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 -136:sc= -0.255 (180deg=-3.76!) USER MOD Set 1.2: A 50 HIS : no HD1:sc= -0.941 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 18 CYS SG : rot 67:sc= 1.71 USER MOD Set 2.2: A 21 CYS SG : rot -51:sc= -3.51 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.71 K(o=-6.5,f=-9.4!) USER MOD Set 2.4: A 35 CYS SG : rot -80:sc= 0.238 USER MOD Set 2.5: A 39 HIS :FLIP no HD1:sc= -3.18! C(o=-8.3!,f=-6.5!) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -111:sc= 1.17 (180deg=-0.154) USER MOD Set 3.2: A 42 ASN : amide:sc= -1.42! C(o=-0.25!,f=-6.2!) USER MOD Single : A 14 GLN : amide:sc= -0.725 K(o=-0.73,f=-2.4) USER MOD Single : A 15 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-4.5!) USER MOD Single : A 16 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -39:sc= 0.784 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.068) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 157:sc= 1.07 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.65 K(o=-1.6,f=-3.5) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc=-0.00236 (180deg=-0.583) USER MOD Single : A 68 ASN : amide:sc= -0.0618 X(o=-0.062,f=0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= -0.0985 USER MOD Single : A 74 MET CE :methyl 142:sc= -0.385 (180deg=-2.21!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.13) 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= -0.0964 K(o=-0.096,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -138:sc= 0.0661 USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0366 (180deg=-0.267) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.159 F(o=-0.71,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.686 9.756 17.037 1.00 0.00 N ATOM 154 CA GLN A 14 2.328 9.896 15.630 1.00 0.00 C ATOM 155 C GLN A 14 1.599 8.654 15.128 1.00 0.00 C ATOM 156 O GLN A 14 2.086 7.533 15.276 1.00 0.00 O ATOM 157 CB GLN A 14 3.580 10.143 14.786 1.00 0.00 C ATOM 158 CG GLN A 14 3.338 10.025 13.290 1.00 0.00 C ATOM 159 CD GLN A 14 2.354 11.058 12.775 1.00 0.00 C ATOM 160 OE1 GLN A 14 2.540 12.260 12.969 1.00 0.00 O ATOM 161 NE2 GLN A 14 1.300 10.594 12.114 1.00 0.00 N ATOM 0 HA GLN A 14 1.659 10.751 15.534 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.966 11.138 15.006 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.351 9.431 15.078 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.285 10.136 12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.963 9.027 13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.186 9.590 11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.605 11.242 11.744 1.00 0.00 H new ATOM 170 N HIS A 15 0.428 8.861 14.534 1.00 0.00 N ATOM 171 CA HIS A 15 -0.369 7.757 14.009 1.00 0.00 C ATOM 172 C HIS A 15 -0.911 8.090 12.622 1.00 0.00 C ATOM 173 O HIS A 15 -1.233 9.241 12.329 1.00 0.00 O ATOM 174 CB HIS A 15 -1.524 7.439 14.958 1.00 0.00 C ATOM 175 CG HIS A 15 -1.092 7.211 16.374 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.398 8.149 17.109 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.259 6.144 17.190 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.156 7.668 18.316 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.669 6.453 18.391 1.00 0.00 N ATOM 0 H HIS A 15 0.010 9.782 14.404 1.00 0.00 H new ATOM 0 HA HIS A 15 0.276 6.882 13.927 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.240 8.260 14.933 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.045 6.551 14.598 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.763 5.221 16.943 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.371 8.181 19.107 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.633 5.843 19.208 1.00 0.00 H new ATOM 187 N THR A 16 -1.007 7.073 11.771 1.00 0.00 N ATOM 188 CA THR A 16 -1.508 7.257 10.415 1.00 0.00 C ATOM 189 C THR A 16 -2.780 6.450 10.184 1.00 0.00 C ATOM 190 O THR A 16 -2.830 5.243 10.423 1.00 0.00 O ATOM 191 CB THR A 16 -0.455 6.847 9.367 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.932 7.148 8.051 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.139 5.363 9.470 1.00 0.00 C ATOM 0 H THR A 16 -0.744 6.114 11.997 1.00 0.00 H new ATOM 0 HA THR A 16 -1.729 8.318 10.301 1.00 0.00 H new ATOM 0 HB THR A 16 0.458 7.411 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.172 7.351 7.466 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.606 5.097 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.250 5.142 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.047 4.785 9.300 1.00 0.00 H new ATOM 201 N PRO A 17 -3.834 7.128 9.706 1.00 0.00 N ATOM 202 CA PRO A 17 -5.126 6.492 9.431 1.00 0.00 C ATOM 203 C PRO A 17 -5.065 5.550 8.233 1.00 0.00 C ATOM 204 O PRO A 17 -4.081 5.534 7.492 1.00 0.00 O ATOM 205 CB PRO A 17 -6.048 7.677 9.133 1.00 0.00 C ATOM 206 CG PRO A 17 -5.138 8.754 8.651 1.00 0.00 C ATOM 207 CD PRO A 17 -3.845 8.568 9.397 1.00 0.00 C ATOM 0 HA PRO A 17 -5.461 5.872 10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.792 7.420 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.593 7.989 10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.982 8.680 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.562 9.739 8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.986 8.855 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.813 9.174 10.303 1.00 0.00 H new ATOM 215 N CYS A 18 -6.122 4.767 8.048 1.00 0.00 N ATOM 216 CA CYS A 18 -6.189 3.822 6.940 1.00 0.00 C ATOM 217 C CYS A 18 -6.650 4.515 5.661 1.00 0.00 C ATOM 218 O CYS A 18 -7.190 5.621 5.701 1.00 0.00 O ATOM 219 CB CYS A 18 -7.139 2.671 7.281 1.00 0.00 C ATOM 220 SG CYS A 18 -7.111 1.304 6.078 1.00 0.00 S ATOM 0 H CYS A 18 -6.944 4.768 8.651 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.189 3.422 6.775 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.881 2.280 8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.155 3.060 7.349 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.957 0.708 6.125 1.00 0.00 H new ATOM 225 N LEU A 19 -6.434 3.856 4.528 1.00 0.00 N ATOM 226 CA LEU A 19 -6.828 4.408 3.236 1.00 0.00 C ATOM 227 C LEU A 19 -8.292 4.101 2.936 1.00 0.00 C ATOM 228 O LEU A 19 -9.046 4.977 2.512 1.00 0.00 O ATOM 229 CB LEU A 19 -5.939 3.844 2.126 1.00 0.00 C ATOM 230 CG LEU A 19 -4.433 3.885 2.386 1.00 0.00 C ATOM 231 CD1 LEU A 19 -4.054 5.159 3.126 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.993 2.659 3.173 1.00 0.00 C ATOM 0 H LEU A 19 -5.989 2.940 4.477 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.704 5.490 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.228 2.808 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.144 4.395 1.208 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.918 3.879 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.978 5.171 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.333 6.025 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.579 5.195 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.918 2.706 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.516 2.633 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.229 1.759 2.606 1.00 0.00 H new ATOM 244 N PHE A 20 -8.687 2.852 3.160 1.00 0.00 N ATOM 245 CA PHE A 20 -10.061 2.430 2.914 1.00 0.00 C ATOM 246 C PHE A 20 -10.964 2.810 4.084 1.00 0.00 C ATOM 247 O PHE A 20 -12.066 3.324 3.892 1.00 0.00 O ATOM 248 CB PHE A 20 -10.119 0.919 2.681 1.00 0.00 C ATOM 249 CG PHE A 20 -9.171 0.440 1.619 1.00 0.00 C ATOM 250 CD1 PHE A 20 -7.872 0.083 1.940 1.00 0.00 C ATOM 251 CD2 PHE A 20 -9.581 0.346 0.298 1.00 0.00 C ATOM 252 CE1 PHE A 20 -6.997 -0.358 0.965 1.00 0.00 C ATOM 253 CE2 PHE A 20 -8.711 -0.095 -0.681 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.418 -0.446 -0.348 1.00 0.00 C ATOM 0 H PHE A 20 -8.076 2.115 3.511 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.418 2.943 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.894 0.406 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.135 0.641 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.538 0.150 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.591 0.620 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.987 -0.633 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.043 -0.165 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.737 -0.789 -1.113 1.00 0.00 H new ATOM 264 N CYS A 21 -10.488 2.554 5.298 1.00 0.00 N ATOM 265 CA CYS A 21 -11.251 2.867 6.501 1.00 0.00 C ATOM 266 C CYS A 21 -10.593 4.002 7.282 1.00 0.00 C ATOM 267 O CYS A 21 -9.616 4.597 6.828 1.00 0.00 O ATOM 268 CB CYS A 21 -11.375 1.627 7.389 1.00 0.00 C ATOM 269 SG CYS A 21 -9.817 1.126 8.189 1.00 0.00 S ATOM 0 H CYS A 21 -9.577 2.130 5.475 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.247 3.188 6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.121 1.819 8.160 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.745 0.797 6.786 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.880 1.032 7.293 1.00 0.00 H new ATOM 274 N ASP A 22 -11.137 4.295 8.458 1.00 0.00 N ATOM 275 CA ASP A 22 -10.603 5.356 9.303 1.00 0.00 C ATOM 276 C ASP A 22 -9.878 4.775 10.513 1.00 0.00 C ATOM 277 O ASP A 22 -10.072 5.227 11.642 1.00 0.00 O ATOM 278 CB ASP A 22 -11.727 6.285 9.764 1.00 0.00 C ATOM 279 CG ASP A 22 -12.305 7.104 8.626 1.00 0.00 C ATOM 280 OD1 ASP A 22 -11.545 7.447 7.698 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.517 7.401 8.665 1.00 0.00 O ATOM 0 H ASP A 22 -11.947 3.813 8.847 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.887 5.929 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.520 5.692 10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.347 6.956 10.534 1.00 0.00 H new ATOM 286 N ARG A 23 -9.044 3.770 10.270 1.00 0.00 N ATOM 287 CA ARG A 23 -8.292 3.125 11.340 1.00 0.00 C ATOM 288 C ARG A 23 -6.916 3.763 11.499 1.00 0.00 C ATOM 289 O ARG A 23 -6.156 3.873 10.536 1.00 0.00 O ATOM 290 CB ARG A 23 -8.143 1.629 11.058 1.00 0.00 C ATOM 291 CG ARG A 23 -9.385 0.819 11.395 1.00 0.00 C ATOM 292 CD ARG A 23 -9.201 -0.651 11.049 1.00 0.00 C ATOM 293 NE ARG A 23 -10.112 -1.508 11.804 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.377 -1.718 11.460 1.00 0.00 C ATOM 295 NH1 ARG A 23 -11.880 -1.137 10.380 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.143 -2.512 12.198 1.00 0.00 N ATOM 0 H ARG A 23 -8.872 3.384 9.342 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.845 3.259 12.270 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.903 1.489 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.300 1.242 11.631 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.609 0.919 12.457 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.240 1.218 10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.367 -0.796 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.172 -0.946 11.254 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.757 -1.970 12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.295 -0.526 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.852 -1.301 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.760 -2.961 13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.115 -2.673 11.933 1.00 0.00 H new ATOM 310 N LEU A 24 -6.601 4.183 12.719 1.00 0.00 N ATOM 311 CA LEU A 24 -5.315 4.811 13.005 1.00 0.00 C ATOM 312 C LEU A 24 -4.273 3.767 13.393 1.00 0.00 C ATOM 313 O LEU A 24 -4.572 2.815 14.115 1.00 0.00 O ATOM 314 CB LEU A 24 -5.466 5.840 14.127 1.00 0.00 C ATOM 315 CG LEU A 24 -6.075 7.184 13.727 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.466 7.981 14.962 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.102 7.975 12.866 1.00 0.00 C ATOM 0 H LEU A 24 -7.218 4.100 13.527 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.976 5.316 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.083 5.404 14.913 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.482 6.024 14.559 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.975 6.994 13.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.898 8.935 14.658 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.199 7.419 15.541 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.582 8.161 15.574 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.552 8.929 12.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.184 8.155 13.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.871 7.409 11.964 1.00 0.00 H new ATOM 329 N PHE A 25 -3.049 3.953 12.911 1.00 0.00 N ATOM 330 CA PHE A 25 -1.962 3.028 13.208 1.00 0.00 C ATOM 331 C PHE A 25 -0.662 3.782 13.470 1.00 0.00 C ATOM 332 O PHE A 25 -0.196 4.549 12.627 1.00 0.00 O ATOM 333 CB PHE A 25 -1.770 2.044 12.052 1.00 0.00 C ATOM 334 CG PHE A 25 -3.013 1.276 11.706 1.00 0.00 C ATOM 335 CD1 PHE A 25 -3.368 0.146 12.425 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.827 1.684 10.661 1.00 0.00 C ATOM 337 CE1 PHE A 25 -4.512 -0.563 12.109 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.972 0.979 10.341 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.314 -0.146 11.065 1.00 0.00 C ATOM 0 H PHE A 25 -2.785 4.736 12.313 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.227 2.473 14.108 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.434 2.591 11.171 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.979 1.341 12.312 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.744 -0.185 13.242 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.564 2.562 10.091 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.778 -1.442 12.678 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.599 1.308 9.525 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.207 -0.699 10.815 1.00 0.00 H new ATOM 349 N ALA A 26 -0.082 3.560 14.645 1.00 0.00 N ATOM 350 CA ALA A 26 1.165 4.217 15.018 1.00 0.00 C ATOM 351 C ALA A 26 2.159 4.205 13.862 1.00 0.00 C ATOM 352 O ALA A 26 2.795 5.217 13.567 1.00 0.00 O ATOM 353 CB ALA A 26 1.769 3.547 16.243 1.00 0.00 C ATOM 0 H ALA A 26 -0.456 2.930 15.355 1.00 0.00 H new ATOM 0 HA ALA A 26 0.941 5.256 15.259 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.700 4.048 16.510 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.069 3.613 17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.972 2.499 16.022 1.00 0.00 H new ATOM 359 N SER A 27 2.289 3.053 13.211 1.00 0.00 N ATOM 360 CA SER A 27 3.210 2.908 12.090 1.00 0.00 C ATOM 361 C SER A 27 2.460 2.529 10.817 1.00 0.00 C ATOM 362 O SER A 27 1.293 2.144 10.863 1.00 0.00 O ATOM 363 CB SER A 27 4.270 1.851 12.406 1.00 0.00 C ATOM 364 OG SER A 27 5.157 2.304 13.414 1.00 0.00 O ATOM 0 H SER A 27 1.768 2.207 13.441 1.00 0.00 H new ATOM 0 HA SER A 27 3.702 3.867 11.929 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.785 0.931 12.731 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.832 1.613 11.503 1.00 0.00 H new ATOM 0 HG SER A 27 5.824 1.610 13.599 1.00 0.00 H new ATOM 370 N ALA A 28 3.141 2.641 9.681 1.00 0.00 N ATOM 371 CA ALA A 28 2.542 2.307 8.395 1.00 0.00 C ATOM 372 C ALA A 28 2.371 0.800 8.243 1.00 0.00 C ATOM 373 O ALA A 28 1.318 0.325 7.819 1.00 0.00 O ATOM 374 CB ALA A 28 3.388 2.862 7.259 1.00 0.00 C ATOM 0 H ALA A 28 4.108 2.961 9.626 1.00 0.00 H new ATOM 0 HA ALA A 28 1.553 2.764 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.929 2.605 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.453 3.946 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.389 2.433 7.307 1.00 0.00 H new ATOM 380 N GLU A 29 3.415 0.053 8.590 1.00 0.00 N ATOM 381 CA GLU A 29 3.379 -1.402 8.490 1.00 0.00 C ATOM 382 C GLU A 29 2.090 -1.957 9.089 1.00 0.00 C ATOM 383 O GLU A 29 1.453 -2.836 8.509 1.00 0.00 O ATOM 384 CB GLU A 29 4.589 -2.013 9.200 1.00 0.00 C ATOM 385 CG GLU A 29 5.849 -2.028 8.351 1.00 0.00 C ATOM 386 CD GLU A 29 7.060 -2.532 9.113 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.312 -2.025 10.227 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.755 -3.431 8.597 1.00 0.00 O ATOM 0 H GLU A 29 4.295 0.431 8.942 1.00 0.00 H new ATOM 0 HA GLU A 29 3.412 -1.670 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.784 -1.453 10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.348 -3.034 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.686 -2.658 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.048 -1.021 7.985 1.00 0.00 H new ATOM 395 N GLU A 30 1.713 -1.437 10.253 1.00 0.00 N ATOM 396 CA GLU A 30 0.501 -1.883 10.930 1.00 0.00 C ATOM 397 C GLU A 30 -0.704 -1.803 9.998 1.00 0.00 C ATOM 398 O GLU A 30 -1.473 -2.757 9.874 1.00 0.00 O ATOM 399 CB GLU A 30 0.249 -1.037 12.180 1.00 0.00 C ATOM 400 CG GLU A 30 0.896 -1.598 13.435 1.00 0.00 C ATOM 401 CD GLU A 30 2.390 -1.342 13.485 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.134 -2.028 12.753 1.00 0.00 O ATOM 403 OE2 GLU A 30 2.816 -0.458 14.257 1.00 0.00 O ATOM 0 H GLU A 30 2.228 -0.708 10.746 1.00 0.00 H new ATOM 0 HA GLU A 30 0.642 -2.923 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.625 -0.028 12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.826 -0.954 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.425 -1.153 14.312 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.713 -2.671 13.485 1.00 0.00 H new ATOM 410 N THR A 31 -0.863 -0.657 9.342 1.00 0.00 N ATOM 411 CA THR A 31 -1.975 -0.450 8.422 1.00 0.00 C ATOM 412 C THR A 31 -1.958 -1.481 7.300 1.00 0.00 C ATOM 413 O THR A 31 -2.874 -2.295 7.177 1.00 0.00 O ATOM 414 CB THR A 31 -1.940 0.962 7.808 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.592 1.924 8.810 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.288 1.320 7.200 1.00 0.00 C ATOM 0 H THR A 31 -0.235 0.142 9.431 1.00 0.00 H new ATOM 0 HA THR A 31 -2.891 -0.563 9.002 1.00 0.00 H new ATOM 0 HB THR A 31 -1.188 0.973 7.019 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.023 1.685 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.240 2.321 6.772 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.536 0.603 6.418 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.055 1.293 7.974 1.00 0.00 H new ATOM 424 N PHE A 32 -0.911 -1.442 6.482 1.00 0.00 N ATOM 425 CA PHE A 32 -0.775 -2.374 5.369 1.00 0.00 C ATOM 426 C PHE A 32 -1.230 -3.773 5.772 1.00 0.00 C ATOM 427 O PHE A 32 -2.164 -4.326 5.190 1.00 0.00 O ATOM 428 CB PHE A 32 0.676 -2.417 4.886 1.00 0.00 C ATOM 429 CG PHE A 32 1.109 -1.165 4.178 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.301 -0.581 3.216 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.325 -0.570 4.476 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.698 0.570 2.563 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.728 0.581 3.826 1.00 0.00 C ATOM 434 CZ PHE A 32 1.912 1.153 2.870 1.00 0.00 C ATOM 0 H PHE A 32 -0.144 -0.775 6.569 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.411 -2.024 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.330 -2.586 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.802 -3.267 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.650 -1.031 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.965 -1.011 5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.060 1.014 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.680 1.032 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.223 2.055 2.363 1.00 0.00 H new ATOM 444 N SER A 33 -0.563 -4.341 6.771 1.00 0.00 N ATOM 445 CA SER A 33 -0.895 -5.678 7.250 1.00 0.00 C ATOM 446 C SER A 33 -2.393 -5.804 7.513 1.00 0.00 C ATOM 447 O SER A 33 -3.001 -6.836 7.226 1.00 0.00 O ATOM 448 CB SER A 33 -0.113 -5.994 8.526 1.00 0.00 C ATOM 449 OG SER A 33 1.179 -6.489 8.223 1.00 0.00 O ATOM 0 H SER A 33 0.211 -3.896 7.265 1.00 0.00 H new ATOM 0 HA SER A 33 -0.618 -6.394 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.027 -5.095 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.658 -6.730 9.118 1.00 0.00 H new ATOM 0 HG SER A 33 1.659 -6.682 9.055 1.00 0.00 H new ATOM 455 N HIS A 34 -2.982 -4.747 8.062 1.00 0.00 N ATOM 456 CA HIS A 34 -4.409 -4.737 8.364 1.00 0.00 C ATOM 457 C HIS A 34 -5.236 -4.731 7.082 1.00 0.00 C ATOM 458 O HIS A 34 -6.257 -5.414 6.986 1.00 0.00 O ATOM 459 CB HIS A 34 -4.763 -3.520 9.219 1.00 0.00 C ATOM 460 CG HIS A 34 -6.142 -2.992 8.967 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.285 -3.656 9.360 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.558 -1.857 8.360 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.345 -2.952 9.004 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.931 -1.855 8.395 1.00 0.00 N ATOM 0 H HIS A 34 -2.493 -3.886 8.307 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.643 -5.644 8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.672 -3.787 10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.039 -2.728 9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.927 -1.094 7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.374 -3.227 9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.533 -1.126 8.013 1.00 0.00 H new ATOM 472 N CYS A 35 -4.789 -3.957 6.099 1.00 0.00 N ATOM 473 CA CYS A 35 -5.489 -3.860 4.823 1.00 0.00 C ATOM 474 C CYS A 35 -5.260 -5.112 3.982 1.00 0.00 C ATOM 475 O CYS A 35 -6.056 -5.435 3.100 1.00 0.00 O ATOM 476 CB CYS A 35 -5.023 -2.623 4.055 1.00 0.00 C ATOM 477 SG CYS A 35 -5.195 -1.075 4.974 1.00 0.00 S ATOM 0 H CYS A 35 -3.945 -3.388 6.161 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.556 -3.771 5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.977 -2.754 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.592 -2.548 3.128 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.429 -0.670 4.915 1.00 0.00 H new ATOM 483 N LYS A 36 -4.166 -5.813 4.259 1.00 0.00 N ATOM 484 CA LYS A 36 -3.830 -7.029 3.529 1.00 0.00 C ATOM 485 C LYS A 36 -4.651 -8.212 4.034 1.00 0.00 C ATOM 486 O LYS A 36 -4.828 -9.205 3.328 1.00 0.00 O ATOM 487 CB LYS A 36 -2.337 -7.336 3.666 1.00 0.00 C ATOM 488 CG LYS A 36 -1.443 -6.331 2.962 1.00 0.00 C ATOM 489 CD LYS A 36 -0.030 -6.355 3.520 1.00 0.00 C ATOM 490 CE LYS A 36 0.878 -5.383 2.781 1.00 0.00 C ATOM 491 NZ LYS A 36 1.523 -6.018 1.598 1.00 0.00 N ATOM 0 H LYS A 36 -3.496 -5.559 4.985 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.066 -6.867 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.076 -7.364 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.140 -8.330 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.417 -6.550 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.862 -5.331 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.052 -6.100 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.376 -7.364 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.298 -4.518 2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.647 -5.016 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.543 -6.124 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.101 -6.954 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.377 -5.420 0.760 1.00 0.00 H new ATOM 505 N LEU A 37 -5.152 -8.098 5.260 1.00 0.00 N ATOM 506 CA LEU A 37 -5.956 -9.157 5.859 1.00 0.00 C ATOM 507 C LEU A 37 -7.444 -8.896 5.649 1.00 0.00 C ATOM 508 O LEU A 37 -8.198 -9.800 5.291 1.00 0.00 O ATOM 509 CB LEU A 37 -5.653 -9.270 7.354 1.00 0.00 C ATOM 510 CG LEU A 37 -4.182 -9.456 7.728 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.897 -8.847 9.092 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.809 -10.931 7.712 1.00 0.00 C ATOM 0 H LEU A 37 -5.015 -7.283 5.858 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.698 -10.096 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.022 -8.371 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.219 -10.110 7.757 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.571 -8.940 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.845 -8.989 9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.124 -7.781 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.517 -9.334 9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.759 -11.044 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.427 -11.470 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.974 -11.337 6.714 1.00 0.00 H new ATOM 524 N GLU A 38 -7.859 -7.652 5.872 1.00 0.00 N ATOM 525 CA GLU A 38 -9.257 -7.273 5.705 1.00 0.00 C ATOM 526 C GLU A 38 -9.531 -6.820 4.274 1.00 0.00 C ATOM 527 O GLU A 38 -10.264 -7.476 3.533 1.00 0.00 O ATOM 528 CB GLU A 38 -9.626 -6.156 6.685 1.00 0.00 C ATOM 529 CG GLU A 38 -9.357 -6.508 8.138 1.00 0.00 C ATOM 530 CD GLU A 38 -10.515 -7.244 8.784 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.486 -6.576 9.198 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.451 -8.488 8.875 1.00 0.00 O ATOM 0 H GLU A 38 -7.248 -6.891 6.168 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.872 -8.148 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.064 -5.258 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.683 -5.916 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.460 -7.125 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.154 -5.595 8.698 1.00 0.00 H new ATOM 539 N HIS A 39 -8.938 -5.693 3.892 1.00 0.00 N ATOM 540 CA HIS A 39 -9.118 -5.152 2.550 1.00 0.00 C ATOM 541 C HIS A 39 -8.352 -5.980 1.523 1.00 0.00 C ATOM 542 O HIS A 39 -8.357 -5.668 0.333 1.00 0.00 O ATOM 543 CB HIS A 39 -8.651 -3.696 2.498 1.00 0.00 C ATOM 544 CG HIS A 39 -9.296 -2.824 3.530 1.00 0.00 C ATOM 545 ND1 HIS A 39 -8.786 -1.824 4.288 1.00 0.00 N flip ATOM 546 CD2 HIS A 39 -10.624 -2.931 3.884 1.00 0.00 C flip ATOM 547 CE1 HIS A 39 -9.805 -1.351 5.077 1.00 0.00 C flip ATOM 548 NE2 HIS A 39 -10.904 -2.035 4.814 1.00 0.00 N flip ATOM 0 H HIS A 39 -8.329 -5.137 4.493 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.180 -5.195 2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.570 -3.665 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.861 -3.290 1.508 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.326 -3.637 3.466 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.722 -0.550 5.796 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.814 -1.895 5.254 1.00 0.00 H new ATOM 556 N GLN A 40 -7.696 -7.037 1.992 1.00 0.00 N ATOM 557 CA GLN A 40 -6.926 -7.909 1.114 1.00 0.00 C ATOM 558 C GLN A 40 -6.192 -7.099 0.050 1.00 0.00 C ATOM 559 O GLN A 40 -5.980 -7.571 -1.067 1.00 0.00 O ATOM 560 CB GLN A 40 -7.843 -8.936 0.448 1.00 0.00 C ATOM 561 CG GLN A 40 -8.844 -9.568 1.402 1.00 0.00 C ATOM 562 CD GLN A 40 -8.303 -10.813 2.076 1.00 0.00 C ATOM 563 OE1 GLN A 40 -7.251 -10.780 2.715 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.020 -11.922 1.935 1.00 0.00 N ATOM 0 H GLN A 40 -7.683 -7.310 2.975 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.187 -8.432 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.384 -8.453 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.232 -9.721 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.124 -8.840 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.752 -9.821 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.886 -11.904 1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.704 -12.791 2.365 1.00 0.00 H new ATOM 573 N PHE A 41 -5.807 -5.878 0.404 1.00 0.00 N ATOM 574 CA PHE A 41 -5.098 -5.001 -0.521 1.00 0.00 C ATOM 575 C PHE A 41 -3.632 -4.860 -0.122 1.00 0.00 C ATOM 576 O PHE A 41 -3.310 -4.229 0.884 1.00 0.00 O ATOM 577 CB PHE A 41 -5.762 -3.624 -0.562 1.00 0.00 C ATOM 578 CG PHE A 41 -4.850 -2.533 -1.045 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.724 -2.265 -2.399 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.119 -1.774 -0.145 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.885 -1.262 -2.846 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.278 -0.769 -0.586 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.162 -0.513 -1.939 1.00 0.00 C ATOM 0 H PHE A 41 -5.974 -5.473 1.325 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.144 -5.448 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.636 -3.670 -1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.120 -3.372 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.288 -2.847 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.207 -1.970 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.795 -1.064 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.713 -0.185 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.507 0.272 -2.287 1.00 0.00 H new ATOM 593 N ASN A 42 -2.748 -5.454 -0.917 1.00 0.00 N ATOM 594 CA ASN A 42 -1.317 -5.396 -0.646 1.00 0.00 C ATOM 595 C ASN A 42 -0.674 -4.216 -1.369 1.00 0.00 C ATOM 596 O ASN A 42 -0.842 -4.048 -2.577 1.00 0.00 O ATOM 597 CB ASN A 42 -0.642 -6.700 -1.076 1.00 0.00 C ATOM 598 CG ASN A 42 -0.789 -7.797 -0.039 1.00 0.00 C ATOM 599 OD1 ASN A 42 0.193 -8.239 0.557 1.00 0.00 O ATOM 600 ND2 ASN A 42 -2.021 -8.241 0.181 1.00 0.00 N ATOM 0 H ASN A 42 -2.998 -5.981 -1.754 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.181 -5.261 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.073 -7.035 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.417 -6.515 -1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.183 -8.978 0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.806 -7.845 -0.337 1.00 0.00 H new ATOM 607 N ILE A 43 0.063 -3.401 -0.621 1.00 0.00 N ATOM 608 CA ILE A 43 0.732 -2.238 -1.190 1.00 0.00 C ATOM 609 C ILE A 43 1.929 -2.653 -2.038 1.00 0.00 C ATOM 610 O ILE A 43 2.119 -2.156 -3.148 1.00 0.00 O ATOM 611 CB ILE A 43 1.206 -1.268 -0.092 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.857 -0.033 -0.718 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.178 -1.967 0.848 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.868 0.907 -1.369 1.00 0.00 C ATOM 0 H ILE A 43 0.212 -3.525 0.380 1.00 0.00 H new ATOM 0 HA ILE A 43 0.002 -1.731 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 43 0.340 -0.945 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.407 0.508 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.585 -0.354 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.504 -1.269 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.683 -2.818 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.043 -2.315 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.400 1.759 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.335 0.382 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.154 1.258 -0.623 1.00 0.00 H new ATOM 626 N ASP A 44 2.734 -3.568 -1.508 1.00 0.00 N ATOM 627 CA ASP A 44 3.912 -4.053 -2.217 1.00 0.00 C ATOM 628 C ASP A 44 3.558 -4.459 -3.645 1.00 0.00 C ATOM 629 O ASP A 44 4.149 -3.967 -4.605 1.00 0.00 O ATOM 630 CB ASP A 44 4.528 -5.239 -1.474 1.00 0.00 C ATOM 631 CG ASP A 44 5.228 -6.207 -2.408 1.00 0.00 C ATOM 632 OD1 ASP A 44 4.550 -7.104 -2.951 1.00 0.00 O ATOM 633 OD2 ASP A 44 6.455 -6.067 -2.597 1.00 0.00 O ATOM 0 H ASP A 44 2.592 -3.989 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 44 4.640 -3.243 -2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.241 -4.871 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.747 -5.767 -0.927 1.00 0.00 H new ATOM 638 N SER A 45 2.591 -5.361 -3.775 1.00 0.00 N ATOM 639 CA SER A 45 2.161 -5.838 -5.085 1.00 0.00 C ATOM 640 C SER A 45 1.897 -4.668 -6.028 1.00 0.00 C ATOM 641 O SER A 45 2.299 -4.692 -7.191 1.00 0.00 O ATOM 642 CB SER A 45 0.902 -6.695 -4.951 1.00 0.00 C ATOM 643 OG SER A 45 0.638 -7.405 -6.149 1.00 0.00 O ATOM 0 H SER A 45 2.090 -5.777 -2.990 1.00 0.00 H new ATOM 0 HA SER A 45 2.962 -6.447 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.023 -7.398 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.051 -6.060 -4.706 1.00 0.00 H new ATOM 0 HG SER A 45 -0.171 -7.946 -6.037 1.00 0.00 H new ATOM 649 N MET A 46 1.217 -3.647 -5.518 1.00 0.00 N ATOM 650 CA MET A 46 0.899 -2.467 -6.314 1.00 0.00 C ATOM 651 C MET A 46 2.171 -1.787 -6.811 1.00 0.00 C ATOM 652 O MET A 46 2.300 -1.479 -7.996 1.00 0.00 O ATOM 653 CB MET A 46 0.067 -1.480 -5.492 1.00 0.00 C ATOM 654 CG MET A 46 -1.286 -2.030 -5.071 1.00 0.00 C ATOM 655 SD MET A 46 -2.293 -2.548 -6.474 1.00 0.00 S ATOM 656 CE MET A 46 -2.848 -0.962 -7.095 1.00 0.00 C ATOM 0 H MET A 46 0.875 -3.613 -4.557 1.00 0.00 H new ATOM 0 HA MET A 46 0.319 -2.789 -7.179 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.628 -1.198 -4.601 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.085 -0.571 -6.075 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.137 -2.878 -4.403 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.823 -1.269 -4.505 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.910 -1.016 -7.333 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.685 -0.197 -6.336 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.287 -0.707 -7.994 1.00 0.00 H new ATOM 666 N VAL A 47 3.109 -1.555 -5.897 1.00 0.00 N ATOM 667 CA VAL A 47 4.371 -0.913 -6.243 1.00 0.00 C ATOM 668 C VAL A 47 5.053 -1.629 -7.403 1.00 0.00 C ATOM 669 O VAL A 47 5.440 -1.005 -8.391 1.00 0.00 O ATOM 670 CB VAL A 47 5.331 -0.879 -5.039 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.663 -0.259 -5.436 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.705 -0.120 -3.880 1.00 0.00 C ATOM 0 H VAL A 47 3.018 -1.802 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 47 4.135 0.109 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 47 5.516 -1.903 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.329 -0.243 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.116 -0.849 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.500 0.760 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.397 -0.106 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.489 0.903 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.779 -0.612 -3.581 1.00 0.00 H new ATOM 682 N HIS A 48 5.196 -2.945 -7.277 1.00 0.00 N ATOM 683 CA HIS A 48 5.830 -3.748 -8.316 1.00 0.00 C ATOM 684 C HIS A 48 4.987 -3.755 -9.588 1.00 0.00 C ATOM 685 O HIS A 48 5.512 -3.622 -10.694 1.00 0.00 O ATOM 686 CB HIS A 48 6.044 -5.180 -7.824 1.00 0.00 C ATOM 687 CG HIS A 48 7.105 -5.301 -6.775 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.438 -5.049 -7.020 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.023 -5.647 -5.469 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.131 -5.238 -5.911 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.296 -5.601 -4.955 1.00 0.00 N ATOM 0 H HIS A 48 4.881 -3.477 -6.466 1.00 0.00 H new ATOM 0 HA HIS A 48 6.798 -3.302 -8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.105 -5.562 -7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.310 -5.811 -8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.124 -5.910 -4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.199 -5.116 -5.805 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.554 -5.813 -3.991 1.00 0.00 H new ATOM 699 N LYS A 49 3.678 -3.912 -9.424 1.00 0.00 N ATOM 700 CA LYS A 49 2.762 -3.936 -10.558 1.00 0.00 C ATOM 701 C LYS A 49 2.906 -2.672 -11.400 1.00 0.00 C ATOM 702 O LYS A 49 3.409 -2.717 -12.523 1.00 0.00 O ATOM 703 CB LYS A 49 1.318 -4.074 -10.070 1.00 0.00 C ATOM 704 CG LYS A 49 0.386 -4.695 -11.096 1.00 0.00 C ATOM 705 CD LYS A 49 -1.003 -4.922 -10.523 1.00 0.00 C ATOM 706 CE LYS A 49 -1.880 -3.690 -10.682 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.329 -4.033 -10.652 1.00 0.00 N ATOM 0 H LYS A 49 3.227 -4.025 -8.516 1.00 0.00 H new ATOM 0 HA LYS A 49 3.014 -4.796 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.306 -4.682 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.940 -3.089 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.319 -4.045 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.799 -5.644 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.470 -5.770 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.924 -5.180 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.658 -2.981 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.643 -3.195 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.893 -3.166 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.546 -4.690 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.561 -4.482 -9.743 1.00 0.00 H new ATOM 721 N HIS A 50 2.463 -1.546 -10.851 1.00 0.00 N ATOM 722 CA HIS A 50 2.545 -0.269 -11.552 1.00 0.00 C ATOM 723 C HIS A 50 3.899 0.394 -11.316 1.00 0.00 C ATOM 724 O HIS A 50 4.031 1.612 -11.421 1.00 0.00 O ATOM 725 CB HIS A 50 1.422 0.661 -11.093 1.00 0.00 C ATOM 726 CG HIS A 50 0.057 0.197 -11.498 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.340 0.082 -12.813 1.00 0.00 N ATOM 728 CD2 HIS A 50 -1.006 -0.185 -10.751 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.589 -0.348 -12.858 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.016 -0.519 -11.620 1.00 0.00 N ATOM 0 H HIS A 50 2.043 -1.491 -9.923 1.00 0.00 H new ATOM 0 HA HIS A 50 2.435 -0.460 -12.619 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.458 0.753 -10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.595 1.656 -11.503 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.051 -0.220 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.163 -0.529 -13.755 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.945 -0.846 -11.353 1.00 0.00 H new ATOM 738 N GLY A 51 4.903 -0.418 -10.997 1.00 0.00 N ATOM 739 CA GLY A 51 6.232 0.108 -10.751 1.00 0.00 C ATOM 740 C GLY A 51 6.203 1.472 -10.090 1.00 0.00 C ATOM 741 O GLY A 51 6.930 2.381 -10.493 1.00 0.00 O ATOM 0 H GLY A 51 4.819 -1.430 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.783 -0.587 -10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.773 0.177 -11.695 1.00 0.00 H new ATOM 745 N LEU A 52 5.360 1.617 -9.074 1.00 0.00 N ATOM 746 CA LEU A 52 5.237 2.881 -8.356 1.00 0.00 C ATOM 747 C LEU A 52 6.605 3.388 -7.907 1.00 0.00 C ATOM 748 O LEU A 52 7.100 3.008 -6.847 1.00 0.00 O ATOM 749 CB LEU A 52 4.320 2.715 -7.143 1.00 0.00 C ATOM 750 CG LEU A 52 2.904 2.218 -7.436 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.162 1.924 -6.141 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.142 3.239 -8.269 1.00 0.00 C ATOM 0 H LEU A 52 4.751 0.875 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 52 4.802 3.615 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.791 2.019 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.248 3.675 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 52 2.976 1.293 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.156 1.572 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.697 1.157 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.100 2.833 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.136 2.869 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.081 4.181 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.663 3.400 -9.213 1.00 0.00 H new ATOM 764 N GLU A 53 7.207 4.249 -8.722 1.00 0.00 N ATOM 765 CA GLU A 53 8.516 4.808 -8.407 1.00 0.00 C ATOM 766 C GLU A 53 8.462 5.633 -7.124 1.00 0.00 C ATOM 767 O GLU A 53 7.393 5.833 -6.546 1.00 0.00 O ATOM 768 CB GLU A 53 9.016 5.677 -9.564 1.00 0.00 C ATOM 769 CG GLU A 53 9.465 4.877 -10.775 1.00 0.00 C ATOM 770 CD GLU A 53 10.288 5.702 -11.746 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.702 6.555 -12.444 1.00 0.00 O ATOM 772 OE2 GLU A 53 11.518 5.494 -11.808 1.00 0.00 O ATOM 0 H GLU A 53 6.810 4.574 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 53 9.209 3.980 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.221 6.360 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.847 6.289 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.052 4.021 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.589 4.483 -11.290 1.00 0.00 H new ATOM 779 N PHE A 54 9.622 6.109 -6.684 1.00 0.00 N ATOM 780 CA PHE A 54 9.707 6.911 -5.469 1.00 0.00 C ATOM 781 C PHE A 54 8.465 7.782 -5.303 1.00 0.00 C ATOM 782 O PHE A 54 7.812 7.758 -4.260 1.00 0.00 O ATOM 783 CB PHE A 54 10.960 7.790 -5.500 1.00 0.00 C ATOM 784 CG PHE A 54 10.914 8.933 -4.527 1.00 0.00 C ATOM 785 CD1 PHE A 54 11.175 8.726 -3.182 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.609 10.214 -4.957 1.00 0.00 C ATOM 787 CE1 PHE A 54 11.134 9.776 -2.284 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.567 11.268 -4.064 1.00 0.00 C ATOM 789 CZ PHE A 54 10.828 11.049 -2.726 1.00 0.00 C ATOM 0 H PHE A 54 10.516 5.953 -7.150 1.00 0.00 H new ATOM 0 HA PHE A 54 9.768 6.232 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.832 7.173 -5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.092 8.186 -6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.413 7.733 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.402 10.391 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.341 9.602 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.330 12.262 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.793 11.871 -2.026 1.00 0.00 H new ATOM 799 N TYR A 55 8.147 8.550 -6.339 1.00 0.00 N ATOM 800 CA TYR A 55 6.985 9.431 -6.308 1.00 0.00 C ATOM 801 C TYR A 55 5.699 8.646 -6.545 1.00 0.00 C ATOM 802 O TYR A 55 4.729 8.782 -5.800 1.00 0.00 O ATOM 803 CB TYR A 55 7.125 10.531 -7.362 1.00 0.00 C ATOM 804 CG TYR A 55 7.909 11.732 -6.883 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.390 12.585 -5.916 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.169 12.014 -7.397 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.103 13.684 -5.477 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.889 13.110 -6.962 1.00 0.00 C ATOM 809 CZ TYR A 55 9.352 13.942 -6.002 1.00 0.00 C ATOM 810 OH TYR A 55 10.065 15.035 -5.566 1.00 0.00 O ATOM 0 H TYR A 55 8.677 8.581 -7.210 1.00 0.00 H new ATOM 0 HA TYR A 55 6.934 9.887 -5.320 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.613 10.117 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.131 10.856 -7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.413 12.385 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.593 11.365 -8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.684 14.338 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.867 13.314 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 55 10.925 15.073 -6.035 1.00 0.00 H new ATOM 820 N GLY A 56 5.699 7.822 -7.588 1.00 0.00 N ATOM 821 CA GLY A 56 4.528 7.026 -7.906 1.00 0.00 C ATOM 822 C GLY A 56 3.837 6.493 -6.666 1.00 0.00 C ATOM 823 O GLY A 56 2.632 6.678 -6.492 1.00 0.00 O ATOM 0 H GLY A 56 6.490 7.691 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.825 7.631 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.821 6.191 -8.542 1.00 0.00 H new ATOM 827 N TYR A 57 4.599 5.829 -5.805 1.00 0.00 N ATOM 828 CA TYR A 57 4.051 5.264 -4.578 1.00 0.00 C ATOM 829 C TYR A 57 3.264 6.313 -3.798 1.00 0.00 C ATOM 830 O TYR A 57 2.136 6.068 -3.370 1.00 0.00 O ATOM 831 CB TYR A 57 5.174 4.700 -3.705 1.00 0.00 C ATOM 832 CG TYR A 57 4.770 4.485 -2.264 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.939 3.431 -1.905 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.220 5.335 -1.261 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.567 3.230 -0.590 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.854 5.141 0.057 1.00 0.00 C ATOM 837 CZ TYR A 57 4.028 4.088 0.388 1.00 0.00 C ATOM 838 OH TYR A 57 3.661 3.892 1.699 1.00 0.00 O ATOM 0 H TYR A 57 5.598 5.669 -5.934 1.00 0.00 H new ATOM 0 HA TYR A 57 3.372 4.457 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.508 3.751 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.025 5.381 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.578 2.757 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.867 6.161 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.919 2.406 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.213 5.811 0.824 1.00 0.00 H new ATOM 0 HH TYR A 57 4.320 4.313 2.290 1.00 0.00 H new ATOM 848 N ILE A 58 3.868 7.483 -3.620 1.00 0.00 N ATOM 849 CA ILE A 58 3.224 8.572 -2.894 1.00 0.00 C ATOM 850 C ILE A 58 1.827 8.845 -3.439 1.00 0.00 C ATOM 851 O ILE A 58 0.864 8.963 -2.681 1.00 0.00 O ATOM 852 CB ILE A 58 4.055 9.866 -2.968 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.468 9.623 -2.436 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.372 10.979 -2.186 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.404 10.792 -2.650 1.00 0.00 C ATOM 0 H ILE A 58 4.802 7.702 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 58 3.149 8.257 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 58 4.129 10.173 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.413 9.402 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.884 8.741 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.971 11.887 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.384 11.167 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.271 10.681 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.388 10.549 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.489 11.000 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.011 11.671 -2.140 1.00 0.00 H new ATOM 867 N LYS A 59 1.722 8.944 -4.760 1.00 0.00 N ATOM 868 CA LYS A 59 0.442 9.200 -5.410 1.00 0.00 C ATOM 869 C LYS A 59 -0.566 8.104 -5.078 1.00 0.00 C ATOM 870 O LYS A 59 -1.745 8.379 -4.853 1.00 0.00 O ATOM 871 CB LYS A 59 0.626 9.296 -6.926 1.00 0.00 C ATOM 872 CG LYS A 59 1.545 10.427 -7.357 1.00 0.00 C ATOM 873 CD LYS A 59 1.495 10.643 -8.860 1.00 0.00 C ATOM 874 CE LYS A 59 2.693 11.443 -9.348 1.00 0.00 C ATOM 875 NZ LYS A 59 2.869 11.336 -10.823 1.00 0.00 N ATOM 0 H LYS A 59 2.509 8.851 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 59 0.057 10.149 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.027 8.352 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.349 9.433 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.257 11.346 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.568 10.202 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.470 9.678 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.575 11.166 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.567 12.490 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.594 11.088 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.696 11.895 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.015 10.340 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.019 11.698 -11.301 1.00 0.00 H new ATOM 889 N LEU A 60 -0.094 6.863 -5.048 1.00 0.00 N ATOM 890 CA LEU A 60 -0.954 5.725 -4.741 1.00 0.00 C ATOM 891 C LEU A 60 -1.618 5.895 -3.378 1.00 0.00 C ATOM 892 O LEU A 60 -2.828 5.713 -3.239 1.00 0.00 O ATOM 893 CB LEU A 60 -0.145 4.427 -4.768 1.00 0.00 C ATOM 894 CG LEU A 60 -0.942 3.135 -4.584 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.248 2.903 -3.112 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.227 3.180 -5.398 1.00 0.00 C ATOM 0 H LEU A 60 0.879 6.619 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.734 5.676 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.384 4.372 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.612 4.478 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.337 2.303 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.816 1.979 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.315 2.826 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.833 3.738 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.781 2.252 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.837 4.021 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.985 3.299 -6.454 1.00 0.00 H new ATOM 908 N ILE A 61 -0.819 6.248 -2.377 1.00 0.00 N ATOM 909 CA ILE A 61 -1.330 6.447 -1.026 1.00 0.00 C ATOM 910 C ILE A 61 -2.364 7.567 -0.989 1.00 0.00 C ATOM 911 O ILE A 61 -3.545 7.327 -0.740 1.00 0.00 O ATOM 912 CB ILE A 61 -0.196 6.777 -0.038 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.795 5.614 0.042 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.766 7.090 1.337 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.137 4.276 0.298 1.00 0.00 C ATOM 0 H ILE A 61 0.184 6.402 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.801 5.511 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 61 0.335 7.658 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.357 5.561 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.514 5.814 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.048 7.321 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.436 7.947 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.319 6.226 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.899 3.498 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.402 4.311 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.561 4.054 -0.509 1.00 0.00 H new ATOM 927 N ASN A 62 -1.912 8.791 -1.240 1.00 0.00 N ATOM 928 CA ASN A 62 -2.798 9.949 -1.237 1.00 0.00 C ATOM 929 C ASN A 62 -4.016 9.705 -2.123 1.00 0.00 C ATOM 930 O ASN A 62 -5.134 10.090 -1.781 1.00 0.00 O ATOM 931 CB ASN A 62 -2.047 11.194 -1.714 1.00 0.00 C ATOM 932 CG ASN A 62 -0.968 11.626 -0.740 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.163 11.593 0.475 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.179 12.035 -1.272 1.00 0.00 N ATOM 0 H ASN A 62 -0.937 9.007 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.141 10.110 -0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.596 10.993 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.755 12.011 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.942 12.338 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.296 12.046 -2.285 1.00 0.00 H new ATOM 941 N PHE A 63 -3.790 9.063 -3.265 1.00 0.00 N ATOM 942 CA PHE A 63 -4.868 8.767 -4.202 1.00 0.00 C ATOM 943 C PHE A 63 -6.069 8.167 -3.477 1.00 0.00 C ATOM 944 O PHE A 63 -7.191 8.659 -3.600 1.00 0.00 O ATOM 945 CB PHE A 63 -4.380 7.806 -5.287 1.00 0.00 C ATOM 946 CG PHE A 63 -5.490 7.218 -6.110 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.123 7.973 -7.084 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.901 5.910 -5.910 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.145 7.435 -7.844 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.922 5.366 -6.667 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.545 6.130 -7.634 1.00 0.00 C ATOM 0 H PHE A 63 -2.870 8.738 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.178 9.702 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.691 8.334 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.818 6.998 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.814 8.994 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.418 5.308 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.630 8.034 -8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.232 4.345 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.344 5.708 -8.225 1.00 0.00 H new ATOM 961 N ILE A 64 -5.825 7.101 -2.722 1.00 0.00 N ATOM 962 CA ILE A 64 -6.885 6.434 -1.977 1.00 0.00 C ATOM 963 C ILE A 64 -7.472 7.355 -0.912 1.00 0.00 C ATOM 964 O ILE A 64 -8.602 7.160 -0.464 1.00 0.00 O ATOM 965 CB ILE A 64 -6.375 5.147 -1.302 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.605 4.288 -2.307 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.536 4.365 -0.707 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.025 3.027 -1.706 1.00 0.00 C ATOM 0 H ILE A 64 -4.902 6.681 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.661 6.174 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.697 5.422 -0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.271 4.017 -3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.797 4.881 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.159 3.458 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.045 4.978 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.237 4.097 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.493 2.468 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.333 3.290 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.830 2.413 -1.302 1.00 0.00 H new ATOM 980 N ARG A 65 -6.698 8.359 -0.514 1.00 0.00 N ATOM 981 CA ARG A 65 -7.142 9.311 0.497 1.00 0.00 C ATOM 982 C ARG A 65 -8.100 10.335 -0.103 1.00 0.00 C ATOM 983 O ARG A 65 -9.092 10.714 0.520 1.00 0.00 O ATOM 984 CB ARG A 65 -5.940 10.023 1.120 1.00 0.00 C ATOM 985 CG ARG A 65 -4.853 9.077 1.601 1.00 0.00 C ATOM 986 CD ARG A 65 -5.188 8.490 2.963 1.00 0.00 C ATOM 987 NE ARG A 65 -3.988 8.185 3.738 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.001 7.489 4.869 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.145 7.027 5.354 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.867 7.253 5.517 1.00 0.00 N ATOM 0 H ARG A 65 -5.761 8.534 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.670 8.758 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.515 10.709 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.282 10.627 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.724 8.271 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.904 9.610 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.809 9.193 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.775 7.581 2.832 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.091 8.525 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.018 7.206 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.152 6.493 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.985 7.606 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.878 6.718 6.386 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.796 10.781 -1.317 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.629 11.762 -2.003 1.00 0.00 C ATOM 1006 C LEU A 66 -9.844 11.095 -2.639 1.00 0.00 C ATOM 1007 O LEU A 66 -10.972 11.569 -2.497 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.815 12.492 -3.073 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.487 13.707 -3.715 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.455 14.771 -4.054 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.259 13.293 -4.960 1.00 0.00 C ATOM 0 H LEU A 66 -6.978 10.479 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.979 12.484 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.874 12.815 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.567 11.781 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.192 14.130 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.952 15.628 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.947 15.088 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.725 14.361 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.731 14.170 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.574 12.845 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.025 12.567 -4.688 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.608 9.991 -3.340 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.683 9.256 -3.995 1.00 0.00 C ATOM 1025 C LYS A 67 -11.359 8.297 -3.021 1.00 0.00 C ATOM 1026 O LYS A 67 -12.555 8.408 -2.755 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.138 8.479 -5.196 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.372 9.343 -6.183 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.294 10.306 -6.913 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.765 9.730 -8.239 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.973 8.876 -8.075 1.00 0.00 N ATOM 0 H LYS A 67 -8.681 9.586 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.424 9.977 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.484 7.685 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.968 7.999 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.602 9.905 -5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.863 8.706 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.157 10.531 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.773 11.247 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.986 10.543 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.963 9.142 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.467 8.795 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.688 7.930 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.609 9.306 -7.373 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.585 7.356 -2.490 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.110 6.378 -1.544 1.00 0.00 C ATOM 1047 C ASN A 68 -11.950 5.325 -2.260 1.00 0.00 C ATOM 1048 O ASN A 68 -13.102 5.070 -1.909 1.00 0.00 O ATOM 1049 CB ASN A 68 -11.950 7.075 -0.472 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.915 6.344 0.856 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -12.607 5.344 1.046 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.105 6.841 1.783 1.00 0.00 N ATOM 0 H ASN A 68 -9.592 7.250 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.265 5.880 -1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.585 8.093 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.982 7.150 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.038 6.391 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.549 7.672 1.582 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.361 4.697 -3.288 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.036 3.660 -4.075 1.00 0.00 C ATOM 1061 C PRO A 69 -12.244 2.374 -3.282 1.00 0.00 C ATOM 1062 O PRO A 69 -12.057 2.345 -2.065 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.076 3.419 -5.242 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.739 3.820 -4.722 1.00 0.00 C ATOM 1065 CD PRO A 69 -9.990 4.950 -3.762 1.00 0.00 C ATOM 0 HA PRO A 69 -13.035 3.968 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.083 2.374 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.356 4.011 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.248 2.985 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.083 4.136 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.274 4.946 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.907 5.920 -4.252 1.00 0.00 H new ATOM 1073 N THR A 70 -12.632 1.311 -3.978 1.00 0.00 N ATOM 1074 CA THR A 70 -12.867 0.022 -3.339 1.00 0.00 C ATOM 1075 C THR A 70 -11.851 -1.015 -3.805 1.00 0.00 C ATOM 1076 O THR A 70 -11.458 -1.033 -4.971 1.00 0.00 O ATOM 1077 CB THR A 70 -14.287 -0.499 -3.630 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.484 -1.765 -2.990 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.515 -0.642 -5.127 1.00 0.00 C ATOM 0 H THR A 70 -12.790 1.317 -4.986 1.00 0.00 H new ATOM 0 HA THR A 70 -12.758 0.176 -2.265 1.00 0.00 H new ATOM 0 HB THR A 70 -15.003 0.223 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.390 -2.089 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.524 -1.011 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.392 0.328 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.792 -1.346 -5.540 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.431 -1.879 -2.886 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.463 -2.922 -3.204 1.00 0.00 C ATOM 1089 C VAL A 71 -10.657 -3.438 -4.625 1.00 0.00 C ATOM 1090 O VAL A 71 -9.773 -3.302 -5.471 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.568 -4.103 -2.221 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.624 -5.224 -2.631 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.276 -3.643 -0.801 1.00 0.00 C ATOM 0 H VAL A 71 -11.746 -1.877 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.474 -2.473 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.587 -4.488 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.712 -6.050 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.885 -5.572 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.599 -4.854 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.355 -4.491 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.268 -3.231 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.996 -2.877 -0.511 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.819 -4.031 -4.880 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.128 -4.568 -6.200 1.00 0.00 C ATOM 1105 C GLU A 72 -11.582 -3.660 -7.298 1.00 0.00 C ATOM 1106 O GLU A 72 -11.012 -4.132 -8.282 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.640 -4.735 -6.365 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.030 -5.914 -7.241 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.315 -5.670 -8.009 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -15.389 -4.656 -8.735 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.245 -6.494 -7.885 1.00 0.00 O ATOM 0 H GLU A 72 -12.561 -4.152 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.650 -5.544 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.093 -4.859 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.053 -3.822 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.224 -6.121 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.146 -6.802 -6.619 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.762 -2.356 -7.123 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.291 -1.381 -8.100 1.00 0.00 C ATOM 1120 C TYR A 73 -9.771 -1.426 -8.224 1.00 0.00 C ATOM 1121 O TYR A 73 -9.230 -1.555 -9.322 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.740 0.026 -7.705 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.273 1.102 -8.659 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -12.000 1.407 -9.803 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.104 1.813 -8.417 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.576 2.388 -10.679 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.673 2.797 -9.286 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.412 3.080 -10.416 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.987 4.059 -11.284 1.00 0.00 O ATOM 0 H TYR A 73 -12.231 -1.949 -6.314 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.725 -1.635 -9.067 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.828 0.049 -7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.366 0.251 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.912 0.868 -10.011 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.522 1.593 -7.534 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.153 2.612 -11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.763 3.341 -9.082 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.783 4.876 -10.782 1.00 0.00 H new ATOM 1139 N MET A 74 -9.087 -1.318 -7.089 1.00 0.00 N ATOM 1140 CA MET A 74 -7.630 -1.348 -7.069 1.00 0.00 C ATOM 1141 C MET A 74 -7.094 -2.408 -8.026 1.00 0.00 C ATOM 1142 O MET A 74 -6.003 -2.268 -8.575 1.00 0.00 O ATOM 1143 CB MET A 74 -7.123 -1.620 -5.652 1.00 0.00 C ATOM 1144 CG MET A 74 -6.870 -0.358 -4.843 1.00 0.00 C ATOM 1145 SD MET A 74 -5.340 0.472 -5.312 1.00 0.00 S ATOM 1146 CE MET A 74 -5.803 2.188 -5.088 1.00 0.00 C ATOM 0 H MET A 74 -9.519 -1.209 -6.172 1.00 0.00 H new ATOM 0 HA MET A 74 -7.268 -0.373 -7.395 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.851 -2.238 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.199 -2.196 -5.710 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.707 0.328 -4.976 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.831 -0.612 -3.784 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.959 2.742 -4.676 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.084 2.617 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.648 2.250 -4.402 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.871 -3.469 -8.220 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.474 -4.554 -9.110 1.00 0.00 C ATOM 1158 C ASN A 75 -7.788 -4.209 -10.563 1.00 0.00 C ATOM 1159 O ASN A 75 -7.021 -4.533 -11.469 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.185 -5.851 -8.717 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.722 -6.379 -7.373 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.523 -6.497 -7.119 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.673 -6.700 -6.504 1.00 0.00 N ATOM 0 H ASN A 75 -8.778 -3.600 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.397 -4.694 -9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.261 -5.677 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.007 -6.606 -9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.422 -7.061 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.655 -6.586 -6.757 1.00 0.00 H new ATOM 1170 N SER A 76 -8.922 -3.550 -10.776 1.00 0.00 N ATOM 1171 CA SER A 76 -9.341 -3.163 -12.118 1.00 0.00 C ATOM 1172 C SER A 76 -8.767 -1.800 -12.495 1.00 0.00 C ATOM 1173 O SER A 76 -9.496 -0.904 -12.921 1.00 0.00 O ATOM 1174 CB SER A 76 -10.868 -3.129 -12.210 1.00 0.00 C ATOM 1175 OG SER A 76 -11.304 -3.351 -13.539 1.00 0.00 O ATOM 0 H SER A 76 -9.567 -3.273 -10.036 1.00 0.00 H new ATOM 0 HA SER A 76 -8.959 -3.905 -12.819 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.292 -3.889 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.235 -2.164 -11.860 1.00 0.00 H new ATOM 0 HG SER A 76 -12.283 -3.326 -13.571 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.456 -1.653 -12.334 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.784 -0.401 -12.658 1.00 0.00 C ATOM 1183 C ILE A 77 -5.668 -0.623 -13.674 1.00 0.00 C ATOM 1184 O ILE A 77 -4.871 -1.552 -13.543 1.00 0.00 O ATOM 1185 CB ILE A 77 -6.192 0.262 -11.400 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -7.312 0.810 -10.512 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.227 1.372 -11.790 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -6.808 1.560 -9.299 1.00 0.00 C ATOM 0 H ILE A 77 -6.839 -2.385 -11.982 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.537 0.260 -13.087 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.640 -0.490 -10.836 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.942 1.474 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.941 -0.017 -10.183 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.817 1.831 -10.890 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.416 0.956 -12.387 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.756 2.126 -12.373 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.656 1.920 -8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.202 0.894 -8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.203 2.408 -9.621 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.617 0.238 -14.685 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.599 0.136 -15.724 1.00 0.00 C ATOM 1202 C TYR A 78 -4.166 1.519 -16.200 1.00 0.00 C ATOM 1203 O TYR A 78 -4.891 2.499 -16.037 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.127 -0.680 -16.905 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.075 0.089 -17.797 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.267 0.601 -17.299 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -5.779 0.304 -19.137 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.137 1.303 -18.110 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -6.642 1.007 -19.956 1.00 0.00 C ATOM 1210 CZ TYR A 78 -7.820 1.504 -19.437 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.683 2.204 -20.248 1.00 0.00 O ATOM 0 H TYR A 78 -6.268 1.014 -14.807 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.732 -0.370 -15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.283 -1.029 -17.501 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.637 -1.565 -16.525 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.517 0.447 -16.260 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.858 -0.085 -19.546 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.060 1.692 -17.707 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.396 1.166 -20.995 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.311 2.257 -21.153 1.00 0.00 H new ATOM 1221 N ASN A 79 -2.977 1.589 -16.790 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.445 2.852 -17.290 1.00 0.00 C ATOM 1223 C ASN A 79 -3.273 3.362 -18.466 1.00 0.00 C ATOM 1224 O ASN A 79 -3.652 2.609 -19.364 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.985 2.682 -17.715 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.173 1.907 -16.695 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.123 2.409 -15.610 1.00 0.00 O ATOM 1228 ND2 ASN A 79 0.191 0.677 -17.040 1.00 0.00 N ATOM 0 H ASN A 79 -2.364 0.787 -16.934 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.499 3.585 -16.485 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.946 2.166 -18.674 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.536 3.664 -17.863 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.739 0.107 -16.395 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.077 0.302 -17.950 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.559 4.673 -18.464 1.00 0.00 N ATOM 1236 CA PRO A 80 -3.113 5.578 -17.401 1.00 0.00 C ATOM 1237 C PRO A 80 -3.829 5.320 -16.080 1.00 0.00 C ATOM 1238 O PRO A 80 -5.035 5.074 -16.055 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.472 6.964 -17.942 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.596 6.721 -18.889 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.340 5.371 -19.499 1.00 0.00 C ATOM 0 HA PRO A 80 -2.053 5.453 -17.178 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.770 7.638 -17.139 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.622 7.425 -18.446 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.554 6.739 -18.370 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.634 7.495 -19.656 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.270 4.848 -19.722 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.787 5.451 -20.435 1.00 0.00 H new ATOM 1249 N VAL A 81 -3.080 5.377 -14.984 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.644 5.151 -13.659 1.00 0.00 C ATOM 1251 C VAL A 81 -4.450 6.357 -13.192 1.00 0.00 C ATOM 1252 O VAL A 81 -4.178 7.499 -13.563 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.544 4.850 -12.624 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.742 3.625 -13.038 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.635 6.057 -12.447 1.00 0.00 C ATOM 0 H VAL A 81 -2.080 5.578 -14.988 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.303 4.286 -13.739 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.019 4.637 -11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.969 3.428 -12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.405 2.763 -13.110 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.276 3.806 -14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.864 5.827 -11.712 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.167 6.303 -13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.223 6.908 -12.102 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.468 6.101 -12.356 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.335 7.154 -11.818 1.00 0.00 C ATOM 1267 C PRO A 82 -5.609 8.047 -10.818 1.00 0.00 C ATOM 1268 O PRO A 82 -6.197 8.973 -10.259 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.453 6.372 -11.124 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.840 5.059 -10.779 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.850 4.764 -11.872 1.00 0.00 C ATOM 0 HA PRO A 82 -6.689 7.829 -12.597 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.804 6.891 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.314 6.246 -11.780 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.348 5.102 -9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.598 4.278 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.989 4.212 -11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.294 4.161 -12.664 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.331 7.764 -10.598 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.525 8.543 -9.664 1.00 0.00 C ATOM 1281 C TRP A 83 -2.288 9.109 -10.353 1.00 0.00 C ATOM 1282 O TRP A 83 -1.331 9.513 -9.695 1.00 0.00 O ATOM 1283 CB TRP A 83 -3.110 7.679 -8.473 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.154 6.584 -8.838 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.826 6.718 -9.130 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.452 5.188 -8.951 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.282 5.490 -9.418 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.259 4.535 -9.314 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.611 4.427 -8.779 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.194 3.158 -9.509 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.545 3.060 -8.973 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.343 2.437 -9.334 1.00 0.00 C ATOM 0 H TRP A 83 -3.830 7.001 -11.053 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.131 9.375 -9.306 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.652 8.314 -7.715 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -4.001 7.239 -8.024 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.284 7.652 -9.134 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.691 5.317 -9.669 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.542 4.898 -8.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.269 2.676 -9.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.435 2.462 -8.844 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.323 1.367 -9.477 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.316 9.135 -11.682 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.195 9.651 -12.459 1.00 0.00 C ATOM 1305 C GLU A 84 -1.272 11.170 -12.581 1.00 0.00 C ATOM 1306 O GLU A 84 -0.916 11.741 -13.612 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.176 9.017 -13.852 1.00 0.00 C ATOM 1308 CG GLU A 84 0.223 8.817 -14.410 1.00 0.00 C ATOM 1309 CD GLU A 84 0.848 10.111 -14.895 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.323 10.698 -15.864 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.863 10.537 -14.304 1.00 0.00 O ATOM 0 H GLU A 84 -3.102 8.805 -12.242 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.274 9.391 -11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.683 8.053 -13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.745 9.647 -14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.858 8.377 -13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.183 8.106 -15.235 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.740 11.820 -11.521 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.864 13.273 -11.506 1.00 0.00 C ATOM 1320 C LYS A 85 -0.797 13.901 -10.615 1.00 0.00 C ATOM 1321 O LYS A 85 0.002 13.197 -9.996 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.256 13.682 -11.019 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.387 12.988 -11.758 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.472 13.447 -13.204 1.00 0.00 C ATOM 1325 CE LYS A 85 -4.858 14.915 -13.301 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.588 15.214 -14.564 1.00 0.00 N ATOM 0 H LYS A 85 -2.040 11.363 -10.660 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.721 13.635 -12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.339 13.461 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.368 14.760 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.236 11.909 -11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.332 13.193 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.511 13.289 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.205 12.841 -13.737 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.482 15.184 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.960 15.531 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.833 16.224 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.983 14.982 -15.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.458 14.645 -14.605 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.790 15.228 -10.554 1.00 0.00 N ATOM 1341 CA ASP A 86 0.177 15.951 -9.736 1.00 0.00 C ATOM 1342 C ASP A 86 -0.410 16.285 -8.368 1.00 0.00 C ATOM 1343 O ASP A 86 0.275 16.197 -7.350 1.00 0.00 O ATOM 1344 CB ASP A 86 0.618 17.233 -10.443 1.00 0.00 C ATOM 1345 CG ASP A 86 0.662 17.077 -11.951 1.00 0.00 C ATOM 1346 OD1 ASP A 86 1.495 16.286 -12.440 1.00 0.00 O ATOM 1347 OD2 ASP A 86 -0.135 17.746 -12.640 1.00 0.00 O ATOM 0 H ASP A 86 -1.443 15.825 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 86 1.046 15.309 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.066 18.041 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.605 17.523 -10.082 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.682 16.671 -8.354 1.00 0.00 N ATOM 1353 CA GLU A 87 -2.360 17.021 -7.111 1.00 0.00 C ATOM 1354 C GLU A 87 -2.174 15.927 -6.064 1.00 0.00 C ATOM 1355 O GLU A 87 -2.057 16.208 -4.871 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.851 17.250 -7.365 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.134 18.349 -8.376 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.548 18.887 -8.272 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.478 18.079 -8.069 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.724 20.118 -8.393 1.00 0.00 O ATOM 0 H GLU A 87 -2.263 16.749 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.917 17.942 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.298 16.320 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.337 17.501 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.427 19.165 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.969 17.963 -9.382 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.147 14.679 -6.518 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.978 13.542 -5.621 1.00 0.00 C ATOM 1369 C TYR A 88 -0.626 13.600 -4.916 1.00 0.00 C ATOM 1370 O TYR A 88 -0.520 13.303 -3.726 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.106 12.230 -6.397 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.497 11.975 -6.931 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.597 11.961 -6.082 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.712 11.747 -8.285 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.870 11.728 -6.566 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.981 11.515 -8.777 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.057 11.506 -7.914 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.323 11.273 -8.401 1.00 0.00 O ATOM 0 H TYR A 88 -2.240 14.429 -7.502 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.763 13.588 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.403 12.240 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.818 11.404 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.454 12.135 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.872 11.751 -8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.714 11.720 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.130 11.341 -9.832 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.292 10.547 -9.059 1.00 0.00 H new ATOM 1388 N LEU A 89 0.405 13.986 -5.660 1.00 0.00 N ATOM 1389 CA LEU A 89 1.751 14.085 -5.108 1.00 0.00 C ATOM 1390 C LEU A 89 1.722 14.673 -3.701 1.00 0.00 C ATOM 1391 O LEU A 89 2.431 14.210 -2.807 1.00 0.00 O ATOM 1392 CB LEU A 89 2.633 14.945 -6.015 1.00 0.00 C ATOM 1393 CG LEU A 89 2.985 14.344 -7.376 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.588 15.402 -8.287 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.941 13.172 -7.210 1.00 0.00 C ATOM 0 H LEU A 89 0.334 14.235 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 89 2.169 13.080 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.129 15.897 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.561 15.162 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 89 2.069 13.977 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.832 14.956 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.870 16.209 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.495 15.800 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.181 12.757 -8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.856 13.515 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.472 12.404 -6.595 1.00 0.00 H new ATOM 1407 N LYS A 90 0.895 15.696 -3.510 1.00 0.00 N ATOM 1408 CA LYS A 90 0.768 16.347 -2.212 1.00 0.00 C ATOM 1409 C LYS A 90 0.128 15.409 -1.193 1.00 0.00 C ATOM 1410 O LYS A 90 -0.791 14.650 -1.504 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.063 17.625 -2.338 1.00 0.00 C ATOM 1412 CG LYS A 90 0.745 18.837 -2.766 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.111 19.840 -3.521 1.00 0.00 C ATOM 1414 CE LYS A 90 -1.088 20.547 -2.595 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.388 21.422 -1.614 1.00 0.00 N ATOM 0 H LYS A 90 0.302 16.092 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 90 1.768 16.605 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.862 17.459 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.538 17.835 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.178 19.315 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.575 18.518 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.531 20.576 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.662 19.329 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.780 21.146 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.683 19.806 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.067 22.094 -1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.023 20.837 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.370 21.947 -2.096 1.00 0.00 H new ATOM 1429 N PRO A 91 0.622 15.461 0.053 1.00 0.00 N ATOM 1430 CA PRO A 91 0.110 14.624 1.142 1.00 0.00 C ATOM 1431 C PRO A 91 -1.294 15.032 1.576 1.00 0.00 C ATOM 1432 O PRO A 91 -1.466 15.965 2.360 1.00 0.00 O ATOM 1433 CB PRO A 91 1.111 14.866 2.275 1.00 0.00 C ATOM 1434 CG PRO A 91 1.686 16.211 1.992 1.00 0.00 C ATOM 1435 CD PRO A 91 1.716 16.342 0.494 1.00 0.00 C ATOM 0 HA PRO A 91 0.023 13.578 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.621 14.842 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.886 14.099 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.079 16.997 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.688 16.303 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.555 17.372 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.675 16.029 0.082 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.295 14.325 1.062 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.685 14.612 1.397 1.00 0.00 C ATOM 1445 C VAL A 92 -3.842 14.902 2.886 1.00 0.00 C ATOM 1446 O VAL A 92 -4.642 15.750 3.283 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.609 13.441 1.013 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.059 13.782 1.321 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.436 13.087 -0.456 1.00 0.00 C ATOM 0 H VAL A 92 -2.170 13.549 0.412 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.973 15.494 0.825 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.332 12.571 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.697 12.943 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.167 13.983 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.353 14.665 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.096 12.258 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.686 13.952 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.402 12.797 -0.641 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.073 14.193 3.705 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.126 14.374 5.152 1.00 0.00 C ATOM 1461 C LEU A 93 -1.849 15.030 5.665 1.00 0.00 C ATOM 1462 O LEU A 93 -0.985 15.425 4.883 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.337 13.028 5.846 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.222 12.023 5.109 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.377 11.101 4.244 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.053 11.217 6.097 1.00 0.00 C ATOM 0 H LEU A 93 -2.406 13.488 3.392 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.966 15.029 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.362 12.570 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.772 13.213 6.828 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.901 12.575 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.024 10.393 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.828 11.692 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.672 10.557 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.677 10.507 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.391 10.676 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.688 11.890 6.673 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.735 15.141 6.985 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.562 15.747 7.603 1.00 0.00 C ATOM 1480 C GLU A 94 0.303 14.690 8.283 1.00 0.00 C ATOM 1481 O GLU A 94 -0.208 13.719 8.840 1.00 0.00 O ATOM 1482 CB GLU A 94 -0.985 16.808 8.621 1.00 0.00 C ATOM 1483 CG GLU A 94 0.184 17.489 9.312 1.00 0.00 C ATOM 1484 CD GLU A 94 1.033 18.304 8.356 1.00 0.00 C ATOM 1485 OE1 GLU A 94 1.615 17.709 7.425 1.00 0.00 O ATOM 1486 OE2 GLU A 94 1.115 19.537 8.538 1.00 0.00 O ATOM 0 H GLU A 94 -2.441 14.819 7.647 1.00 0.00 H new ATOM 0 HA GLU A 94 0.026 16.222 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.588 17.563 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.621 16.343 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.194 18.139 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.807 16.734 9.792 1.00 0.00 H new ATOM 1493 N ASP A 95 1.616 14.887 8.232 1.00 0.00 N ATOM 1494 CA ASP A 95 2.553 13.951 8.843 1.00 0.00 C ATOM 1495 C ASP A 95 2.178 12.511 8.509 1.00 0.00 C ATOM 1496 O ASP A 95 2.007 11.681 9.402 1.00 0.00 O ATOM 1497 CB ASP A 95 2.585 14.145 10.359 1.00 0.00 C ATOM 1498 CG ASP A 95 3.920 13.758 10.965 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.332 12.592 10.795 1.00 0.00 O ATOM 1500 OD2 ASP A 95 4.551 14.622 11.610 1.00 0.00 O ATOM 0 H ASP A 95 2.055 15.686 7.774 1.00 0.00 H new ATOM 0 HA ASP A 95 3.545 14.152 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.372 15.188 10.593 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.796 13.548 10.815 1.00 0.00 H new ATOM 1505 N ASP A 96 2.051 12.221 7.219 1.00 0.00 N ATOM 1506 CA ASP A 96 1.696 10.881 6.767 1.00 0.00 C ATOM 1507 C ASP A 96 2.879 9.928 6.911 1.00 0.00 C ATOM 1508 O ASP A 96 3.957 10.173 6.369 1.00 0.00 O ATOM 1509 CB ASP A 96 1.229 10.917 5.311 1.00 0.00 C ATOM 1510 CG ASP A 96 0.506 12.205 4.967 1.00 0.00 C ATOM 1511 OD1 ASP A 96 1.096 13.287 5.163 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.651 12.129 4.503 1.00 0.00 O ATOM 0 H ASP A 96 2.189 12.897 6.467 1.00 0.00 H new ATOM 0 HA ASP A 96 0.881 10.518 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.090 10.800 4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.568 10.071 5.123 1.00 0.00 H new ATOM 1517 N LEU A 97 2.670 8.842 7.647 1.00 0.00 N ATOM 1518 CA LEU A 97 3.719 7.851 7.864 1.00 0.00 C ATOM 1519 C LEU A 97 3.923 6.993 6.619 1.00 0.00 C ATOM 1520 O LEU A 97 5.048 6.607 6.296 1.00 0.00 O ATOM 1521 CB LEU A 97 3.370 6.963 9.059 1.00 0.00 C ATOM 1522 CG LEU A 97 3.165 7.682 10.393 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.588 6.730 11.429 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.476 8.277 10.884 1.00 0.00 C ATOM 0 H LEU A 97 1.784 8.625 8.104 1.00 0.00 H new ATOM 0 HA LEU A 97 4.648 8.381 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.460 6.412 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.165 6.228 9.184 1.00 0.00 H new ATOM 0 HG LEU A 97 2.455 8.495 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.449 7.259 12.372 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.627 6.351 11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.274 5.896 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.312 8.785 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.208 7.481 11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.849 8.992 10.150 1.00 0.00 H new ATOM 1536 N LEU A 98 2.830 6.699 5.924 1.00 0.00 N ATOM 1537 CA LEU A 98 2.889 5.888 4.713 1.00 0.00 C ATOM 1538 C LEU A 98 3.762 6.553 3.654 1.00 0.00 C ATOM 1539 O LEU A 98 4.456 5.878 2.893 1.00 0.00 O ATOM 1540 CB LEU A 98 1.481 5.659 4.160 1.00 0.00 C ATOM 1541 CG LEU A 98 0.450 5.122 5.153 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.914 5.000 4.491 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.896 3.779 5.712 1.00 0.00 C ATOM 0 H LEU A 98 1.892 7.010 6.178 1.00 0.00 H new ATOM 0 HA LEU A 98 3.332 4.926 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.112 6.603 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.549 4.962 3.325 1.00 0.00 H new ATOM 0 HG LEU A 98 0.368 5.827 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.636 4.616 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.237 5.980 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.848 4.316 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.150 3.412 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.007 3.064 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.851 3.897 6.224 1.00 0.00 H new ATOM 1555 N LEU A 99 3.723 7.880 3.611 1.00 0.00 N ATOM 1556 CA LEU A 99 4.512 8.638 2.647 1.00 0.00 C ATOM 1557 C LEU A 99 5.996 8.583 2.994 1.00 0.00 C ATOM 1558 O LEU A 99 6.841 8.399 2.118 1.00 0.00 O ATOM 1559 CB LEU A 99 4.041 10.093 2.603 1.00 0.00 C ATOM 1560 CG LEU A 99 2.866 10.391 1.671 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.635 9.607 2.098 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.569 11.883 1.648 1.00 0.00 C ATOM 0 H LEU A 99 3.153 8.453 4.233 1.00 0.00 H new ATOM 0 HA LEU A 99 4.370 8.187 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.763 10.394 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.883 10.717 2.304 1.00 0.00 H new ATOM 0 HG LEU A 99 3.138 10.080 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.809 9.831 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.853 8.540 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.360 9.887 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.730 12.077 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.317 12.219 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.447 12.423 1.294 1.00 0.00 H new ATOM 1574 N GLN A 100 6.305 8.740 4.277 1.00 0.00 N ATOM 1575 CA GLN A 100 7.688 8.707 4.739 1.00 0.00 C ATOM 1576 C GLN A 100 8.234 7.283 4.716 1.00 0.00 C ATOM 1577 O GLN A 100 9.447 7.072 4.752 1.00 0.00 O ATOM 1578 CB GLN A 100 7.789 9.282 6.152 1.00 0.00 C ATOM 1579 CG GLN A 100 7.476 8.272 7.245 1.00 0.00 C ATOM 1580 CD GLN A 100 7.847 8.773 8.626 1.00 0.00 C ATOM 1581 OE1 GLN A 100 7.003 9.627 9.193 1.00 0.00 O flip ATOM 1582 NE2 GLN A 100 8.882 8.397 9.179 1.00 0.00 N flip ATOM 0 H GLN A 100 5.617 8.891 5.015 1.00 0.00 H new ATOM 0 HA GLN A 100 8.286 9.318 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.796 9.671 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.104 10.125 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.412 8.036 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.013 7.345 7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.503 7.739 8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.118 8.743 10.109 1.00 0.00 H new ATOM 1591 N PHE A 101 7.332 6.309 4.657 1.00 0.00 N ATOM 1592 CA PHE A 101 7.724 4.904 4.631 1.00 0.00 C ATOM 1593 C PHE A 101 8.663 4.623 3.461 1.00 0.00 C ATOM 1594 O PHE A 101 8.317 4.858 2.303 1.00 0.00 O ATOM 1595 CB PHE A 101 6.487 4.010 4.533 1.00 0.00 C ATOM 1596 CG PHE A 101 6.807 2.579 4.207 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.965 2.173 2.892 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.949 1.640 5.216 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.258 0.856 2.589 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.243 0.322 4.919 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.398 -0.070 3.604 1.00 0.00 C ATOM 0 H PHE A 101 6.325 6.466 4.626 1.00 0.00 H new ATOM 0 HA PHE A 101 8.252 4.682 5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.946 4.047 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.820 4.408 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.858 2.893 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.829 1.941 6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.377 0.552 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.351 -0.400 5.715 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.628 -1.099 3.370 1.00 0.00 H new ATOM 1611 N ASP A 102 9.852 4.120 3.773 1.00 0.00 N ATOM 1612 CA ASP A 102 10.842 3.806 2.749 1.00 0.00 C ATOM 1613 C ASP A 102 10.276 2.820 1.731 1.00 0.00 C ATOM 1614 O ASP A 102 10.544 1.620 1.798 1.00 0.00 O ATOM 1615 CB ASP A 102 12.105 3.228 3.390 1.00 0.00 C ATOM 1616 CG ASP A 102 11.793 2.255 4.509 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.624 1.052 4.219 1.00 0.00 O ATOM 1618 OD2 ASP A 102 11.715 2.695 5.675 1.00 0.00 O ATOM 0 H ASP A 102 10.154 3.921 4.727 1.00 0.00 H new ATOM 0 HA ASP A 102 11.098 4.730 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.697 2.722 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.716 4.042 3.780 1.00 0.00 H new ATOM 1623 N VAL A 103 9.492 3.334 0.789 1.00 0.00 N ATOM 1624 CA VAL A 103 8.888 2.499 -0.243 1.00 0.00 C ATOM 1625 C VAL A 103 9.955 1.818 -1.092 1.00 0.00 C ATOM 1626 O VAL A 103 9.733 0.737 -1.635 1.00 0.00 O ATOM 1627 CB VAL A 103 7.964 3.322 -1.160 1.00 0.00 C ATOM 1628 CG1 VAL A 103 8.767 4.348 -1.946 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.192 2.405 -2.098 1.00 0.00 C ATOM 0 H VAL A 103 9.260 4.325 0.719 1.00 0.00 H new ATOM 0 HA VAL A 103 8.297 1.740 0.269 1.00 0.00 H new ATOM 0 HB VAL A 103 7.246 3.857 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.097 4.920 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.271 5.023 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.509 3.837 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.544 3.003 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.893 1.842 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.586 1.713 -1.513 1.00 0.00 H new ATOM 1639 N GLU A 104 11.114 2.460 -1.202 1.00 0.00 N ATOM 1640 CA GLU A 104 12.216 1.915 -1.987 1.00 0.00 C ATOM 1641 C GLU A 104 12.639 0.548 -1.456 1.00 0.00 C ATOM 1642 O GLU A 104 13.172 -0.279 -2.195 1.00 0.00 O ATOM 1643 CB GLU A 104 13.409 2.874 -1.967 1.00 0.00 C ATOM 1644 CG GLU A 104 13.530 3.667 -0.676 1.00 0.00 C ATOM 1645 CD GLU A 104 14.969 3.993 -0.325 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.630 4.694 -1.119 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.434 3.547 0.745 1.00 0.00 O ATOM 0 H GLU A 104 11.314 3.356 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 104 11.872 1.796 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.325 2.304 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.321 3.568 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.964 4.594 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.081 3.099 0.139 1.00 0.00 H new ATOM 1654 N ASP A 105 12.398 0.320 -0.170 1.00 0.00 N ATOM 1655 CA ASP A 105 12.753 -0.946 0.462 1.00 0.00 C ATOM 1656 C ASP A 105 12.106 -2.118 -0.270 1.00 0.00 C ATOM 1657 O ASP A 105 12.512 -3.269 -0.101 1.00 0.00 O ATOM 1658 CB ASP A 105 12.324 -0.946 1.930 1.00 0.00 C ATOM 1659 CG ASP A 105 12.743 -2.209 2.655 1.00 0.00 C ATOM 1660 OD1 ASP A 105 13.953 -2.519 2.657 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.862 -2.888 3.223 1.00 0.00 O ATOM 0 H ASP A 105 11.958 0.995 0.456 1.00 0.00 H new ATOM 0 HA ASP A 105 13.836 -1.060 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.758 -0.081 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.241 -0.839 1.989 1.00 0.00 H new ATOM 1666 N LEU A 106 11.098 -1.818 -1.082 1.00 0.00 N ATOM 1667 CA LEU A 106 10.394 -2.848 -1.839 1.00 0.00 C ATOM 1668 C LEU A 106 11.234 -3.326 -3.019 1.00 0.00 C ATOM 1669 O LEU A 106 11.217 -4.507 -3.367 1.00 0.00 O ATOM 1670 CB LEU A 106 9.051 -2.312 -2.339 1.00 0.00 C ATOM 1671 CG LEU A 106 8.035 -1.936 -1.260 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.677 -1.651 -1.881 1.00 0.00 C ATOM 1673 CD2 LEU A 106 7.927 -3.042 -0.220 1.00 0.00 C ATOM 0 H LEU A 106 10.750 -0.871 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 106 10.217 -3.695 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.240 -1.432 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.601 -3.064 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 106 8.381 -1.030 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.967 -1.385 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.766 -0.824 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.323 -2.539 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.199 -2.757 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.605 -3.965 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.899 -3.197 0.248 1.00 0.00 H new