USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 59 GLN : amide:sc= -0.0333 K(o=1.2,f=-1.3!) USER MOD Set 1.2: A 63 SER OG : rot 84:sc= 1.27 USER MOD Single : A 18 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0018) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -68:sc= 0.427 USER MOD Single : A 29 THR OG1 : rot 180:sc= 1.23 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -17:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.868) USER MOD Single : A 41 THR OG1 : rot 81:sc= 0.231 USER MOD Single : A 43 ASN : amide:sc= 0.779 K(o=0.78,f=-0.18) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.91) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0364 (180deg=-0.211) USER MOD Single : A 86 MET CE :methyl 176:sc= -0.0183 (180deg=-0.0399) USER MOD Single : A 87 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.8!) USER MOD Single : A 91 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.3) USER MOD Single : A 94 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 95 ASN : amide:sc= 0.382 K(o=0.38,f=-6!) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 0.474 (180deg=0.39) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.617 -13.048 -4.978 1.00 0.00 N ATOM 172 CA ILE A 17 -5.213 -12.760 -5.263 1.00 0.00 C ATOM 173 C ILE A 17 -4.521 -14.008 -5.831 1.00 0.00 C ATOM 174 O ILE A 17 -3.639 -13.890 -6.677 1.00 0.00 O ATOM 175 CB ILE A 17 -4.548 -12.175 -3.990 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.100 -11.691 -4.198 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.543 -13.167 -2.806 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.890 -10.611 -5.256 1.00 0.00 C ATOM 0 HA ILE A 17 -5.115 -12.001 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.175 -11.314 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.726 -11.314 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.487 -12.552 -4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.065 -12.702 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.568 -13.435 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.992 -14.065 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.832 -10.354 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.223 -10.982 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.465 -9.724 -4.990 1.00 0.00 H new ATOM 190 N GLN A 18 -4.911 -15.205 -5.385 1.00 0.00 N ATOM 191 CA GLN A 18 -4.102 -16.401 -5.530 1.00 0.00 C ATOM 192 C GLN A 18 -4.051 -16.921 -6.980 1.00 0.00 C ATOM 193 O GLN A 18 -3.027 -17.462 -7.391 1.00 0.00 O ATOM 194 CB GLN A 18 -4.616 -17.428 -4.497 1.00 0.00 C ATOM 195 CG GLN A 18 -3.519 -18.398 -4.058 1.00 0.00 C ATOM 196 CD GLN A 18 -3.758 -19.029 -2.683 1.00 0.00 C ATOM 197 OE1 GLN A 18 -4.188 -20.178 -2.575 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.431 -18.343 -1.599 1.00 0.00 N ATOM 0 H GLN A 18 -5.801 -15.364 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.055 -16.183 -5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.004 -16.902 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.446 -17.990 -4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.432 -19.192 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.566 -17.869 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.075 -17.391 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.535 -18.766 -0.677 1.00 0.00 H new ATOM 207 N GLU A 19 -5.113 -16.751 -7.771 1.00 0.00 N ATOM 208 CA GLU A 19 -5.157 -17.062 -9.196 1.00 0.00 C ATOM 209 C GLU A 19 -4.346 -16.038 -9.996 1.00 0.00 C ATOM 210 O GLU A 19 -3.582 -16.427 -10.874 1.00 0.00 O ATOM 211 CB GLU A 19 -6.621 -17.158 -9.661 1.00 0.00 C ATOM 212 CG GLU A 19 -6.773 -17.464 -11.161 1.00 0.00 C ATOM 213 CD GLU A 19 -8.139 -18.085 -11.479 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.384 -19.234 -11.046 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.987 -17.451 -12.148 1.00 0.00 O ATOM 0 H GLU A 19 -5.996 -16.379 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.693 -18.032 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.125 -17.936 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.127 -16.219 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.649 -16.545 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.982 -18.145 -11.475 1.00 0.00 H new ATOM 222 N ILE A 20 -4.436 -14.745 -9.681 1.00 0.00 N ATOM 223 CA ILE A 20 -3.631 -13.721 -10.340 1.00 0.00 C ATOM 224 C ILE A 20 -2.146 -13.989 -10.079 1.00 0.00 C ATOM 225 O ILE A 20 -1.348 -13.935 -11.014 1.00 0.00 O ATOM 226 CB ILE A 20 -4.084 -12.315 -9.891 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.479 -11.948 -10.443 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.069 -11.232 -10.264 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.596 -11.788 -11.963 1.00 0.00 C ATOM 0 H ILE A 20 -5.066 -14.382 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.779 -13.761 -11.419 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.149 -12.357 -8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.184 -12.717 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.795 -11.015 -9.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.433 -10.261 -9.927 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.114 -11.448 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.937 -11.215 -11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.623 -11.531 -12.224 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.927 -10.995 -12.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.322 -12.724 -12.450 1.00 0.00 H new ATOM 241 N VAL A 21 -1.770 -14.308 -8.839 1.00 0.00 N ATOM 242 CA VAL A 21 -0.398 -14.651 -8.484 1.00 0.00 C ATOM 243 C VAL A 21 0.036 -15.907 -9.233 1.00 0.00 C ATOM 244 O VAL A 21 1.178 -15.980 -9.683 1.00 0.00 O ATOM 245 CB VAL A 21 -0.302 -14.856 -6.965 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.071 -15.386 -6.528 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.566 -13.556 -6.202 1.00 0.00 C ATOM 0 H VAL A 21 -2.416 -14.335 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 21 0.270 -13.839 -8.770 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.066 -15.595 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.084 -15.513 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.260 -16.346 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.845 -14.676 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.489 -13.741 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.170 -12.807 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.567 -13.193 -6.437 1.00 0.00 H new ATOM 257 N ALA A 22 -0.853 -16.892 -9.373 1.00 0.00 N ATOM 258 CA ALA A 22 -0.575 -18.109 -10.121 1.00 0.00 C ATOM 259 C ALA A 22 -0.234 -17.768 -11.573 1.00 0.00 C ATOM 260 O ALA A 22 0.765 -18.252 -12.108 1.00 0.00 O ATOM 261 CB ALA A 22 -1.769 -19.062 -9.998 1.00 0.00 C ATOM 0 H ALA A 22 -1.788 -16.863 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 22 0.295 -18.618 -9.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.565 -19.975 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.932 -19.308 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.661 -18.582 -10.401 1.00 0.00 H new ATOM 267 N MET A 23 -1.033 -16.892 -12.179 1.00 0.00 N ATOM 268 CA MET A 23 -0.876 -16.405 -13.542 1.00 0.00 C ATOM 269 C MET A 23 0.349 -15.498 -13.725 1.00 0.00 C ATOM 270 O MET A 23 0.751 -15.278 -14.866 1.00 0.00 O ATOM 271 CB MET A 23 -2.144 -15.625 -13.914 1.00 0.00 C ATOM 272 CG MET A 23 -3.409 -16.479 -13.988 1.00 0.00 C ATOM 273 SD MET A 23 -3.584 -17.393 -15.528 1.00 0.00 S ATOM 274 CE MET A 23 -5.230 -18.079 -15.266 1.00 0.00 C ATOM 0 H MET A 23 -1.843 -16.486 -11.710 1.00 0.00 H new ATOM 0 HA MET A 23 -0.722 -17.268 -14.190 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.297 -14.833 -13.181 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.989 -15.142 -14.879 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.408 -17.184 -13.157 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.279 -15.835 -13.859 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.514 -18.684 -16.128 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.227 -18.701 -14.371 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.947 -17.267 -15.141 1.00 0.00 H new ATOM 284 N SER A 24 0.921 -14.952 -12.646 1.00 0.00 N ATOM 285 CA SER A 24 1.983 -13.955 -12.712 1.00 0.00 C ATOM 286 C SER A 24 3.211 -14.519 -13.440 1.00 0.00 C ATOM 287 O SER A 24 3.549 -15.693 -13.240 1.00 0.00 O ATOM 288 CB SER A 24 2.354 -13.529 -11.284 1.00 0.00 C ATOM 289 OG SER A 24 3.307 -12.483 -11.231 1.00 0.00 O ATOM 0 H SER A 24 0.652 -15.197 -11.693 1.00 0.00 H new ATOM 0 HA SER A 24 1.632 -13.089 -13.273 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.451 -13.212 -10.763 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.746 -14.393 -10.747 1.00 0.00 H new ATOM 0 HG SER A 24 4.170 -12.809 -11.563 1.00 0.00 H new ATOM 295 N PRO A 25 3.947 -13.678 -14.189 1.00 0.00 N ATOM 296 CA PRO A 25 5.300 -13.976 -14.623 1.00 0.00 C ATOM 297 C PRO A 25 6.262 -13.854 -13.429 1.00 0.00 C ATOM 298 O PRO A 25 5.844 -13.568 -12.302 1.00 0.00 O ATOM 299 CB PRO A 25 5.582 -12.964 -15.732 1.00 0.00 C ATOM 300 CG PRO A 25 4.849 -11.718 -15.245 1.00 0.00 C ATOM 301 CD PRO A 25 3.633 -12.285 -14.509 1.00 0.00 C ATOM 0 HA PRO A 25 5.431 -14.991 -14.997 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.650 -12.784 -15.853 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.205 -13.305 -16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.474 -11.117 -14.584 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.553 -11.076 -16.075 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.430 -11.716 -13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.740 -12.223 -15.131 1.00 0.00 H new ATOM 309 N GLU A 26 7.544 -14.136 -13.663 1.00 0.00 N ATOM 310 CA GLU A 26 8.610 -14.048 -12.680 1.00 0.00 C ATOM 311 C GLU A 26 8.864 -12.597 -12.255 1.00 0.00 C ATOM 312 O GLU A 26 9.571 -11.844 -12.933 1.00 0.00 O ATOM 313 CB GLU A 26 9.875 -14.728 -13.233 1.00 0.00 C ATOM 314 CG GLU A 26 10.357 -15.790 -12.257 1.00 0.00 C ATOM 315 CD GLU A 26 11.568 -16.572 -12.733 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.412 -16.040 -13.486 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.650 -17.766 -12.352 1.00 0.00 O ATOM 0 H GLU A 26 7.875 -14.443 -14.578 1.00 0.00 H new ATOM 0 HA GLU A 26 8.308 -14.577 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.662 -15.181 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.657 -13.986 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.598 -15.312 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.541 -16.487 -12.065 1.00 0.00 H new ATOM 324 N LEU A 27 8.275 -12.216 -11.125 1.00 0.00 N ATOM 325 CA LEU A 27 8.451 -10.930 -10.471 1.00 0.00 C ATOM 326 C LEU A 27 9.692 -10.996 -9.593 1.00 0.00 C ATOM 327 O LEU A 27 9.752 -11.789 -8.651 1.00 0.00 O ATOM 328 CB LEU A 27 7.199 -10.601 -9.664 1.00 0.00 C ATOM 329 CG LEU A 27 6.287 -9.627 -10.415 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.883 -10.152 -11.786 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.053 -9.424 -9.562 1.00 0.00 C ATOM 0 H LEU A 27 7.633 -12.826 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 27 8.592 -10.135 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.653 -11.519 -9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.486 -10.167 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 27 6.822 -8.693 -10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.237 -9.425 -12.278 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.775 -10.313 -12.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.347 -11.094 -11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.374 -8.734 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.553 -10.381 -9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.343 -9.011 -8.596 1.00 0.00 H new ATOM 343 N ASP A 28 10.679 -10.159 -9.889 1.00 0.00 N ATOM 344 CA ASP A 28 11.912 -10.045 -9.113 1.00 0.00 C ATOM 345 C ASP A 28 11.608 -9.563 -7.704 1.00 0.00 C ATOM 346 O ASP A 28 11.312 -8.380 -7.514 1.00 0.00 O ATOM 347 CB ASP A 28 12.882 -9.052 -9.751 1.00 0.00 C ATOM 348 CG ASP A 28 13.753 -9.713 -10.790 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.625 -10.509 -10.384 1.00 0.00 O ATOM 350 OD2 ASP A 28 13.609 -9.345 -11.977 1.00 0.00 O ATOM 0 H ASP A 28 10.646 -9.528 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 28 12.367 -11.035 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.320 -8.239 -10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.510 -8.609 -8.978 1.00 0.00 H new ATOM 355 N THR A 29 11.703 -10.448 -6.711 1.00 0.00 N ATOM 356 CA THR A 29 11.406 -10.098 -5.329 1.00 0.00 C ATOM 357 C THR A 29 12.303 -8.932 -4.900 1.00 0.00 C ATOM 358 O THR A 29 11.800 -7.882 -4.509 1.00 0.00 O ATOM 359 CB THR A 29 11.522 -11.335 -4.422 1.00 0.00 C ATOM 360 OG1 THR A 29 12.823 -11.879 -4.456 1.00 0.00 O ATOM 361 CG2 THR A 29 10.546 -12.453 -4.798 1.00 0.00 C ATOM 0 H THR A 29 11.986 -11.419 -6.844 1.00 0.00 H new ATOM 0 HA THR A 29 10.374 -9.760 -5.234 1.00 0.00 H new ATOM 0 HB THR A 29 11.279 -10.973 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.867 -12.658 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.679 -13.296 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.523 -12.084 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.740 -12.776 -5.821 1.00 0.00 H new ATOM 369 N TYR A 30 13.625 -9.080 -5.035 1.00 0.00 N ATOM 370 CA TYR A 30 14.621 -8.093 -4.663 1.00 0.00 C ATOM 371 C TYR A 30 14.337 -6.716 -5.247 1.00 0.00 C ATOM 372 O TYR A 30 14.181 -5.758 -4.488 1.00 0.00 O ATOM 373 CB TYR A 30 16.008 -8.597 -5.064 1.00 0.00 C ATOM 374 CG TYR A 30 17.102 -7.869 -4.322 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.203 -8.039 -2.932 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.001 -7.030 -5.000 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.218 -7.386 -2.211 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.034 -6.393 -4.292 1.00 0.00 C ATOM 379 CZ TYR A 30 19.146 -6.567 -2.894 1.00 0.00 C ATOM 380 OH TYR A 30 20.176 -5.985 -2.221 1.00 0.00 O ATOM 0 H TYR A 30 14.038 -9.928 -5.423 1.00 0.00 H new ATOM 0 HA TYR A 30 14.580 -7.967 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.080 -9.666 -4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.147 -8.466 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.499 -8.674 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.899 -6.875 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.288 -7.509 -1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.743 -5.770 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 30 20.717 -5.457 -2.844 1.00 0.00 H new ATOM 390 N SER A 31 14.239 -6.636 -6.575 1.00 0.00 N ATOM 391 CA SER A 31 13.921 -5.414 -7.300 1.00 0.00 C ATOM 392 C SER A 31 12.671 -4.786 -6.703 1.00 0.00 C ATOM 393 O SER A 31 12.762 -3.647 -6.249 1.00 0.00 O ATOM 394 CB SER A 31 13.757 -5.748 -8.790 1.00 0.00 C ATOM 395 OG SER A 31 13.377 -4.642 -9.576 1.00 0.00 O ATOM 0 H SER A 31 14.383 -7.440 -7.186 1.00 0.00 H new ATOM 0 HA SER A 31 14.726 -4.684 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.697 -6.148 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.010 -6.534 -8.898 1.00 0.00 H new ATOM 0 HG SER A 31 13.291 -4.920 -10.512 1.00 0.00 H new ATOM 401 N ILE A 32 11.559 -5.527 -6.606 1.00 0.00 N ATOM 402 CA ILE A 32 10.318 -5.017 -6.034 1.00 0.00 C ATOM 403 C ILE A 32 10.620 -4.437 -4.654 1.00 0.00 C ATOM 404 O ILE A 32 10.306 -3.277 -4.427 1.00 0.00 O ATOM 405 CB ILE A 32 9.207 -6.097 -6.044 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.758 -6.351 -7.499 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.979 -5.695 -5.200 1.00 0.00 C ATOM 408 CD1 ILE A 32 7.998 -7.665 -7.677 1.00 0.00 C ATOM 0 H ILE A 32 11.500 -6.495 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 32 9.916 -4.209 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 32 9.628 -7.000 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.125 -5.526 -7.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.635 -6.356 -8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.233 -6.488 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.284 -5.539 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.552 -4.773 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.712 -7.781 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.636 -8.497 -7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.103 -7.655 -7.055 1.00 0.00 H new ATOM 420 N THR A 33 11.271 -5.164 -3.740 1.00 0.00 N ATOM 421 CA THR A 33 11.510 -4.637 -2.398 1.00 0.00 C ATOM 422 C THR A 33 12.302 -3.326 -2.409 1.00 0.00 C ATOM 423 O THR A 33 11.963 -2.401 -1.679 1.00 0.00 O ATOM 424 CB THR A 33 12.172 -5.678 -1.486 1.00 0.00 C ATOM 425 OG1 THR A 33 13.472 -6.049 -1.893 1.00 0.00 O ATOM 426 CG2 THR A 33 11.330 -6.948 -1.370 1.00 0.00 C ATOM 0 H THR A 33 11.635 -6.103 -3.903 1.00 0.00 H new ATOM 0 HA THR A 33 10.528 -4.408 -1.984 1.00 0.00 H new ATOM 0 HB THR A 33 12.246 -5.180 -0.519 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.611 -5.784 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.833 -7.660 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.353 -6.700 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.202 -7.391 -2.358 1.00 0.00 H new ATOM 434 N LYS A 34 13.348 -3.230 -3.229 1.00 0.00 N ATOM 435 CA LYS A 34 14.190 -2.042 -3.340 1.00 0.00 C ATOM 436 C LYS A 34 13.398 -0.880 -3.937 1.00 0.00 C ATOM 437 O LYS A 34 13.465 0.239 -3.428 1.00 0.00 O ATOM 438 CB LYS A 34 15.451 -2.382 -4.166 1.00 0.00 C ATOM 439 CG LYS A 34 16.701 -2.594 -3.282 1.00 0.00 C ATOM 440 CD LYS A 34 17.979 -1.988 -3.883 1.00 0.00 C ATOM 441 CE LYS A 34 18.152 -0.507 -3.518 1.00 0.00 C ATOM 442 NZ LYS A 34 19.216 0.139 -4.317 1.00 0.00 N ATOM 0 H LYS A 34 13.638 -3.989 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 34 14.515 -1.724 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.266 -3.284 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.644 -1.577 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.524 -2.152 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.851 -3.662 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.844 -2.550 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.952 -2.091 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.210 0.018 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.391 -0.420 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.300 1.138 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.120 -0.345 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.976 0.079 -5.327 1.00 0.00 H new ATOM 456 N ARG A 35 12.638 -1.134 -4.997 1.00 0.00 N ATOM 457 CA ARG A 35 11.805 -0.152 -5.675 1.00 0.00 C ATOM 458 C ARG A 35 10.718 0.352 -4.725 1.00 0.00 C ATOM 459 O ARG A 35 10.480 1.550 -4.649 1.00 0.00 O ATOM 460 CB ARG A 35 11.241 -0.828 -6.940 1.00 0.00 C ATOM 461 CG ARG A 35 10.948 0.122 -8.103 1.00 0.00 C ATOM 462 CD ARG A 35 9.675 0.924 -7.865 1.00 0.00 C ATOM 463 NE ARG A 35 9.202 1.560 -9.096 1.00 0.00 N ATOM 464 CZ ARG A 35 9.380 2.829 -9.465 1.00 0.00 C ATOM 465 NH1 ARG A 35 10.056 3.679 -8.694 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.876 3.228 -10.621 1.00 0.00 N ATOM 0 H ARG A 35 12.584 -2.060 -5.420 1.00 0.00 H new ATOM 0 HA ARG A 35 12.372 0.729 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.951 -1.584 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.321 -1.350 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.788 0.803 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.851 -0.450 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.899 0.268 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.861 1.687 -7.109 1.00 0.00 H new ATOM 0 HE ARG A 35 8.679 0.968 -9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.447 3.362 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.183 4.646 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.364 2.570 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.999 4.194 -10.925 1.00 0.00 H new ATOM 480 N VAL A 36 10.088 -0.549 -3.976 1.00 0.00 N ATOM 481 CA VAL A 36 9.044 -0.257 -3.009 1.00 0.00 C ATOM 482 C VAL A 36 9.625 0.612 -1.897 1.00 0.00 C ATOM 483 O VAL A 36 9.080 1.673 -1.617 1.00 0.00 O ATOM 484 CB VAL A 36 8.457 -1.586 -2.488 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.698 -1.419 -1.175 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.457 -2.220 -3.475 1.00 0.00 C ATOM 0 H VAL A 36 10.304 -1.544 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 36 8.227 0.303 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 36 9.331 -2.224 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.307 -2.385 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.372 -1.030 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.872 -0.723 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.075 -3.152 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.628 -1.533 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.959 -2.424 -4.421 1.00 0.00 H new ATOM 496 N LYS A 37 10.710 0.169 -1.251 1.00 0.00 N ATOM 497 CA LYS A 37 11.347 0.895 -0.153 1.00 0.00 C ATOM 498 C LYS A 37 11.631 2.322 -0.567 1.00 0.00 C ATOM 499 O LYS A 37 11.307 3.236 0.183 1.00 0.00 O ATOM 500 CB LYS A 37 12.655 0.204 0.240 1.00 0.00 C ATOM 501 CG LYS A 37 12.400 -0.974 1.173 1.00 0.00 C ATOM 502 CD LYS A 37 13.697 -1.654 1.639 1.00 0.00 C ATOM 503 CE LYS A 37 14.453 -2.349 0.503 1.00 0.00 C ATOM 504 NZ LYS A 37 15.563 -3.179 1.023 1.00 0.00 N ATOM 0 H LYS A 37 11.172 -0.711 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 37 10.671 0.900 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.169 -0.144 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.315 0.921 0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.843 -0.628 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.773 -1.706 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.347 -0.908 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.459 -2.386 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.764 -2.974 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.847 -1.601 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.223 -3.400 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.066 -2.658 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.181 -4.063 1.416 1.00 0.00 H new ATOM 518 N GLU A 38 12.194 2.506 -1.757 1.00 0.00 N ATOM 519 CA GLU A 38 12.398 3.828 -2.303 1.00 0.00 C ATOM 520 C GLU A 38 11.125 4.647 -2.375 1.00 0.00 C ATOM 521 O GLU A 38 11.143 5.774 -1.901 1.00 0.00 O ATOM 522 CB GLU A 38 13.030 3.718 -3.680 1.00 0.00 C ATOM 523 CG GLU A 38 14.533 3.552 -3.541 1.00 0.00 C ATOM 524 CD GLU A 38 15.183 4.792 -2.924 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.228 5.849 -3.598 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.597 4.716 -1.744 1.00 0.00 O ATOM 0 H GLU A 38 12.516 1.747 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 38 13.066 4.356 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.609 2.868 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.805 4.609 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.747 2.682 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.970 3.361 -4.521 1.00 0.00 H new ATOM 533 N VAL A 39 10.037 4.125 -2.938 1.00 0.00 N ATOM 534 CA VAL A 39 8.773 4.862 -2.988 1.00 0.00 C ATOM 535 C VAL A 39 8.294 5.213 -1.569 1.00 0.00 C ATOM 536 O VAL A 39 7.713 6.286 -1.391 1.00 0.00 O ATOM 537 CB VAL A 39 7.735 4.085 -3.828 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.337 4.724 -3.830 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.201 4.014 -5.291 1.00 0.00 C ATOM 0 H VAL A 39 10.003 3.199 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 39 8.920 5.816 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 39 7.661 3.101 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.663 4.123 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.957 4.772 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.398 5.731 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.467 3.465 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.305 5.023 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.162 3.503 -5.342 1.00 0.00 H new ATOM 549 N LEU A 40 8.558 4.377 -0.553 1.00 0.00 N ATOM 550 CA LEU A 40 8.242 4.722 0.830 1.00 0.00 C ATOM 551 C LEU A 40 9.089 5.903 1.292 1.00 0.00 C ATOM 552 O LEU A 40 8.519 6.892 1.750 1.00 0.00 O ATOM 553 CB LEU A 40 8.351 3.527 1.806 1.00 0.00 C ATOM 554 CG LEU A 40 7.505 2.305 1.426 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.736 1.204 2.461 1.00 0.00 C ATOM 556 CD2 LEU A 40 6.022 2.661 1.342 1.00 0.00 C ATOM 0 H LEU A 40 8.989 3.460 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 40 7.192 5.014 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.396 3.222 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.055 3.861 2.801 1.00 0.00 H new ATOM 0 HG LEU A 40 7.809 1.954 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.139 0.330 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.792 0.932 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.442 1.564 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.450 1.774 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.681 3.031 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.875 3.432 0.586 1.00 0.00 H new ATOM 568 N THR A 41 10.415 5.823 1.158 1.00 0.00 N ATOM 569 CA THR A 41 11.344 6.891 1.477 1.00 0.00 C ATOM 570 C THR A 41 10.915 8.191 0.788 1.00 0.00 C ATOM 571 O THR A 41 10.774 9.219 1.449 1.00 0.00 O ATOM 572 CB THR A 41 12.744 6.427 1.034 1.00 0.00 C ATOM 573 OG1 THR A 41 13.113 5.219 1.681 1.00 0.00 O ATOM 574 CG2 THR A 41 13.824 7.464 1.300 1.00 0.00 C ATOM 0 H THR A 41 10.879 4.983 0.813 1.00 0.00 H new ATOM 0 HA THR A 41 11.356 7.102 2.546 1.00 0.00 H new ATOM 0 HB THR A 41 12.672 6.272 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.701 4.460 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.788 7.079 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.591 8.380 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.868 7.677 2.368 1.00 0.00 H new ATOM 582 N ASP A 42 10.694 8.148 -0.527 1.00 0.00 N ATOM 583 CA ASP A 42 10.414 9.299 -1.381 1.00 0.00 C ATOM 584 C ASP A 42 9.181 10.053 -0.900 1.00 0.00 C ATOM 585 O ASP A 42 9.116 11.275 -1.017 1.00 0.00 O ATOM 586 CB ASP A 42 10.183 8.839 -2.839 1.00 0.00 C ATOM 587 CG ASP A 42 11.281 9.261 -3.814 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.798 10.393 -3.679 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.564 8.489 -4.765 1.00 0.00 O ATOM 0 H ASP A 42 10.706 7.270 -1.047 1.00 0.00 H new ATOM 0 HA ASP A 42 11.277 9.963 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.097 7.753 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.231 9.239 -3.187 1.00 0.00 H new ATOM 594 N ASN A 43 8.188 9.326 -0.386 1.00 0.00 N ATOM 595 CA ASN A 43 6.895 9.861 -0.002 1.00 0.00 C ATOM 596 C ASN A 43 6.765 9.986 1.510 1.00 0.00 C ATOM 597 O ASN A 43 5.650 10.170 1.999 1.00 0.00 O ATOM 598 CB ASN A 43 5.810 8.974 -0.614 1.00 0.00 C ATOM 599 CG ASN A 43 5.778 9.194 -2.117 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.305 10.221 -2.588 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.330 8.275 -2.884 1.00 0.00 N ATOM 0 H ASN A 43 8.270 8.322 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 43 6.782 10.875 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.011 7.926 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.840 9.212 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.370 8.411 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.717 7.428 -2.467 1.00 0.00 H new ATOM 608 N ASN A 44 7.874 9.891 2.253 1.00 0.00 N ATOM 609 CA ASN A 44 7.936 9.988 3.712 1.00 0.00 C ATOM 610 C ASN A 44 7.081 8.941 4.432 1.00 0.00 C ATOM 611 O ASN A 44 6.727 9.113 5.600 1.00 0.00 O ATOM 612 CB ASN A 44 7.636 11.431 4.170 1.00 0.00 C ATOM 613 CG ASN A 44 8.911 12.118 4.602 1.00 0.00 C ATOM 614 OD1 ASN A 44 9.336 11.961 5.742 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.538 12.880 3.734 1.00 0.00 N ATOM 0 H ASN A 44 8.791 9.738 1.833 1.00 0.00 H new ATOM 0 HA ASN A 44 8.958 9.750 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.171 11.989 3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.924 11.418 4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.399 13.357 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.164 12.994 2.792 1.00 0.00 H new ATOM 622 N LEU A 45 6.722 7.848 3.755 1.00 0.00 N ATOM 623 CA LEU A 45 5.939 6.778 4.342 1.00 0.00 C ATOM 624 C LEU A 45 6.827 5.969 5.297 1.00 0.00 C ATOM 625 O LEU A 45 8.060 6.070 5.296 1.00 0.00 O ATOM 626 CB LEU A 45 5.366 5.892 3.225 1.00 0.00 C ATOM 627 CG LEU A 45 4.360 6.593 2.285 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.304 5.802 0.976 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.954 6.699 2.899 1.00 0.00 C ATOM 0 H LEU A 45 6.972 7.687 2.779 1.00 0.00 H new ATOM 0 HA LEU A 45 5.105 7.187 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.192 5.508 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.876 5.032 3.680 1.00 0.00 H new ATOM 0 HG LEU A 45 4.699 7.614 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.599 6.277 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.294 5.783 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.979 4.782 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.287 7.200 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.574 5.700 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.003 7.273 3.824 1.00 0.00 H new ATOM 641 N GLY A 46 6.182 5.129 6.098 1.00 0.00 N ATOM 642 CA GLY A 46 6.780 4.164 7.000 1.00 0.00 C ATOM 643 C GLY A 46 6.427 2.759 6.518 1.00 0.00 C ATOM 644 O GLY A 46 5.295 2.564 6.059 1.00 0.00 O ATOM 0 H GLY A 46 5.163 5.106 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.862 4.293 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.414 4.318 8.015 1.00 0.00 H new ATOM 648 N GLN A 47 7.302 1.765 6.706 1.00 0.00 N ATOM 649 CA GLN A 47 7.061 0.405 6.222 1.00 0.00 C ATOM 650 C GLN A 47 5.773 -0.219 6.793 1.00 0.00 C ATOM 651 O GLN A 47 5.148 -1.020 6.097 1.00 0.00 O ATOM 652 CB GLN A 47 8.252 -0.530 6.535 1.00 0.00 C ATOM 653 CG GLN A 47 9.015 -1.024 5.302 1.00 0.00 C ATOM 654 CD GLN A 47 10.395 -0.419 5.072 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.644 0.768 5.256 1.00 0.00 O ATOM 656 NE2 GLN A 47 11.349 -1.246 4.685 1.00 0.00 N ATOM 0 H GLN A 47 8.190 1.881 7.194 1.00 0.00 H new ATOM 0 HA GLN A 47 6.943 0.501 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.947 -0.005 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.883 -1.394 7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.125 -2.106 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.404 -0.827 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.138 -2.232 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.297 -0.898 4.538 1.00 0.00 H new ATOM 665 N ARG A 48 5.379 0.106 8.038 1.00 0.00 N ATOM 666 CA ARG A 48 4.244 -0.546 8.708 1.00 0.00 C ATOM 667 C ARG A 48 2.993 -0.468 7.847 1.00 0.00 C ATOM 668 O ARG A 48 2.413 -1.479 7.460 1.00 0.00 O ATOM 669 CB ARG A 48 3.940 0.090 10.084 1.00 0.00 C ATOM 670 CG ARG A 48 2.893 -0.735 10.840 1.00 0.00 C ATOM 671 CD ARG A 48 2.127 -0.013 11.951 1.00 0.00 C ATOM 672 NE ARG A 48 1.625 -1.015 12.903 1.00 0.00 N ATOM 673 CZ ARG A 48 0.815 -0.821 13.944 1.00 0.00 C ATOM 674 NH1 ARG A 48 0.304 0.372 14.220 1.00 0.00 N ATOM 675 NH2 ARG A 48 0.536 -1.838 14.745 1.00 0.00 N ATOM 0 H ARG A 48 5.836 0.823 8.602 1.00 0.00 H new ATOM 0 HA ARG A 48 4.528 -1.587 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.856 0.152 10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.579 1.109 9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.170 -1.113 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.391 -1.601 11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.778 0.698 12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.299 0.557 11.530 1.00 0.00 H new ATOM 0 HE ARG A 48 1.934 -1.975 12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.528 1.172 13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.313 0.489 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.939 -2.757 14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.082 -1.703 15.545 1.00 0.00 H new ATOM 689 N LEU A 49 2.569 0.763 7.629 1.00 0.00 N ATOM 690 CA LEU A 49 1.316 1.197 7.053 1.00 0.00 C ATOM 691 C LEU A 49 1.157 0.600 5.674 1.00 0.00 C ATOM 692 O LEU A 49 0.129 0.022 5.353 1.00 0.00 O ATOM 693 CB LEU A 49 1.446 2.717 7.037 1.00 0.00 C ATOM 694 CG LEU A 49 0.172 3.538 7.061 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.601 4.979 7.371 1.00 0.00 C ATOM 696 CD2 LEU A 49 -0.598 3.508 5.764 1.00 0.00 C ATOM 0 H LEU A 49 3.154 1.561 7.877 1.00 0.00 H new ATOM 0 HA LEU A 49 0.429 0.882 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.049 3.010 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.006 2.995 6.145 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.503 3.120 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.279 5.622 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.106 5.009 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.281 5.331 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.496 4.118 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.025 3.903 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.880 2.481 5.532 1.00 0.00 H new ATOM 708 N PHE A 50 2.219 0.698 4.880 1.00 0.00 N ATOM 709 CA PHE A 50 2.357 0.003 3.614 1.00 0.00 C ATOM 710 C PHE A 50 1.984 -1.478 3.741 1.00 0.00 C ATOM 711 O PHE A 50 1.127 -1.932 2.978 1.00 0.00 O ATOM 712 CB PHE A 50 3.777 0.261 3.092 1.00 0.00 C ATOM 713 CG PHE A 50 4.136 -0.513 1.844 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.447 -0.255 0.644 1.00 0.00 C ATOM 715 CD2 PHE A 50 5.102 -1.540 1.899 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.693 -1.044 -0.487 1.00 0.00 C ATOM 717 CE2 PHE A 50 5.343 -2.335 0.764 1.00 0.00 C ATOM 718 CZ PHE A 50 4.628 -2.086 -0.422 1.00 0.00 C ATOM 0 H PHE A 50 3.025 1.279 5.109 1.00 0.00 H new ATOM 0 HA PHE A 50 1.653 0.386 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.888 1.326 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.490 0.011 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.729 0.551 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.655 -1.715 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.163 -0.850 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.072 -3.131 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.801 -2.704 -1.291 1.00 0.00 H new ATOM 728 N GLY A 51 2.578 -2.245 4.662 1.00 0.00 N ATOM 729 CA GLY A 51 2.218 -3.654 4.804 1.00 0.00 C ATOM 730 C GLY A 51 0.791 -3.839 5.297 1.00 0.00 C ATOM 731 O GLY A 51 0.128 -4.748 4.827 1.00 0.00 O ATOM 0 H GLY A 51 3.297 -1.919 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.336 -4.155 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.906 -4.134 5.500 1.00 0.00 H new ATOM 735 N GLU A 52 0.291 -3.017 6.215 1.00 0.00 N ATOM 736 CA GLU A 52 -1.059 -3.151 6.770 1.00 0.00 C ATOM 737 C GLU A 52 -2.115 -2.877 5.686 1.00 0.00 C ATOM 738 O GLU A 52 -3.118 -3.581 5.573 1.00 0.00 O ATOM 739 CB GLU A 52 -1.201 -2.186 7.952 1.00 0.00 C ATOM 740 CG GLU A 52 -0.407 -2.666 9.173 1.00 0.00 C ATOM 741 CD GLU A 52 -1.087 -3.691 10.091 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.276 -3.552 10.455 1.00 0.00 O ATOM 743 OE2 GLU A 52 -0.362 -4.574 10.609 1.00 0.00 O ATOM 0 H GLU A 52 0.814 -2.231 6.600 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.220 -4.169 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.853 -1.196 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.254 -2.088 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.529 -3.098 8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.149 -1.793 9.773 1.00 0.00 H new ATOM 750 N SER A 53 -1.898 -1.841 4.876 1.00 0.00 N ATOM 751 CA SER A 53 -2.786 -1.381 3.817 1.00 0.00 C ATOM 752 C SER A 53 -2.848 -2.411 2.695 1.00 0.00 C ATOM 753 O SER A 53 -3.935 -2.773 2.256 1.00 0.00 O ATOM 754 CB SER A 53 -2.235 -0.036 3.324 1.00 0.00 C ATOM 755 OG SER A 53 -2.983 0.638 2.327 1.00 0.00 O ATOM 0 H SER A 53 -1.054 -1.273 4.947 1.00 0.00 H new ATOM 0 HA SER A 53 -3.806 -1.254 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.141 0.627 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.229 -0.203 2.938 1.00 0.00 H new ATOM 0 HG SER A 53 -2.372 1.038 1.674 1.00 0.00 H new ATOM 761 N ILE A 54 -1.689 -2.839 2.191 1.00 0.00 N ATOM 762 CA ILE A 54 -1.601 -3.519 0.904 1.00 0.00 C ATOM 763 C ILE A 54 -1.543 -5.029 1.126 1.00 0.00 C ATOM 764 O ILE A 54 -2.212 -5.797 0.439 1.00 0.00 O ATOM 765 CB ILE A 54 -0.392 -2.950 0.120 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.390 -1.415 0.045 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.290 -3.529 -1.301 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.658 -0.779 -0.532 1.00 0.00 C ATOM 0 H ILE A 54 -0.792 -2.723 2.663 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.486 -3.338 0.295 1.00 0.00 H new ATOM 0 HB ILE A 54 0.482 -3.263 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.231 -1.020 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.460 -1.100 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.573 -3.098 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.175 -4.612 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.195 -3.288 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.550 0.306 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.813 -1.135 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.515 -1.054 0.083 1.00 0.00 H new ATOM 780 N LEU A 55 -0.715 -5.466 2.067 1.00 0.00 N ATOM 781 CA LEU A 55 -0.406 -6.888 2.271 1.00 0.00 C ATOM 782 C LEU A 55 -1.290 -7.531 3.332 1.00 0.00 C ATOM 783 O LEU A 55 -1.701 -8.679 3.177 1.00 0.00 O ATOM 784 CB LEU A 55 1.074 -7.056 2.646 1.00 0.00 C ATOM 785 CG LEU A 55 2.000 -6.313 1.679 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.462 -6.580 2.003 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.763 -6.529 0.185 1.00 0.00 C ATOM 0 H LEU A 55 -0.233 -4.845 2.717 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.609 -7.400 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.235 -6.686 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.329 -8.116 2.649 1.00 0.00 H new ATOM 0 HG LEU A 55 1.738 -5.269 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.095 -6.039 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.677 -6.244 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.663 -7.648 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.486 -5.946 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.880 -7.586 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.754 -6.209 -0.073 1.00 0.00 H new ATOM 799 N GLY A 56 -1.581 -6.809 4.409 1.00 0.00 N ATOM 800 CA GLY A 56 -2.016 -7.371 5.673 1.00 0.00 C ATOM 801 C GLY A 56 -0.844 -8.052 6.383 1.00 0.00 C ATOM 802 O GLY A 56 -0.977 -9.214 6.766 1.00 0.00 O ATOM 0 H GLY A 56 -1.518 -5.791 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.426 -6.585 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.815 -8.092 5.502 1.00 0.00 H new ATOM 806 N LEU A 57 0.307 -7.377 6.553 1.00 0.00 N ATOM 807 CA LEU A 57 1.423 -7.892 7.353 1.00 0.00 C ATOM 808 C LEU A 57 1.865 -6.867 8.389 1.00 0.00 C ATOM 809 O LEU A 57 1.893 -5.672 8.091 1.00 0.00 O ATOM 810 CB LEU A 57 2.612 -8.209 6.443 1.00 0.00 C ATOM 811 CG LEU A 57 2.427 -9.493 5.621 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.465 -9.457 4.504 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.608 -10.755 6.476 1.00 0.00 C ATOM 0 H LEU A 57 0.485 -6.462 6.139 1.00 0.00 H new ATOM 0 HA LEU A 57 1.085 -8.795 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.773 -7.372 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.511 -8.303 7.052 1.00 0.00 H new ATOM 0 HG LEU A 57 1.413 -9.534 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.371 -10.353 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.302 -8.575 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.464 -9.417 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.468 -11.639 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.612 -10.765 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.873 -10.758 7.281 1.00 0.00 H new ATOM 825 N THR A 58 2.277 -7.354 9.560 1.00 0.00 N ATOM 826 CA THR A 58 2.802 -6.590 10.680 1.00 0.00 C ATOM 827 C THR A 58 4.180 -5.998 10.340 1.00 0.00 C ATOM 828 O THR A 58 4.861 -6.481 9.435 1.00 0.00 O ATOM 829 CB THR A 58 2.787 -7.522 11.910 1.00 0.00 C ATOM 830 OG1 THR A 58 1.536 -7.393 12.561 1.00 0.00 O ATOM 831 CG2 THR A 58 3.892 -7.287 12.941 1.00 0.00 C ATOM 0 H THR A 58 2.249 -8.354 9.759 1.00 0.00 H new ATOM 0 HA THR A 58 2.187 -5.719 10.908 1.00 0.00 H new ATOM 0 HB THR A 58 2.965 -8.522 11.513 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.512 -7.982 13.344 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.783 -7.998 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.865 -7.424 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.817 -6.271 13.330 1.00 0.00 H new ATOM 839 N GLN A 59 4.611 -4.969 11.086 1.00 0.00 N ATOM 840 CA GLN A 59 5.817 -4.200 10.786 1.00 0.00 C ATOM 841 C GLN A 59 7.035 -5.110 10.735 1.00 0.00 C ATOM 842 O GLN A 59 7.791 -5.042 9.769 1.00 0.00 O ATOM 843 CB GLN A 59 6.022 -3.061 11.801 1.00 0.00 C ATOM 844 CG GLN A 59 6.815 -1.866 11.231 1.00 0.00 C ATOM 845 CD GLN A 59 8.330 -1.910 11.424 1.00 0.00 C ATOM 846 OE1 GLN A 59 8.931 -2.941 11.713 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.988 -0.776 11.235 1.00 0.00 N ATOM 0 H GLN A 59 4.123 -4.648 11.922 1.00 0.00 H new ATOM 0 HA GLN A 59 5.689 -3.746 9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.048 -2.711 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.546 -3.452 12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.607 -1.795 10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.437 -0.953 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.479 0.075 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.003 -0.754 11.329 1.00 0.00 H new ATOM 856 N GLY A 60 7.209 -5.971 11.740 1.00 0.00 N ATOM 857 CA GLY A 60 8.319 -6.905 11.789 1.00 0.00 C ATOM 858 C GLY A 60 8.322 -7.835 10.585 1.00 0.00 C ATOM 859 O GLY A 60 9.362 -8.019 9.951 1.00 0.00 O ATOM 0 H GLY A 60 6.580 -6.035 12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.258 -6.353 11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.260 -7.494 12.704 1.00 0.00 H new ATOM 863 N SER A 61 7.161 -8.404 10.266 1.00 0.00 N ATOM 864 CA SER A 61 6.964 -9.325 9.164 1.00 0.00 C ATOM 865 C SER A 61 7.303 -8.645 7.836 1.00 0.00 C ATOM 866 O SER A 61 7.985 -9.226 6.991 1.00 0.00 O ATOM 867 CB SER A 61 5.502 -9.797 9.188 1.00 0.00 C ATOM 868 OG SER A 61 5.101 -10.152 10.500 1.00 0.00 O ATOM 0 H SER A 61 6.305 -8.226 10.791 1.00 0.00 H new ATOM 0 HA SER A 61 7.625 -10.185 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.855 -9.006 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.382 -10.653 8.524 1.00 0.00 H new ATOM 0 HG SER A 61 4.167 -10.447 10.488 1.00 0.00 H new ATOM 874 N VAL A 62 6.838 -7.416 7.627 1.00 0.00 N ATOM 875 CA VAL A 62 7.013 -6.730 6.361 1.00 0.00 C ATOM 876 C VAL A 62 8.426 -6.155 6.241 1.00 0.00 C ATOM 877 O VAL A 62 8.988 -6.117 5.148 1.00 0.00 O ATOM 878 CB VAL A 62 5.872 -5.707 6.193 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.205 -4.277 6.626 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.427 -5.720 4.738 1.00 0.00 C ATOM 0 H VAL A 62 6.333 -6.875 8.329 1.00 0.00 H new ATOM 0 HA VAL A 62 6.936 -7.423 5.523 1.00 0.00 H new ATOM 0 HB VAL A 62 5.076 -6.021 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.337 -3.637 6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.473 -4.270 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.043 -3.904 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.619 -5.002 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.267 -5.450 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.076 -6.717 4.474 1.00 0.00 H new ATOM 890 N SER A 63 9.037 -5.750 7.355 1.00 0.00 N ATOM 891 CA SER A 63 10.409 -5.280 7.375 1.00 0.00 C ATOM 892 C SER A 63 11.357 -6.438 7.096 1.00 0.00 C ATOM 893 O SER A 63 12.329 -6.243 6.373 1.00 0.00 O ATOM 894 CB SER A 63 10.723 -4.624 8.715 1.00 0.00 C ATOM 895 OG SER A 63 9.846 -3.539 8.928 1.00 0.00 O ATOM 0 H SER A 63 8.586 -5.742 8.270 1.00 0.00 H new ATOM 0 HA SER A 63 10.543 -4.531 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.620 -5.351 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.756 -4.277 8.728 1.00 0.00 H new ATOM 0 HG SER A 63 9.001 -3.869 9.299 1.00 0.00 H new ATOM 901 N ASP A 64 11.070 -7.637 7.612 1.00 0.00 N ATOM 902 CA ASP A 64 11.763 -8.866 7.228 1.00 0.00 C ATOM 903 C ASP A 64 11.655 -9.075 5.720 1.00 0.00 C ATOM 904 O ASP A 64 12.664 -9.312 5.056 1.00 0.00 O ATOM 905 CB ASP A 64 11.173 -10.062 7.993 1.00 0.00 C ATOM 906 CG ASP A 64 11.425 -11.399 7.296 1.00 0.00 C ATOM 907 OD1 ASP A 64 12.601 -11.795 7.130 1.00 0.00 O ATOM 908 OD2 ASP A 64 10.429 -12.077 6.956 1.00 0.00 O ATOM 0 H ASP A 64 10.344 -7.781 8.314 1.00 0.00 H new ATOM 0 HA ASP A 64 12.818 -8.781 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.603 -10.094 8.994 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.099 -9.917 8.111 1.00 0.00 H new ATOM 913 N LEU A 65 10.440 -8.937 5.178 1.00 0.00 N ATOM 914 CA LEU A 65 10.176 -9.150 3.763 1.00 0.00 C ATOM 915 C LEU A 65 10.999 -8.196 2.898 1.00 0.00 C ATOM 916 O LEU A 65 11.536 -8.607 1.872 1.00 0.00 O ATOM 917 CB LEU A 65 8.673 -8.977 3.473 1.00 0.00 C ATOM 918 CG LEU A 65 8.217 -9.899 2.336 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.031 -11.328 2.863 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.901 -9.409 1.727 1.00 0.00 C ATOM 0 H LEU A 65 9.614 -8.674 5.715 1.00 0.00 H new ATOM 0 HA LEU A 65 10.471 -10.169 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.099 -9.195 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.468 -7.940 3.208 1.00 0.00 H new ATOM 0 HG LEU A 65 8.986 -9.888 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.707 -11.977 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.976 -11.694 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.277 -11.330 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.600 -10.081 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.128 -9.393 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.037 -8.404 1.328 1.00 0.00 H new ATOM 932 N LEU A 66 11.066 -6.924 3.299 1.00 0.00 N ATOM 933 CA LEU A 66 11.644 -5.841 2.512 1.00 0.00 C ATOM 934 C LEU A 66 13.144 -5.682 2.700 1.00 0.00 C ATOM 935 O LEU A 66 13.825 -5.214 1.791 1.00 0.00 O ATOM 936 CB LEU A 66 10.933 -4.526 2.866 1.00 0.00 C ATOM 937 CG LEU A 66 9.512 -4.432 2.283 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.867 -3.125 2.726 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.569 -4.494 0.761 1.00 0.00 C ATOM 0 H LEU A 66 10.710 -6.615 4.203 1.00 0.00 H new ATOM 0 HA LEU A 66 11.494 -6.097 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.882 -4.428 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.526 -3.689 2.498 1.00 0.00 H new ATOM 0 HG LEU A 66 8.917 -5.269 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.860 -3.058 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.816 -3.095 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.463 -2.285 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.559 -4.427 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.167 -3.664 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.022 -5.436 0.452 1.00 0.00 H new ATOM 951 N SER A 67 13.665 -6.049 3.862 1.00 0.00 N ATOM 952 CA SER A 67 15.101 -6.229 4.052 1.00 0.00 C ATOM 953 C SER A 67 15.566 -7.410 3.212 1.00 0.00 C ATOM 954 O SER A 67 16.487 -7.276 2.404 1.00 0.00 O ATOM 955 CB SER A 67 15.471 -6.488 5.520 1.00 0.00 C ATOM 956 OG SER A 67 15.984 -5.325 6.134 1.00 0.00 O ATOM 0 H SER A 67 13.109 -6.230 4.698 1.00 0.00 H new ATOM 0 HA SER A 67 15.593 -5.306 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.591 -6.830 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.210 -7.287 5.575 1.00 0.00 H new ATOM 0 HG SER A 67 16.209 -5.520 7.068 1.00 0.00 H new ATOM 962 N ARG A 68 14.979 -8.585 3.454 1.00 0.00 N ATOM 963 CA ARG A 68 15.557 -9.858 3.061 1.00 0.00 C ATOM 964 C ARG A 68 14.513 -10.690 2.332 1.00 0.00 C ATOM 965 O ARG A 68 14.052 -11.694 2.877 1.00 0.00 O ATOM 966 CB ARG A 68 16.118 -10.562 4.306 1.00 0.00 C ATOM 967 CG ARG A 68 17.331 -9.824 4.894 1.00 0.00 C ATOM 968 CD ARG A 68 18.429 -10.807 5.293 1.00 0.00 C ATOM 969 NE ARG A 68 19.081 -11.335 4.086 1.00 0.00 N ATOM 970 CZ ARG A 68 20.194 -12.062 3.993 1.00 0.00 C ATOM 971 NH1 ARG A 68 20.811 -12.502 5.082 1.00 0.00 N ATOM 972 NH2 ARG A 68 20.660 -12.313 2.776 1.00 0.00 N ATOM 0 H ARG A 68 14.082 -8.673 3.932 1.00 0.00 H new ATOM 0 HA ARG A 68 16.385 -9.710 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.337 -10.634 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.406 -11.581 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.720 -9.116 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.022 -9.245 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.163 -10.310 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.005 -11.624 5.876 1.00 0.00 H new ATOM 0 HE ARG A 68 18.621 -11.116 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.434 -12.285 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.662 -13.058 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.169 -11.953 1.958 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.509 -12.866 2.659 1.00 0.00 H new ATOM 986 N PRO A 69 14.142 -10.323 1.100 1.00 0.00 N ATOM 987 CA PRO A 69 13.224 -11.130 0.321 1.00 0.00 C ATOM 988 C PRO A 69 13.883 -12.467 -0.008 1.00 0.00 C ATOM 989 O PRO A 69 15.036 -12.512 -0.452 1.00 0.00 O ATOM 990 CB PRO A 69 12.939 -10.314 -0.934 1.00 0.00 C ATOM 991 CG PRO A 69 14.178 -9.449 -1.096 1.00 0.00 C ATOM 992 CD PRO A 69 14.607 -9.174 0.339 1.00 0.00 C ATOM 0 HA PRO A 69 12.299 -11.358 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.784 -10.956 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.040 -9.708 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.958 -9.965 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.957 -8.527 -1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.689 -9.064 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.166 -8.249 0.712 1.00 0.00 H new ATOM 1000 N LYS A 70 13.146 -13.564 0.155 1.00 0.00 N ATOM 1001 CA LYS A 70 13.494 -14.792 -0.537 1.00 0.00 C ATOM 1002 C LYS A 70 13.320 -14.582 -2.044 1.00 0.00 C ATOM 1003 O LYS A 70 12.565 -13.701 -2.456 1.00 0.00 O ATOM 1004 CB LYS A 70 12.665 -15.965 -0.010 1.00 0.00 C ATOM 1005 CG LYS A 70 13.393 -16.647 1.164 1.00 0.00 C ATOM 1006 CD LYS A 70 12.584 -16.687 2.457 1.00 0.00 C ATOM 1007 CE LYS A 70 11.440 -17.677 2.293 1.00 0.00 C ATOM 1008 NZ LYS A 70 10.570 -17.704 3.485 1.00 0.00 N ATOM 0 H LYS A 70 12.320 -13.624 0.750 1.00 0.00 H new ATOM 0 HA LYS A 70 14.537 -15.044 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.687 -15.611 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.493 -16.686 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.649 -17.667 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.331 -16.123 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.221 -16.982 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.194 -15.696 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.849 -17.410 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.843 -18.674 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.801 -18.389 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.129 -17.983 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.166 -16.759 3.641 1.00 0.00 H new ATOM 1022 N PRO A 71 14.003 -15.378 -2.874 1.00 0.00 N ATOM 1023 CA PRO A 71 13.856 -15.319 -4.319 1.00 0.00 C ATOM 1024 C PRO A 71 12.477 -15.828 -4.738 1.00 0.00 C ATOM 1025 O PRO A 71 11.868 -16.622 -4.018 1.00 0.00 O ATOM 1026 CB PRO A 71 14.977 -16.205 -4.862 1.00 0.00 C ATOM 1027 CG PRO A 71 15.328 -17.155 -3.736 1.00 0.00 C ATOM 1028 CD PRO A 71 14.990 -16.362 -2.477 1.00 0.00 C ATOM 0 HA PRO A 71 13.928 -14.303 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.651 -16.750 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.841 -15.608 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.751 -18.078 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.381 -17.436 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.597 -17.016 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.879 -15.880 -2.070 1.00 0.00 H new ATOM 1036 N TRP A 72 12.016 -15.458 -5.933 1.00 0.00 N ATOM 1037 CA TRP A 72 10.743 -15.920 -6.484 1.00 0.00 C ATOM 1038 C TRP A 72 10.664 -17.454 -6.469 1.00 0.00 C ATOM 1039 O TRP A 72 9.639 -18.017 -6.075 1.00 0.00 O ATOM 1040 CB TRP A 72 10.570 -15.344 -7.893 1.00 0.00 C ATOM 1041 CG TRP A 72 9.252 -15.604 -8.558 1.00 0.00 C ATOM 1042 CD1 TRP A 72 9.040 -16.511 -9.535 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.978 -14.907 -8.390 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.739 -16.424 -9.982 1.00 0.00 N ATOM 1045 CE2 TRP A 72 7.049 -15.420 -9.343 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.525 -13.860 -7.563 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.752 -14.903 -9.486 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.230 -13.325 -7.703 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.346 -13.841 -8.666 1.00 0.00 C ATOM 0 H TRP A 72 12.521 -14.823 -6.551 1.00 0.00 H new ATOM 0 HA TRP A 72 9.921 -15.563 -5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.722 -14.266 -7.843 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.359 -15.748 -8.527 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.780 -17.202 -9.911 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.337 -17.029 -10.698 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.184 -13.460 -6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.075 -15.318 -10.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.914 -12.512 -7.066 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.357 -13.421 -8.774 1.00 0.00 H new ATOM 1060 N HIS A 73 11.765 -18.144 -6.793 1.00 0.00 N ATOM 1061 CA HIS A 73 11.818 -19.605 -6.795 1.00 0.00 C ATOM 1062 C HIS A 73 11.603 -20.245 -5.415 1.00 0.00 C ATOM 1063 O HIS A 73 11.250 -21.426 -5.330 1.00 0.00 O ATOM 1064 CB HIS A 73 13.144 -20.078 -7.402 1.00 0.00 C ATOM 1065 CG HIS A 73 14.372 -20.027 -6.523 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.445 -19.173 -6.642 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.694 -20.950 -5.568 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.381 -19.574 -5.762 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.963 -20.647 -5.065 1.00 0.00 N ATOM 0 H HIS A 73 12.644 -17.701 -7.061 1.00 0.00 H new ATOM 0 HA HIS A 73 10.980 -19.939 -7.408 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.013 -21.107 -7.737 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.341 -19.477 -8.290 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.072 -21.775 -5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.341 -19.097 -5.632 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.466 -21.136 -4.325 1.00 0.00 H new ATOM 1077 N LYS A 74 11.853 -19.502 -4.330 1.00 0.00 N ATOM 1078 CA LYS A 74 11.701 -19.945 -2.940 1.00 0.00 C ATOM 1079 C LYS A 74 10.311 -19.648 -2.401 1.00 0.00 C ATOM 1080 O LYS A 74 9.986 -20.077 -1.288 1.00 0.00 O ATOM 1081 CB LYS A 74 12.735 -19.213 -2.069 1.00 0.00 C ATOM 1082 CG LYS A 74 14.094 -19.918 -2.074 1.00 0.00 C ATOM 1083 CD LYS A 74 14.111 -21.004 -0.995 1.00 0.00 C ATOM 1084 CE LYS A 74 15.253 -21.996 -1.214 1.00 0.00 C ATOM 1085 NZ LYS A 74 14.990 -23.260 -0.491 1.00 0.00 N ATOM 0 H LYS A 74 12.179 -18.538 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 74 11.854 -21.024 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.855 -18.192 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.365 -19.147 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.283 -20.360 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.890 -19.197 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.213 -20.541 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.160 -21.536 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.368 -22.197 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.191 -21.561 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.776 -23.922 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.903 -23.066 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.106 -23.682 -0.840 1.00 0.00 H new ATOM 1099 N LEU A 75 9.499 -18.888 -3.124 1.00 0.00 N ATOM 1100 CA LEU A 75 8.176 -18.495 -2.698 1.00 0.00 C ATOM 1101 C LEU A 75 7.199 -19.337 -3.494 1.00 0.00 C ATOM 1102 O LEU A 75 7.233 -19.322 -4.718 1.00 0.00 O ATOM 1103 CB LEU A 75 7.990 -17.000 -2.969 1.00 0.00 C ATOM 1104 CG LEU A 75 8.956 -16.100 -2.180 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.769 -14.674 -2.673 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.719 -16.173 -0.671 1.00 0.00 C ATOM 0 H LEU A 75 9.754 -18.523 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 75 8.016 -18.654 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.124 -16.814 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.966 -16.721 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 75 9.977 -16.444 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.442 -14.010 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.992 -14.625 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.738 -14.363 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.426 -15.520 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.702 -15.853 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.860 -17.199 -0.330 1.00 0.00 H new ATOM 1118 N SER A 76 6.323 -20.072 -2.820 1.00 0.00 N ATOM 1119 CA SER A 76 5.119 -20.597 -3.461 1.00 0.00 C ATOM 1120 C SER A 76 4.076 -19.480 -3.574 1.00 0.00 C ATOM 1121 O SER A 76 4.347 -18.353 -3.172 1.00 0.00 O ATOM 1122 CB SER A 76 4.603 -21.796 -2.667 1.00 0.00 C ATOM 1123 OG SER A 76 5.532 -22.860 -2.756 1.00 0.00 O ATOM 0 H SER A 76 6.421 -20.318 -1.835 1.00 0.00 H new ATOM 0 HA SER A 76 5.341 -20.943 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.453 -21.517 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.635 -22.112 -3.055 1.00 0.00 H new ATOM 0 HG SER A 76 5.200 -23.628 -2.245 1.00 0.00 H new ATOM 1129 N LEU A 77 2.877 -19.778 -4.082 1.00 0.00 N ATOM 1130 CA LEU A 77 1.815 -18.806 -4.362 1.00 0.00 C ATOM 1131 C LEU A 77 1.589 -17.843 -3.196 1.00 0.00 C ATOM 1132 O LEU A 77 1.825 -16.647 -3.340 1.00 0.00 O ATOM 1133 CB LEU A 77 0.518 -19.522 -4.767 1.00 0.00 C ATOM 1134 CG LEU A 77 0.666 -20.363 -6.048 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.623 -21.141 -6.286 1.00 0.00 C ATOM 1136 CD2 LEU A 77 0.989 -19.516 -7.280 1.00 0.00 C ATOM 0 H LEU A 77 2.609 -20.734 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 77 2.142 -18.197 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.197 -20.169 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.268 -18.781 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 77 1.506 -21.041 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.525 -21.739 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.814 -21.797 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.453 -20.444 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.082 -20.163 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.188 -18.795 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.928 -18.985 -7.121 1.00 0.00 H new ATOM 1148 N LYS A 78 1.190 -18.334 -2.019 1.00 0.00 N ATOM 1149 CA LYS A 78 1.034 -17.508 -0.819 1.00 0.00 C ATOM 1150 C LYS A 78 2.295 -16.701 -0.479 1.00 0.00 C ATOM 1151 O LYS A 78 2.205 -15.595 0.045 1.00 0.00 O ATOM 1152 CB LYS A 78 0.572 -18.321 0.395 1.00 0.00 C ATOM 1153 CG LYS A 78 1.285 -19.655 0.643 1.00 0.00 C ATOM 1154 CD LYS A 78 0.646 -20.801 -0.152 1.00 0.00 C ATOM 1155 CE LYS A 78 1.018 -22.193 0.375 1.00 0.00 C ATOM 1156 NZ LYS A 78 0.557 -22.454 1.753 1.00 0.00 N ATOM 0 H LYS A 78 0.966 -19.318 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 78 0.248 -16.794 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.690 -17.702 1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.494 -18.520 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.335 -19.562 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.255 -19.890 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.438 -20.690 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.951 -20.723 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.594 -22.947 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.101 -22.308 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.629 -23.471 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.150 -21.924 2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.433 -22.150 1.851 1.00 0.00 H new ATOM 1170 N GLY A 79 3.474 -17.230 -0.805 1.00 0.00 N ATOM 1171 CA GLY A 79 4.756 -16.556 -0.684 1.00 0.00 C ATOM 1172 C GLY A 79 4.854 -15.304 -1.541 1.00 0.00 C ATOM 1173 O GLY A 79 5.402 -14.293 -1.106 1.00 0.00 O ATOM 0 H GLY A 79 3.560 -18.177 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.922 -16.289 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.551 -17.246 -0.967 1.00 0.00 H new ATOM 1177 N ARG A 80 4.366 -15.401 -2.773 1.00 0.00 N ATOM 1178 CA ARG A 80 4.449 -14.387 -3.820 1.00 0.00 C ATOM 1179 C ARG A 80 3.310 -13.386 -3.711 1.00 0.00 C ATOM 1180 O ARG A 80 3.464 -12.258 -4.162 1.00 0.00 O ATOM 1181 CB ARG A 80 4.358 -15.096 -5.176 1.00 0.00 C ATOM 1182 CG ARG A 80 5.512 -16.078 -5.384 1.00 0.00 C ATOM 1183 CD ARG A 80 5.220 -16.973 -6.594 1.00 0.00 C ATOM 1184 NE ARG A 80 6.351 -17.864 -6.852 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.621 -18.574 -7.947 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.779 -18.621 -8.974 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.759 -19.254 -7.973 1.00 0.00 N ATOM 0 H ARG A 80 3.873 -16.237 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 80 5.389 -13.845 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.410 -15.630 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.364 -14.354 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.443 -15.532 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.647 -16.689 -4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.320 -17.560 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.026 -16.357 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 80 7.024 -17.954 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.900 -18.105 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.012 -19.173 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.391 -19.221 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.002 -19.810 -8.793 1.00 0.00 H new ATOM 1201 N GLU A 81 2.207 -13.789 -3.078 1.00 0.00 N ATOM 1202 CA GLU A 81 0.991 -13.023 -2.837 1.00 0.00 C ATOM 1203 C GLU A 81 1.283 -11.555 -2.521 1.00 0.00 C ATOM 1204 O GLU A 81 0.794 -10.686 -3.246 1.00 0.00 O ATOM 1205 CB GLU A 81 0.157 -13.739 -1.749 1.00 0.00 C ATOM 1206 CG GLU A 81 -1.334 -13.701 -1.992 1.00 0.00 C ATOM 1207 CD GLU A 81 -2.071 -14.782 -1.203 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.999 -15.957 -1.636 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.748 -14.456 -0.203 1.00 0.00 O ATOM 0 H GLU A 81 2.139 -14.731 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 81 0.396 -12.987 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.478 -14.779 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.369 -13.281 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.722 -12.721 -1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.531 -13.831 -3.056 1.00 0.00 H new ATOM 1216 N PRO A 82 2.124 -11.246 -1.516 1.00 0.00 N ATOM 1217 CA PRO A 82 2.402 -9.865 -1.196 1.00 0.00 C ATOM 1218 C PRO A 82 3.197 -9.159 -2.297 1.00 0.00 C ATOM 1219 O PRO A 82 2.859 -8.039 -2.663 1.00 0.00 O ATOM 1220 CB PRO A 82 3.151 -9.888 0.143 1.00 0.00 C ATOM 1221 CG PRO A 82 3.755 -11.286 0.224 1.00 0.00 C ATOM 1222 CD PRO A 82 2.745 -12.134 -0.540 1.00 0.00 C ATOM 0 HA PRO A 82 1.480 -9.289 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.924 -9.120 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.476 -9.699 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.744 -11.326 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.866 -11.620 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.235 -12.973 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.999 -12.553 0.135 1.00 0.00 H new ATOM 1230 N PHE A 83 4.248 -9.785 -2.833 1.00 0.00 N ATOM 1231 CA PHE A 83 5.122 -9.164 -3.822 1.00 0.00 C ATOM 1232 C PHE A 83 4.377 -8.824 -5.113 1.00 0.00 C ATOM 1233 O PHE A 83 4.670 -7.796 -5.718 1.00 0.00 O ATOM 1234 CB PHE A 83 6.312 -10.068 -4.144 1.00 0.00 C ATOM 1235 CG PHE A 83 7.243 -10.371 -2.994 1.00 0.00 C ATOM 1236 CD1 PHE A 83 6.995 -11.460 -2.138 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.393 -9.584 -2.811 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.894 -11.765 -1.102 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.287 -9.891 -1.776 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.048 -10.983 -0.928 1.00 0.00 C ATOM 0 H PHE A 83 4.514 -10.739 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 83 5.482 -8.235 -3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.931 -11.011 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.891 -9.603 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.110 -12.064 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.587 -8.747 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.699 -12.597 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.167 -9.282 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.750 -11.222 -0.143 1.00 0.00 H new ATOM 1250 N VAL A 84 3.411 -9.649 -5.520 1.00 0.00 N ATOM 1251 CA VAL A 84 2.534 -9.344 -6.644 1.00 0.00 C ATOM 1252 C VAL A 84 1.761 -8.059 -6.331 1.00 0.00 C ATOM 1253 O VAL A 84 1.811 -7.121 -7.126 1.00 0.00 O ATOM 1254 CB VAL A 84 1.646 -10.566 -6.948 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.535 -10.275 -7.964 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.508 -11.719 -7.493 1.00 0.00 C ATOM 0 H VAL A 84 3.217 -10.547 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 84 3.097 -9.152 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 84 1.172 -10.835 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.051 -11.179 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.113 -9.488 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.979 -9.951 -8.906 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.873 -12.579 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.005 -11.400 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.257 -11.996 -6.751 1.00 0.00 H new ATOM 1266 N ARG A 85 1.104 -7.961 -5.163 1.00 0.00 N ATOM 1267 CA ARG A 85 0.407 -6.726 -4.808 1.00 0.00 C ATOM 1268 C ARG A 85 1.370 -5.535 -4.797 1.00 0.00 C ATOM 1269 O ARG A 85 0.998 -4.478 -5.291 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.332 -6.834 -3.463 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.623 -7.665 -3.526 1.00 0.00 C ATOM 1272 CD ARG A 85 -2.367 -7.564 -2.189 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.750 -8.077 -2.244 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.598 -8.112 -1.205 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.208 -7.695 -0.008 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.835 -8.552 -1.385 1.00 0.00 N ATOM 0 H ARG A 85 1.044 -8.705 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.347 -6.560 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.338 -7.277 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.574 -5.831 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.259 -7.306 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.387 -8.706 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.813 -8.118 -1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.387 -6.521 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.086 -8.432 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.259 -7.345 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.857 -7.724 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.137 -8.861 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.485 -8.581 -0.600 1.00 0.00 H new ATOM 1290 N MET A 86 2.604 -5.666 -4.294 1.00 0.00 N ATOM 1291 CA MET A 86 3.602 -4.614 -4.334 1.00 0.00 C ATOM 1292 C MET A 86 3.915 -4.177 -5.760 1.00 0.00 C ATOM 1293 O MET A 86 3.955 -2.978 -6.008 1.00 0.00 O ATOM 1294 CB MET A 86 4.865 -5.089 -3.621 1.00 0.00 C ATOM 1295 CG MET A 86 4.635 -5.295 -2.121 1.00 0.00 C ATOM 1296 SD MET A 86 6.105 -5.151 -1.079 1.00 0.00 S ATOM 1297 CE MET A 86 6.918 -6.687 -1.499 1.00 0.00 C ATOM 0 H MET A 86 2.932 -6.521 -3.844 1.00 0.00 H new ATOM 0 HA MET A 86 3.200 -3.741 -3.820 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.203 -6.024 -4.068 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.661 -4.359 -3.769 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.898 -4.567 -1.781 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.200 -6.283 -1.971 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.885 -6.736 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.300 -7.525 -1.177 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.065 -6.738 -2.578 1.00 0.00 H new ATOM 1307 N GLN A 87 4.139 -5.104 -6.694 1.00 0.00 N ATOM 1308 CA GLN A 87 4.385 -4.758 -8.089 1.00 0.00 C ATOM 1309 C GLN A 87 3.208 -3.957 -8.669 1.00 0.00 C ATOM 1310 O GLN A 87 3.427 -2.974 -9.374 1.00 0.00 O ATOM 1311 CB GLN A 87 4.664 -6.022 -8.902 1.00 0.00 C ATOM 1312 CG GLN A 87 5.211 -5.686 -10.296 1.00 0.00 C ATOM 1313 CD GLN A 87 6.674 -5.227 -10.274 1.00 0.00 C ATOM 1314 OE1 GLN A 87 7.055 -4.167 -9.778 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.554 -6.024 -10.833 1.00 0.00 N ATOM 0 H GLN A 87 4.154 -6.106 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 87 5.267 -4.120 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.381 -6.647 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.747 -6.602 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.122 -6.564 -10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.597 -4.903 -10.741 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.252 -6.906 -11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.540 -5.762 -10.852 1.00 0.00 H new ATOM 1324 N LEU A 88 1.962 -4.352 -8.388 1.00 0.00 N ATOM 1325 CA LEU A 88 0.811 -3.640 -8.938 1.00 0.00 C ATOM 1326 C LEU A 88 0.507 -2.349 -8.182 1.00 0.00 C ATOM 1327 O LEU A 88 -0.033 -1.422 -8.786 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.433 -4.535 -9.026 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.478 -5.484 -10.243 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.176 -4.812 -11.590 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.425 -6.707 -10.059 1.00 0.00 C ATOM 0 H LEU A 88 1.730 -5.147 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 88 1.088 -3.359 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.495 -5.133 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.317 -3.898 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.518 -5.808 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.230 -5.554 -12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.907 -4.025 -11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.824 -4.379 -11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.359 -7.344 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.456 -6.381 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.103 -7.268 -9.181 1.00 0.00 H new ATOM 1343 N TRP A 89 0.885 -2.227 -6.908 1.00 0.00 N ATOM 1344 CA TRP A 89 0.852 -0.969 -6.177 1.00 0.00 C ATOM 1345 C TRP A 89 1.901 -0.031 -6.778 1.00 0.00 C ATOM 1346 O TRP A 89 1.655 1.155 -6.942 1.00 0.00 O ATOM 1347 CB TRP A 89 1.084 -1.249 -4.684 1.00 0.00 C ATOM 1348 CG TRP A 89 0.986 -0.077 -3.754 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.145 0.375 -3.168 1.00 0.00 C ATOM 1350 CD2 TRP A 89 2.052 0.786 -3.261 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.146 1.451 -2.353 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.493 1.735 -2.353 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.439 0.855 -3.495 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.267 2.707 -1.704 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.235 1.816 -2.840 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.652 2.739 -1.948 1.00 0.00 C ATOM 0 H TRP A 89 1.226 -3.012 -6.353 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.118 -0.479 -6.263 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.362 -1.999 -4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.074 -1.691 -4.571 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.130 -0.043 -3.315 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.550 1.970 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.898 0.163 -4.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.809 3.417 -1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.299 1.846 -3.023 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.270 3.472 -1.451 1.00 0.00 H new ATOM 1367 N LEU A 90 3.055 -0.546 -7.201 1.00 0.00 N ATOM 1368 CA LEU A 90 4.059 0.233 -7.920 1.00 0.00 C ATOM 1369 C LEU A 90 3.591 0.663 -9.324 1.00 0.00 C ATOM 1370 O LEU A 90 4.213 1.534 -9.935 1.00 0.00 O ATOM 1371 CB LEU A 90 5.351 -0.580 -8.012 1.00 0.00 C ATOM 1372 CG LEU A 90 6.142 -0.638 -6.692 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.259 -1.668 -6.879 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.660 0.744 -6.276 1.00 0.00 C ATOM 0 H LEU A 90 3.320 -1.520 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 90 4.230 1.152 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.109 -1.596 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.986 -0.150 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 90 5.498 -0.947 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.845 -1.740 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.823 -2.640 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.906 -1.358 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.212 0.659 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.319 1.134 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.818 1.422 -6.140 1.00 0.00 H new ATOM 1386 N ASN A 91 2.501 0.081 -9.833 1.00 0.00 N ATOM 1387 CA ASN A 91 1.830 0.444 -11.088 1.00 0.00 C ATOM 1388 C ASN A 91 0.487 1.137 -10.829 1.00 0.00 C ATOM 1389 O ASN A 91 -0.307 1.274 -11.767 1.00 0.00 O ATOM 1390 CB ASN A 91 1.608 -0.807 -11.974 1.00 0.00 C ATOM 1391 CG ASN A 91 2.827 -1.237 -12.784 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.825 -0.526 -12.859 1.00 0.00 O ATOM 1393 ND2 ASN A 91 2.779 -2.364 -13.474 1.00 0.00 N ATOM 0 H ASN A 91 2.039 -0.695 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 91 2.482 1.143 -11.612 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.300 -1.637 -11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.784 -0.609 -12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.567 -2.636 -14.062 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.954 -2.961 -13.418 1.00 0.00 H new ATOM 1400 N ASP A 92 0.159 1.526 -9.595 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.113 2.192 -9.312 1.00 0.00 C ATOM 1402 C ASP A 92 -0.858 3.697 -9.239 1.00 0.00 C ATOM 1403 O ASP A 92 -0.049 4.125 -8.415 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.725 1.695 -7.999 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.230 1.811 -7.990 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.769 2.950 -7.991 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.873 0.753 -7.845 1.00 0.00 O ATOM 0 H ASP A 92 0.755 1.392 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.823 1.963 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.442 0.655 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.313 2.269 -7.169 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.507 4.531 -10.062 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.227 5.962 -10.091 1.00 0.00 C ATOM 1414 C PRO A 93 -1.657 6.667 -8.796 1.00 0.00 C ATOM 1415 O PRO A 93 -1.121 7.726 -8.467 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.977 6.484 -11.319 1.00 0.00 C ATOM 1417 CG PRO A 93 -3.128 5.490 -11.492 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.543 4.175 -11.012 1.00 0.00 C ATOM 0 HA PRO A 93 -0.158 6.163 -10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.344 7.498 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.335 6.510 -12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.999 5.779 -10.904 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.451 5.429 -12.531 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.307 3.554 -10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.132 3.602 -11.843 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.588 6.076 -8.040 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.060 6.562 -6.744 1.00 0.00 C ATOM 1428 C HIS A 94 -2.648 5.583 -5.637 1.00 0.00 C ATOM 1429 O HIS A 94 -3.383 5.370 -4.669 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.577 6.772 -6.797 1.00 0.00 C ATOM 1431 CG HIS A 94 -5.024 7.972 -7.594 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.723 9.058 -7.103 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -4.877 8.148 -8.943 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -6.031 9.843 -8.147 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.499 9.356 -9.283 1.00 0.00 N ATOM 0 H HIS A 94 -3.050 5.213 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.600 7.523 -6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -5.038 5.880 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.951 6.871 -5.778 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.373 7.477 -9.623 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.625 10.743 -8.084 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.541 9.782 -10.209 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.493 4.944 -5.796 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.899 4.034 -4.823 1.00 0.00 C ATOM 1445 C ASN A 95 -0.681 4.696 -3.463 1.00 0.00 C ATOM 1446 O ASN A 95 -1.259 4.254 -2.467 1.00 0.00 O ATOM 1447 CB ASN A 95 0.398 3.416 -5.374 1.00 0.00 C ATOM 1448 CG ASN A 95 1.556 4.326 -5.758 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.447 5.549 -5.794 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.686 3.724 -6.068 1.00 0.00 N ATOM 0 H ASN A 95 -0.925 5.050 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.612 3.226 -4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.768 2.713 -4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.133 2.834 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.498 4.275 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.749 2.707 -6.030 1.00 0.00 H new ATOM 1457 N VAL A 96 0.148 5.735 -3.412 1.00 0.00 N ATOM 1458 CA VAL A 96 0.560 6.457 -2.227 1.00 0.00 C ATOM 1459 C VAL A 96 -0.599 7.308 -1.726 1.00 0.00 C ATOM 1460 O VAL A 96 -0.756 7.450 -0.521 1.00 0.00 O ATOM 1461 CB VAL A 96 1.802 7.295 -2.589 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.222 8.204 -1.440 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.986 6.379 -2.912 1.00 0.00 C ATOM 0 H VAL A 96 0.574 6.115 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 96 0.829 5.781 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 96 1.532 7.901 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.101 8.779 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.407 8.886 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.460 7.599 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.856 6.985 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.215 5.761 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.731 5.739 -3.756 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.427 7.822 -2.634 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.686 8.500 -2.311 1.00 0.00 C ATOM 1475 C GLU A 97 -3.542 7.611 -1.403 1.00 0.00 C ATOM 1476 O GLU A 97 -3.777 7.960 -0.247 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.439 8.870 -3.601 1.00 0.00 C ATOM 1478 CG GLU A 97 -3.009 10.227 -4.169 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.746 11.387 -3.495 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.499 11.673 -2.302 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -4.590 12.034 -4.163 1.00 0.00 O ATOM 0 H GLU A 97 -1.240 7.779 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.468 9.424 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.269 8.097 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.510 8.888 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.935 10.353 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.201 10.249 -5.242 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.967 6.441 -1.896 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.790 5.518 -1.113 1.00 0.00 C ATOM 1490 C LYS A 98 -4.077 5.097 0.169 1.00 0.00 C ATOM 1491 O LYS A 98 -4.701 5.011 1.223 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.174 4.282 -1.944 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.596 4.357 -2.521 1.00 0.00 C ATOM 1494 CD LYS A 98 -6.714 5.255 -3.765 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.828 4.477 -5.087 1.00 0.00 C ATOM 1496 NZ LYS A 98 -5.713 3.533 -5.328 1.00 0.00 N ATOM 0 H LYS A 98 -3.752 6.113 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.704 6.044 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.463 4.167 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.089 3.392 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.928 3.351 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.272 4.728 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.588 5.897 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.843 5.908 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.767 3.923 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.874 5.188 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.747 3.200 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.807 4.014 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.801 2.721 -4.685 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.766 4.859 0.104 1.00 0.00 N ATOM 1511 CA LEU A 99 -2.005 4.493 1.288 1.00 0.00 C ATOM 1512 C LEU A 99 -2.025 5.614 2.335 1.00 0.00 C ATOM 1513 O LEU A 99 -2.117 5.345 3.529 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.564 4.148 0.885 1.00 0.00 C ATOM 1515 CG LEU A 99 0.292 3.730 2.088 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.226 2.453 2.719 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.732 3.467 1.666 1.00 0.00 C ATOM 0 H LEU A 99 -2.216 4.914 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.469 3.618 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.577 3.341 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.108 5.011 0.400 1.00 0.00 H new ATOM 0 HG LEU A 99 0.241 4.552 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.403 2.185 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.250 2.605 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.204 1.649 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.318 3.172 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.754 2.667 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.156 4.373 1.233 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.914 6.880 1.933 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.959 7.992 2.877 1.00 0.00 C ATOM 1531 C ARG A 100 -3.366 8.143 3.455 1.00 0.00 C ATOM 1532 O ARG A 100 -3.503 8.685 4.552 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.583 9.299 2.173 1.00 0.00 C ATOM 1534 CG ARG A 100 -0.078 9.462 1.931 1.00 0.00 C ATOM 1535 CD ARG A 100 0.098 10.546 0.867 1.00 0.00 C ATOM 1536 NE ARG A 100 1.488 11.015 0.749 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.953 11.720 -0.293 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.109 12.163 -1.222 1.00 0.00 N ATOM 1539 NH2 ARG A 100 3.248 11.986 -0.385 1.00 0.00 N ATOM 0 H ARG A 100 -1.792 7.159 0.960 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.250 7.783 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.103 9.348 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.938 10.138 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.431 9.743 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.361 8.522 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.232 10.158 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.546 11.392 1.108 1.00 0.00 H new ATOM 0 HE ARG A 100 2.136 10.791 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.112 11.966 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.460 12.699 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.889 11.655 0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.604 12.522 -1.177 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.398 7.702 2.733 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.799 7.706 3.159 1.00 0.00 C ATOM 1555 C ASP A 101 -5.960 6.864 4.422 1.00 0.00 C ATOM 1556 O ASP A 101 -6.559 7.326 5.385 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.701 7.221 2.009 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.986 8.028 1.819 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.994 9.262 2.032 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.940 7.481 1.224 1.00 0.00 O ATOM 0 H ASP A 101 -4.275 7.316 1.797 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.109 8.722 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.130 7.250 1.081 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.966 6.179 2.188 1.00 0.00 H new