA GLN A 100 8.230 8.689 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.695 9.119 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.960 10.402 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.722 9.748 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 100 6.458 8.468 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.135 11.412 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.065 12.060 8.631 1.00 0.00 H new ATOM 1591 N PHE A 101 7.296 6.030 4.192 1.00 0.00 N ATOM 1592 CA PHE A 101 7.517 4.627 4.523 1.00 0.00 C ATOM 1593 C PHE A 101 8.670 4.050 3.706 1.00 0.00 C ATOM 1594 O PHE A 101 9.016 4.573 2.646 1.00 0.00 O ATOM 1595 CB PHE A 101 6.244 3.815 4.272 1.00 0.00 C ATOM 1596 CG PHE A 101 6.502 2.356 4.026 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.709 1.487 5.085 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.538 1.854 2.735 1.00 0.00 C ATOM 1599 CE1 PHE A 101 6.947 0.144 4.862 1.00 0.00 C ATOM 1600 CE2 PHE A 101 6.775 0.512 2.506 1.00 0.00 C ATOM 1601 CZ PHE A 101 6.980 -0.344 3.570 1.00 0.00 C ATOM 0 H PHE A 101 6.665 6.184 3.406 1.00 0.00 H new ATOM 0 HA PHE A 101 7.777 4.566 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.581 3.919 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.720 4.233 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.684 1.864 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.379 2.519 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.107 -0.523 5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.800 0.133 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.166 -1.393 3.392 1.00 0.00 H new ATOM 1611 N ASP A 102 9.261 2.972 4.208 1.00 0.00 N ATOM 1612 CA ASP A 102 10.375 2.323 3.525 1.00 0.00 C ATOM 1613 C ASP A 102 9.891 1.566 2.293 1.00 0.00 C ATOM 1614 O ASP A 102 9.706 0.350 2.331 1.00 0.00 O ATOM 1615 CB ASP A 102 11.096 1.366 4.476 1.00 0.00 C ATOM 1616 CG ASP A 102 11.936 2.096 5.506 1.00 0.00 C ATOM 1617 OD1 ASP A 102 12.493 3.162 5.169 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.035 1.602 6.648 1.00 0.00 O ATOM 0 H ASP A 102 8.988 2.529 5.085 1.00 0.00 H new ATOM 0 HA ASP A 102 11.072 3.097 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.361 0.743 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.735 0.697 3.899 1.00 0.00 H new ATOM 1623 N VAL A 103 9.685 2.295 1.200 1.00 0.00 N ATOM 1624 CA VAL A 103 9.222 1.693 -0.045 1.00 0.00 C ATOM 1625 C VAL A 103 10.396 1.262 -0.917 1.00 0.00 C ATOM 1626 O VAL A 103 10.275 0.345 -1.728 1.00 0.00 O ATOM 1627 CB VAL A 103 8.334 2.666 -0.843 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.174 3.777 -1.454 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.559 1.919 -1.918 1.00 0.00 C ATOM 0 H VAL A 103 9.832 3.303 1.152 1.00 0.00 H new ATOM 0 HA VAL A 103 8.634 0.816 0.227 1.00 0.00 H new ATOM 0 HB VAL A 103 7.617 3.120 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.529 4.455 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.679 4.329 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.916 3.345 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.937 2.621 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.258 1.436 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.926 1.164 -1.452 1.00 0.00 H new ATOM 1639 N GLU A 104 11.532 1.931 -0.743 1.00 0.00 N ATOM 1640 CA GLU A 104 12.728 1.617 -1.515 1.00 0.00 C ATOM 1641 C GLU A 104 13.052 0.127 -1.436 1.00 0.00 C ATOM 1642 O GLU A 104 13.326 -0.514 -2.450 1.00 0.00 O ATOM 1643 CB GLU A 104 13.918 2.436 -1.010 1.00 0.00 C ATOM 1644 CG GLU A 104 13.902 3.883 -1.474 1.00 0.00 C ATOM 1645 CD GLU A 104 15.284 4.506 -1.488 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.169 4.002 -0.766 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.480 5.499 -2.220 1.00 0.00 O ATOM 0 H GLU A 104 11.649 2.693 -0.075 1.00 0.00 H new ATOM 0 HA GLU A 104 12.534 1.874 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.928 2.413 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.841 1.965 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.474 3.935 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.252 4.464 -0.819 1.00 0.00 H new ATOM 1654 N ASP A 105 13.018 -0.415 -0.224 1.00 0.00 N ATOM 1655 CA ASP A 105 13.307 -1.829 -0.011 1.00 0.00 C ATOM 1656 C ASP A 105 12.467 -2.701 -0.939 1.00 0.00 C ATOM 1657 O ASP A 105 12.916 -3.753 -1.395 1.00 0.00 O ATOM 1658 CB ASP A 105 13.042 -2.211 1.446 1.00 0.00 C ATOM 1659 CG ASP A 105 13.635 -3.559 1.808 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.572 -4.001 1.110 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.163 -4.170 2.789 1.00 0.00 O ATOM 0 H ASP A 105 12.793 0.102 0.626 1.00 0.00 H new ATOM 0 HA ASP A 105 14.360 -1.998 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.459 -1.446 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.967 -2.231 1.624 1.00 0.00 H new ATOM 1666 N LEU A 106 11.246 -2.257 -1.215 1.00 0.00 N ATOM 1667 CA LEU A 106 10.342 -2.998 -2.088 1.00 0.00 C ATOM 1668 C LEU A 106 10.989 -3.261 -3.444 1.00 0.00 C ATOM 1669 O LEU A 106 10.742 -4.291 -4.072 1.00 0.00 O ATOM 1670 CB LEU A 106 9.035 -2.225 -2.275 1.00 0.00 C ATOM 1671 CG LEU A 106 8.332 -1.774 -0.994 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.989 -1.138 -1.318 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.153 -2.948 -0.043 1.00 0.00 C ATOM 0 H LEU A 106 10.859 -1.388 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 106 10.126 -3.957 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.241 -1.343 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.345 -2.849 -2.844 1.00 0.00 H new ATOM 0 HG LEU A 106 8.956 -1.027 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.503 -0.823 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.143 -0.271 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.357 -1.863 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.651 -2.609 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.551 -3.718 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.129 -3.359 0.215 1.00 0.00 H new