USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 664 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 50 TYR OH : rot 180:sc= -0.25 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 158:sc= -0.0604 (180deg=-0.342) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 22 ASN : amide:sc= 0.0964 X(o=0.096,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 41 GLN : amide:sc= -2.62! X(o=-2.6!,f=-2.7) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.42! K(o=-2.4!,f=-1.6) USER MOD Single : A 67 GLN : amide:sc= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 74 SER OG : rot -132:sc= 0.844 USER MOD Single : A 76 ASN : amide:sc= -2.86 K(o=-2.9,f=-2.3!) USER MOD Single : A 78 GLN : amide:sc= -4.09! C(o=-4.1!,f=-5.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.7!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 86 GLN : amide:sc= 0.134 X(o=0.13,f=-0.016) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 160:sc= -1.17 USER MOD Single : A 104 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.5!) USER MOD Single : A 105 HIS : no HE2:sc= -0.462 K(o=-0.46,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 16 -6.881 1.285 3.213 1.00 0.00 N ATOM 197 CA VAL A 16 -5.564 0.682 3.044 1.00 0.00 C ATOM 198 C VAL A 16 -5.569 -0.780 3.479 1.00 0.00 C ATOM 199 O VAL A 16 -6.136 -1.129 4.515 1.00 0.00 O ATOM 200 CB VAL A 16 -4.492 1.441 3.848 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.351 0.511 4.229 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.977 2.633 3.054 1.00 0.00 C ATOM 0 HA VAL A 16 -5.322 0.742 1.983 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.947 1.813 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.604 1.066 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.736 -0.307 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.894 0.107 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.220 3.159 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.538 2.285 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.803 3.310 2.837 1.00 0.00 H new ATOM 212 N THR A 17 -4.933 -1.631 2.681 1.00 0.00 N ATOM 213 CA THR A 17 -4.864 -3.055 2.983 1.00 0.00 C ATOM 214 C THR A 17 -3.472 -3.610 2.703 1.00 0.00 C ATOM 215 O THR A 17 -2.848 -3.267 1.699 1.00 0.00 O ATOM 216 CB THR A 17 -5.896 -3.854 2.164 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.541 -3.836 0.777 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.292 -3.276 2.342 1.00 0.00 C ATOM 0 H THR A 17 -4.458 -1.359 1.820 1.00 0.00 H new ATOM 0 HA THR A 17 -5.089 -3.164 4.044 1.00 0.00 H new ATOM 0 HB THR A 17 -5.896 -4.882 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.201 -4.347 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.004 -3.856 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.571 -3.317 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.302 -2.240 2.004 1.00 0.00 H new ATOM 226 N GLU A 18 -2.992 -4.469 3.597 1.00 0.00 N ATOM 227 CA GLU A 18 -1.672 -5.071 3.444 1.00 0.00 C ATOM 228 C GLU A 18 -1.779 -6.476 2.860 1.00 0.00 C ATOM 229 O GLU A 18 -2.442 -7.345 3.425 1.00 0.00 O ATOM 230 CB GLU A 18 -0.952 -5.121 4.793 1.00 0.00 C ATOM 231 CG GLU A 18 -0.239 -3.828 5.151 1.00 0.00 C ATOM 232 CD GLU A 18 -0.164 -3.598 6.648 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.240 -4.533 7.372 1.00 0.00 O ATOM 234 OE2 GLU A 18 -0.508 -2.485 7.096 1.00 0.00 O ATOM 0 H GLU A 18 -3.496 -4.763 4.433 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.096 -4.453 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.676 -5.355 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.226 -5.934 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.770 -3.848 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.757 -2.990 4.684 1.00 0.00 H new ATOM 241 N GLU A 19 -1.123 -6.690 1.724 1.00 0.00 N ATOM 242 CA GLU A 19 -1.145 -7.989 1.062 1.00 0.00 C ATOM 243 C GLU A 19 0.264 -8.560 0.937 1.00 0.00 C ATOM 244 O GLU A 19 1.240 -7.817 0.839 1.00 0.00 O ATOM 245 CB GLU A 19 -1.784 -7.869 -0.324 1.00 0.00 C ATOM 246 CG GLU A 19 -1.805 -9.176 -1.099 1.00 0.00 C ATOM 247 CD GLU A 19 -2.651 -10.239 -0.426 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.770 -9.913 0.022 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.194 -11.399 -0.348 1.00 0.00 O ATOM 0 H GLU A 19 -0.570 -5.981 1.243 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.741 -8.669 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.806 -7.505 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.240 -7.122 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.189 -8.993 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.785 -9.545 -1.210 1.00 0.00 H new ATOM 256 N GLU A 20 0.361 -9.886 0.941 1.00 0.00 N ATOM 257 CA GLU A 20 1.651 -10.557 0.830 1.00 0.00 C ATOM 258 C GLU A 20 1.807 -11.212 -0.540 1.00 0.00 C ATOM 259 O GLU A 20 1.055 -12.121 -0.894 1.00 0.00 O ATOM 260 CB GLU A 20 1.800 -11.610 1.930 1.00 0.00 C ATOM 261 CG GLU A 20 3.242 -11.869 2.333 1.00 0.00 C ATOM 262 CD GLU A 20 3.387 -13.075 3.241 1.00 0.00 C ATOM 263 OE1 GLU A 20 2.912 -14.165 2.861 1.00 0.00 O ATOM 264 OE2 GLU A 20 3.975 -12.927 4.333 1.00 0.00 O ATOM 0 H GLU A 20 -0.437 -10.516 1.020 1.00 0.00 H new ATOM 0 HA GLU A 20 2.433 -9.807 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.238 -11.289 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.353 -12.544 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.844 -12.019 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.638 -10.988 2.839 1.00 0.00 H new ATOM 271 N ILE A 21 2.787 -10.744 -1.305 1.00 0.00 N ATOM 272 CA ILE A 21 3.042 -11.284 -2.635 1.00 0.00 C ATOM 273 C ILE A 21 4.296 -12.152 -2.644 1.00 0.00 C ATOM 274 O ILE A 21 5.415 -11.644 -2.609 1.00 0.00 O ATOM 275 CB ILE A 21 3.201 -10.161 -3.677 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.030 -9.180 -3.584 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.298 -10.748 -5.077 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.709 -9.774 -4.020 1.00 0.00 C ATOM 0 H ILE A 21 3.418 -9.992 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 21 2.178 -11.894 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 21 4.123 -9.618 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.940 -8.830 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.248 -8.307 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.410 -9.942 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.161 -11.411 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.392 -11.312 -5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.076 -9.023 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.781 -10.098 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.469 -10.629 -3.389 1.00 0.00 H new ATOM 290 N ASN A 22 4.099 -13.465 -2.693 1.00 0.00 N ATOM 291 CA ASN A 22 5.214 -14.406 -2.709 1.00 0.00 C ATOM 292 C ASN A 22 5.519 -14.863 -4.132 1.00 0.00 C ATOM 293 O ASN A 22 4.782 -15.663 -4.711 1.00 0.00 O ATOM 294 CB ASN A 22 4.899 -15.616 -1.828 1.00 0.00 C ATOM 295 CG ASN A 22 5.070 -15.317 -0.351 1.00 0.00 C ATOM 296 OD1 ASN A 22 6.058 -15.717 0.265 1.00 0.00 O ATOM 297 ND2 ASN A 22 4.104 -14.609 0.224 1.00 0.00 N ATOM 0 H ASN A 22 3.178 -13.902 -2.722 1.00 0.00 H new ATOM 0 HA ASN A 22 6.093 -13.897 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.875 -15.940 -2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.551 -16.444 -2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.163 -14.376 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.303 -14.298 -0.326 1.00 0.00 H new ATOM 304 N LEU A 23 6.611 -14.352 -4.690 1.00 0.00 N ATOM 305 CA LEU A 23 7.015 -14.709 -6.046 1.00 0.00 C ATOM 306 C LEU A 23 8.291 -15.545 -6.031 1.00 0.00 C ATOM 307 O LEU A 23 9.022 -15.566 -5.041 1.00 0.00 O ATOM 308 CB LEU A 23 7.228 -13.447 -6.884 1.00 0.00 C ATOM 309 CG LEU A 23 5.972 -12.639 -7.213 1.00 0.00 C ATOM 310 CD1 LEU A 23 6.346 -11.291 -7.809 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.073 -13.415 -8.164 1.00 0.00 C ATOM 0 H LEU A 23 7.232 -13.690 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 23 6.218 -15.304 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.925 -12.797 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.707 -13.733 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 23 5.423 -12.464 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.440 -10.730 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.949 -10.732 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.918 -11.444 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.184 -12.825 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.613 -13.621 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.777 -14.355 -7.699 1.00 0.00 H new ATOM 323 N THR A 24 8.554 -16.233 -7.138 1.00 0.00 N ATOM 324 CA THR A 24 9.741 -17.070 -7.253 1.00 0.00 C ATOM 325 C THR A 24 10.751 -16.462 -8.220 1.00 0.00 C ATOM 326 O THR A 24 10.377 -15.874 -9.235 1.00 0.00 O ATOM 327 CB THR A 24 9.383 -18.490 -7.730 1.00 0.00 C ATOM 328 OG1 THR A 24 8.338 -19.032 -6.914 1.00 0.00 O ATOM 329 CG2 THR A 24 10.600 -19.402 -7.675 1.00 0.00 C ATOM 0 H THR A 24 7.960 -16.227 -7.967 1.00 0.00 H new ATOM 0 HA THR A 24 10.183 -17.129 -6.259 1.00 0.00 H new ATOM 0 HB THR A 24 9.042 -18.427 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.115 -19.934 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.323 -20.399 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.383 -19.003 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.967 -19.458 -6.650 1.00 0.00 H new ATOM 337 N ARG A 25 12.033 -16.607 -7.899 1.00 0.00 N ATOM 338 CA ARG A 25 13.097 -16.071 -8.739 1.00 0.00 C ATOM 339 C ARG A 25 13.413 -17.023 -9.889 1.00 0.00 C ATOM 340 O ARG A 25 13.711 -18.197 -9.673 1.00 0.00 O ATOM 341 CB ARG A 25 14.356 -15.823 -7.908 1.00 0.00 C ATOM 342 CG ARG A 25 15.599 -15.568 -8.745 1.00 0.00 C ATOM 343 CD ARG A 25 16.588 -14.673 -8.017 1.00 0.00 C ATOM 344 NE ARG A 25 17.937 -14.788 -8.564 1.00 0.00 N ATOM 345 CZ ARG A 25 18.750 -15.807 -8.308 1.00 0.00 C ATOM 346 NH1 ARG A 25 18.352 -16.794 -7.517 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.963 -15.841 -8.844 1.00 0.00 N ATOM 0 H ARG A 25 12.360 -17.091 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 25 12.754 -15.125 -9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.187 -14.967 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.532 -16.685 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.076 -16.517 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.314 -15.104 -9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.257 -13.637 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.603 -14.935 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 25 18.274 -14.045 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.420 -16.772 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 25 18.978 -17.575 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.273 -15.084 -9.454 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.586 -16.624 -8.646 1.00 0.00 H new ATOM 400 N LEU A 30 13.852 -11.605 -11.497 1.00 0.00 N ATOM 401 CA LEU A 30 12.435 -11.317 -11.298 1.00 0.00 C ATOM 402 C LEU A 30 11.753 -10.998 -12.625 1.00 0.00 C ATOM 403 O LEU A 30 12.378 -11.047 -13.683 1.00 0.00 O ATOM 404 CB LEU A 30 12.264 -10.147 -10.328 1.00 0.00 C ATOM 405 CG LEU A 30 12.598 -10.434 -8.864 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.524 -9.158 -8.040 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.659 -11.490 -8.300 1.00 0.00 C ATOM 0 HA LEU A 30 11.965 -12.204 -10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.893 -9.324 -10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.231 -9.803 -10.383 1.00 0.00 H new ATOM 0 HG LEU A 30 13.617 -10.817 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.765 -9.382 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.237 -8.432 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.517 -8.745 -8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.911 -11.682 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.631 -11.135 -8.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.761 -12.411 -8.873 1.00 0.00 H new ATOM 419 N GLY A 31 10.467 -10.668 -12.558 1.00 0.00 N ATOM 420 CA GLY A 31 9.721 -10.343 -13.760 1.00 0.00 C ATOM 421 C GLY A 31 9.027 -8.999 -13.666 1.00 0.00 C ATOM 422 O GLY A 31 7.884 -8.851 -14.099 1.00 0.00 O ATOM 0 H GLY A 31 9.928 -10.620 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.398 -10.340 -14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.979 -11.120 -13.944 1.00 0.00 H new ATOM 426 N PHE A 32 9.717 -8.016 -13.098 1.00 0.00 N ATOM 427 CA PHE A 32 9.159 -6.678 -12.945 1.00 0.00 C ATOM 428 C PHE A 32 10.213 -5.704 -12.428 1.00 0.00 C ATOM 429 O PHE A 32 11.166 -6.102 -11.759 1.00 0.00 O ATOM 430 CB PHE A 32 7.963 -6.707 -11.991 1.00 0.00 C ATOM 431 CG PHE A 32 8.348 -6.910 -10.553 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.654 -8.175 -10.077 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.404 -5.837 -9.679 1.00 0.00 C ATOM 434 CE1 PHE A 32 9.009 -8.366 -8.755 1.00 0.00 C ATOM 435 CE2 PHE A 32 8.758 -6.022 -8.356 1.00 0.00 C ATOM 436 CZ PHE A 32 9.060 -7.287 -7.893 1.00 0.00 C ATOM 0 H PHE A 32 10.665 -8.121 -12.736 1.00 0.00 H new ATOM 0 HA PHE A 32 8.825 -6.337 -13.925 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.412 -5.771 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.286 -7.506 -12.294 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.615 -9.021 -10.747 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.168 -4.845 -10.035 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.246 -9.357 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.798 -5.177 -7.684 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.336 -7.433 -6.859 1.00 0.00 H new ATOM 446 N ASN A 33 10.035 -4.425 -12.743 1.00 0.00 N ATOM 447 CA ASN A 33 10.971 -3.394 -12.311 1.00 0.00 C ATOM 448 C ASN A 33 10.438 -2.651 -11.090 1.00 0.00 C ATOM 449 O ASN A 33 9.236 -2.662 -10.821 1.00 0.00 O ATOM 450 CB ASN A 33 11.233 -2.405 -13.449 1.00 0.00 C ATOM 451 CG ASN A 33 12.275 -2.912 -14.428 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.394 -3.249 -14.041 1.00 0.00 O ATOM 453 ND2 ASN A 33 11.910 -2.967 -15.704 1.00 0.00 N ATOM 0 H ASN A 33 9.251 -4.078 -13.296 1.00 0.00 H new ATOM 0 HA ASN A 33 11.907 -3.881 -12.038 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.301 -2.213 -13.981 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.563 -1.454 -13.031 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.568 -3.299 -16.409 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.971 -2.677 -15.979 1.00 0.00 H new ATOM 460 N ILE A 34 11.338 -2.007 -10.356 1.00 0.00 N ATOM 461 CA ILE A 34 10.958 -1.258 -9.164 1.00 0.00 C ATOM 462 C ILE A 34 11.559 0.143 -9.181 1.00 0.00 C ATOM 463 O ILE A 34 12.559 0.393 -9.854 1.00 0.00 O ATOM 464 CB ILE A 34 11.403 -1.981 -7.879 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.878 -2.376 -7.975 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.536 -3.207 -7.634 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.550 -2.532 -6.628 1.00 0.00 C ATOM 0 H ILE A 34 12.336 -1.988 -10.565 1.00 0.00 H new ATOM 0 HA ILE A 34 9.871 -1.184 -9.171 1.00 0.00 H new ATOM 0 HB ILE A 34 11.282 -1.300 -7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 34 12.960 -3.314 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.411 -1.621 -8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.863 -3.707 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.495 -2.901 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.628 -3.892 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.593 -2.813 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.500 -1.588 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.041 -3.308 -6.055 1.00 0.00 H new ATOM 479 N VAL A 35 10.944 1.053 -8.433 1.00 0.00 N ATOM 480 CA VAL A 35 11.421 2.429 -8.358 1.00 0.00 C ATOM 481 C VAL A 35 11.395 2.943 -6.923 1.00 0.00 C ATOM 482 O VAL A 35 10.343 2.985 -6.286 1.00 0.00 O ATOM 483 CB VAL A 35 10.574 3.365 -9.241 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.729 2.999 -10.710 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.112 3.313 -8.823 1.00 0.00 C ATOM 0 H VAL A 35 10.115 0.863 -7.870 1.00 0.00 H new ATOM 0 HA VAL A 35 12.448 2.428 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 35 10.932 4.386 -9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.123 3.671 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.776 3.092 -11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.399 1.972 -10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.528 3.980 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.739 2.294 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.019 3.627 -7.783 1.00 0.00 H new ATOM 495 N GLY A 36 12.562 3.333 -6.419 1.00 0.00 N ATOM 496 CA GLY A 36 12.652 3.839 -5.062 1.00 0.00 C ATOM 497 C GLY A 36 14.014 4.427 -4.751 1.00 0.00 C ATOM 498 O GLY A 36 14.910 4.415 -5.594 1.00 0.00 O ATOM 0 H GLY A 36 13.446 3.307 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.888 4.601 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.440 3.031 -4.362 1.00 0.00 H new ATOM 502 N GLY A 37 14.171 4.944 -3.536 1.00 0.00 N ATOM 503 CA GLY A 37 15.436 5.533 -3.138 1.00 0.00 C ATOM 504 C GLY A 37 15.320 7.017 -2.851 1.00 0.00 C ATOM 505 O GLY A 37 14.900 7.793 -3.710 1.00 0.00 O ATOM 0 H GLY A 37 13.444 4.965 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.807 5.022 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.171 5.375 -3.927 1.00 0.00 H new ATOM 509 N THR A 38 15.691 7.414 -1.638 1.00 0.00 N ATOM 510 CA THR A 38 15.624 8.814 -1.238 1.00 0.00 C ATOM 511 C THR A 38 16.129 9.728 -2.348 1.00 0.00 C ATOM 512 O THR A 38 15.667 10.860 -2.492 1.00 0.00 O ATOM 513 CB THR A 38 16.445 9.074 0.039 1.00 0.00 C ATOM 514 OG1 THR A 38 17.764 8.536 -0.109 1.00 0.00 O ATOM 515 CG2 THR A 38 15.771 8.451 1.252 1.00 0.00 C ATOM 0 H THR A 38 16.041 6.785 -0.915 1.00 0.00 H new ATOM 0 HA THR A 38 14.576 9.035 -1.038 1.00 0.00 H new ATOM 0 HB THR A 38 16.507 10.151 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.280 8.707 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.369 8.648 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.779 8.884 1.379 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.682 7.375 1.106 1.00 0.00 H new ATOM 523 N ASP A 39 17.080 9.229 -3.131 1.00 0.00 N ATOM 524 CA ASP A 39 17.647 10.001 -4.231 1.00 0.00 C ATOM 525 C ASP A 39 16.830 9.812 -5.505 1.00 0.00 C ATOM 526 O ASP A 39 16.643 10.752 -6.278 1.00 0.00 O ATOM 527 CB ASP A 39 19.100 9.589 -4.475 1.00 0.00 C ATOM 528 CG ASP A 39 19.786 10.467 -5.503 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.081 11.035 -6.364 1.00 0.00 O ATOM 530 OD2 ASP A 39 21.027 10.588 -5.445 1.00 0.00 O ATOM 0 H ASP A 39 17.474 8.294 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 39 17.618 11.055 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.651 9.636 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.129 8.552 -4.810 1.00 0.00 H new ATOM 535 N GLN A 40 16.349 8.592 -5.718 1.00 0.00 N ATOM 536 CA GLN A 40 15.554 8.280 -6.900 1.00 0.00 C ATOM 537 C GLN A 40 14.083 8.110 -6.537 1.00 0.00 C ATOM 538 O GLN A 40 13.367 7.325 -7.160 1.00 0.00 O ATOM 539 CB GLN A 40 16.076 7.009 -7.572 1.00 0.00 C ATOM 540 CG GLN A 40 17.577 7.023 -7.817 1.00 0.00 C ATOM 541 CD GLN A 40 17.962 7.851 -9.027 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.967 9.081 -8.976 1.00 0.00 O ATOM 543 NE2 GLN A 40 18.288 7.179 -10.125 1.00 0.00 N ATOM 0 H GLN A 40 16.496 7.803 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 40 15.644 9.113 -7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.826 6.150 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.562 6.874 -8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.082 7.418 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.929 6.000 -7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 40 18.270 6.159 -10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.556 7.683 -10.970 1.00 0.00 H new ATOM 552 N GLN A 41 13.638 8.849 -5.526 1.00 0.00 N ATOM 553 CA GLN A 41 12.252 8.778 -5.080 1.00 0.00 C ATOM 554 C GLN A 41 11.293 9.039 -6.238 1.00 0.00 C ATOM 555 O GLN A 41 11.296 10.119 -6.828 1.00 0.00 O ATOM 556 CB GLN A 41 12.002 9.788 -3.959 1.00 0.00 C ATOM 557 CG GLN A 41 12.708 9.440 -2.658 1.00 0.00 C ATOM 558 CD GLN A 41 12.216 10.268 -1.488 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.011 10.833 -0.735 1.00 0.00 O ATOM 560 NE2 GLN A 41 10.900 10.346 -1.329 1.00 0.00 N ATOM 0 H GLN A 41 14.217 9.504 -5.000 1.00 0.00 H new ATOM 0 HA GLN A 41 12.070 7.772 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.331 10.773 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.930 9.855 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.558 8.383 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.781 9.591 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.278 9.862 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.511 10.890 -0.559 1.00 0.00 H new ATOM 569 N TYR A 42 10.475 8.042 -6.558 1.00 0.00 N ATOM 570 CA TYR A 42 9.513 8.163 -7.647 1.00 0.00 C ATOM 571 C TYR A 42 8.704 9.450 -7.519 1.00 0.00 C ATOM 572 O TYR A 42 8.480 10.156 -8.503 1.00 0.00 O ATOM 573 CB TYR A 42 8.573 6.956 -7.661 1.00 0.00 C ATOM 574 CG TYR A 42 7.767 6.832 -8.934 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.381 6.527 -10.142 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.390 7.018 -8.928 1.00 0.00 C ATOM 577 CE1 TYR A 42 7.648 6.414 -11.308 1.00 0.00 C ATOM 578 CE2 TYR A 42 5.649 6.904 -10.088 1.00 0.00 C ATOM 579 CZ TYR A 42 6.282 6.603 -11.275 1.00 0.00 C ATOM 580 OH TYR A 42 5.549 6.489 -12.434 1.00 0.00 O ATOM 0 H TYR A 42 10.459 7.142 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 42 10.067 8.195 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.159 6.048 -7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.891 7.028 -6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.450 6.376 -10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.891 7.256 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.142 6.179 -12.239 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.579 7.050 -10.065 1.00 0.00 H new ATOM 0 HH TYR A 42 4.602 6.650 -12.239 1.00 0.00 H new ATOM 590 N VAL A 43 8.269 9.750 -6.299 1.00 0.00 N ATOM 591 CA VAL A 43 7.487 10.952 -6.041 1.00 0.00 C ATOM 592 C VAL A 43 8.005 11.691 -4.812 1.00 0.00 C ATOM 593 O VAL A 43 8.552 11.082 -3.893 1.00 0.00 O ATOM 594 CB VAL A 43 5.997 10.619 -5.836 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.160 11.889 -5.845 1.00 0.00 C ATOM 596 CG2 VAL A 43 5.517 9.647 -6.902 1.00 0.00 C ATOM 0 H VAL A 43 8.445 9.177 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 43 7.591 11.592 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 43 5.880 10.142 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.110 11.634 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.489 12.547 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.280 12.397 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.462 9.423 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.647 10.094 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.097 8.726 -6.842 1.00 0.00 H new ATOM 606 N SER A 44 7.828 13.009 -4.802 1.00 0.00 N ATOM 607 CA SER A 44 8.281 13.832 -3.687 1.00 0.00 C ATOM 608 C SER A 44 7.718 13.316 -2.367 1.00 0.00 C ATOM 609 O SER A 44 8.339 13.464 -1.315 1.00 0.00 O ATOM 610 CB SER A 44 7.861 15.289 -3.898 1.00 0.00 C ATOM 611 OG SER A 44 8.464 16.137 -2.937 1.00 0.00 O ATOM 0 H SER A 44 7.374 13.529 -5.553 1.00 0.00 H new ATOM 0 HA SER A 44 9.369 13.776 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.144 15.611 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.776 15.372 -3.831 1.00 0.00 H new ATOM 0 HG SER A 44 8.181 17.062 -3.094 1.00 0.00 H new ATOM 617 N ASN A 45 6.538 12.708 -2.431 1.00 0.00 N ATOM 618 CA ASN A 45 5.890 12.169 -1.240 1.00 0.00 C ATOM 619 C ASN A 45 6.022 10.650 -1.190 1.00 0.00 C ATOM 620 O ASN A 45 5.483 10.000 -0.294 1.00 0.00 O ATOM 621 CB ASN A 45 4.412 12.566 -1.215 1.00 0.00 C ATOM 622 CG ASN A 45 4.203 13.987 -0.730 1.00 0.00 C ATOM 623 OD1 ASN A 45 3.933 14.219 0.448 1.00 0.00 O ATOM 624 ND2 ASN A 45 4.327 14.947 -1.640 1.00 0.00 N ATOM 0 H ASN A 45 6.011 12.576 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 45 6.386 12.588 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.994 12.462 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.865 11.880 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.197 15.923 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.552 14.708 -2.606 1.00 0.00 H new ATOM 631 N ASP A 46 6.742 10.092 -2.157 1.00 0.00 N ATOM 632 CA ASP A 46 6.946 8.650 -2.222 1.00 0.00 C ATOM 633 C ASP A 46 8.432 8.309 -2.175 1.00 0.00 C ATOM 634 O ASP A 46 9.194 8.684 -3.066 1.00 0.00 O ATOM 635 CB ASP A 46 6.320 8.082 -3.497 1.00 0.00 C ATOM 636 CG ASP A 46 4.853 8.439 -3.631 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.460 9.522 -3.149 1.00 0.00 O ATOM 638 OD2 ASP A 46 4.098 7.636 -4.217 1.00 0.00 O ATOM 0 H ASP A 46 7.194 10.616 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 46 6.461 8.200 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.863 8.459 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.429 6.997 -3.499 1.00 0.00 H new ATOM 643 N SER A 47 8.838 7.596 -1.128 1.00 0.00 N ATOM 644 CA SER A 47 10.234 7.209 -0.962 1.00 0.00 C ATOM 645 C SER A 47 10.388 5.693 -1.024 1.00 0.00 C ATOM 646 O SER A 47 11.386 5.179 -1.527 1.00 0.00 O ATOM 647 CB SER A 47 10.775 7.734 0.369 1.00 0.00 C ATOM 648 OG SER A 47 9.908 7.402 1.439 1.00 0.00 O ATOM 0 H SER A 47 8.220 7.275 -0.383 1.00 0.00 H new ATOM 0 HA SER A 47 10.807 7.649 -1.778 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.764 7.314 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.893 8.816 0.315 1.00 0.00 H new ATOM 0 HG SER A 47 10.277 7.747 2.278 1.00 0.00 H new ATOM 654 N GLY A 48 9.390 4.981 -0.508 1.00 0.00 N ATOM 655 CA GLY A 48 9.433 3.530 -0.515 1.00 0.00 C ATOM 656 C GLY A 48 9.629 2.962 -1.906 1.00 0.00 C ATOM 657 O GLY A 48 9.749 3.709 -2.878 1.00 0.00 O ATOM 0 H GLY A 48 8.553 5.383 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.243 3.191 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.506 3.140 -0.094 1.00 0.00 H new ATOM 661 N ILE A 49 9.664 1.637 -2.003 1.00 0.00 N ATOM 662 CA ILE A 49 9.847 0.970 -3.286 1.00 0.00 C ATOM 663 C ILE A 49 8.506 0.675 -3.949 1.00 0.00 C ATOM 664 O ILE A 49 7.568 0.214 -3.298 1.00 0.00 O ATOM 665 CB ILE A 49 10.631 -0.346 -3.130 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.950 -0.096 -2.395 1.00 0.00 C ATOM 667 CG2 ILE A 49 10.888 -0.975 -4.491 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.701 1.116 -2.899 1.00 0.00 C ATOM 0 H ILE A 49 9.568 1.005 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 49 10.419 1.651 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 49 10.033 -1.039 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.746 0.029 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.586 -0.976 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.443 -1.904 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.937 -1.185 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.468 -0.287 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.625 1.232 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 49 12.936 0.985 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 49 12.084 2.005 -2.772 1.00 0.00 H new ATOM 680 N TYR A 50 8.423 0.941 -5.248 1.00 0.00 N ATOM 681 CA TYR A 50 7.196 0.704 -5.999 1.00 0.00 C ATOM 682 C TYR A 50 7.472 -0.141 -7.239 1.00 0.00 C ATOM 683 O TYR A 50 8.600 -0.575 -7.471 1.00 0.00 O ATOM 684 CB TYR A 50 6.557 2.033 -6.406 1.00 0.00 C ATOM 685 CG TYR A 50 6.263 2.946 -5.237 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.281 3.655 -4.610 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.967 3.101 -4.760 1.00 0.00 C ATOM 688 CE1 TYR A 50 7.016 4.490 -3.542 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.693 3.934 -3.693 1.00 0.00 C ATOM 690 CZ TYR A 50 5.721 4.626 -3.086 1.00 0.00 C ATOM 691 OH TYR A 50 5.454 5.457 -2.023 1.00 0.00 O ATOM 0 H TYR A 50 9.190 1.321 -5.802 1.00 0.00 H new ATOM 0 HA TYR A 50 6.506 0.159 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.221 2.548 -7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.629 1.832 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.296 3.551 -4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.160 2.561 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.819 5.034 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.680 4.043 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 50 4.494 5.441 -1.828 1.00 0.00 H new ATOM 701 N VAL A 51 6.431 -0.370 -8.034 1.00 0.00 N ATOM 702 CA VAL A 51 6.559 -1.161 -9.253 1.00 0.00 C ATOM 703 C VAL A 51 6.198 -0.337 -10.483 1.00 0.00 C ATOM 704 O VAL A 51 5.022 -0.111 -10.768 1.00 0.00 O ATOM 705 CB VAL A 51 5.664 -2.413 -9.205 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.815 -3.227 -10.481 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.993 -3.257 -7.983 1.00 0.00 C ATOM 0 H VAL A 51 5.490 -0.019 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 51 7.602 -1.472 -9.322 1.00 0.00 H new ATOM 0 HB VAL A 51 4.625 -2.092 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.175 -4.108 -10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.525 -2.618 -11.337 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.853 -3.539 -10.593 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.351 -4.138 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.036 -3.570 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.828 -2.669 -7.080 1.00 0.00 H new ATOM 717 N SER A 52 7.217 0.109 -11.210 1.00 0.00 N ATOM 718 CA SER A 52 7.007 0.911 -12.410 1.00 0.00 C ATOM 719 C SER A 52 6.439 0.059 -13.541 1.00 0.00 C ATOM 720 O SER A 52 5.314 0.276 -13.991 1.00 0.00 O ATOM 721 CB SER A 52 8.321 1.557 -12.853 1.00 0.00 C ATOM 722 OG SER A 52 8.193 2.145 -14.137 1.00 0.00 O ATOM 0 H SER A 52 8.196 -0.071 -10.989 1.00 0.00 H new ATOM 0 HA SER A 52 6.287 1.694 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.619 2.316 -12.130 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.111 0.806 -12.870 1.00 0.00 H new ATOM 0 HG SER A 52 9.046 2.553 -14.397 1.00 0.00 H new ATOM 728 N ARG A 53 7.226 -0.911 -13.995 1.00 0.00 N ATOM 729 CA ARG A 53 6.803 -1.796 -15.074 1.00 0.00 C ATOM 730 C ARG A 53 6.883 -3.257 -14.641 1.00 0.00 C ATOM 731 O ARG A 53 7.576 -3.593 -13.681 1.00 0.00 O ATOM 732 CB ARG A 53 7.670 -1.572 -16.314 1.00 0.00 C ATOM 733 CG ARG A 53 7.069 -2.144 -17.588 1.00 0.00 C ATOM 734 CD ARG A 53 7.456 -1.320 -18.806 1.00 0.00 C ATOM 735 NE ARG A 53 7.532 -2.133 -20.016 1.00 0.00 N ATOM 736 CZ ARG A 53 7.494 -1.629 -21.244 1.00 0.00 C ATOM 737 NH1 ARG A 53 7.381 -0.320 -21.424 1.00 0.00 N ATOM 738 NH2 ARG A 53 7.569 -2.435 -22.296 1.00 0.00 N ATOM 0 H ARG A 53 8.160 -1.104 -13.633 1.00 0.00 H new ATOM 0 HA ARG A 53 5.766 -1.563 -15.317 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.831 -0.502 -16.446 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.648 -2.023 -16.149 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.406 -3.172 -17.721 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.983 -2.174 -17.498 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.727 -0.523 -18.950 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.420 -0.843 -18.629 1.00 0.00 H new ATOM 0 HE ARG A 53 7.619 -3.144 -19.913 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.323 0.302 -20.618 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.352 0.064 -22.368 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.656 -3.442 -22.162 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.540 -2.047 -23.239 1.00 0.00 H new ATOM 752 N ILE A 54 6.169 -4.120 -15.356 1.00 0.00 N ATOM 753 CA ILE A 54 6.160 -5.545 -15.046 1.00 0.00 C ATOM 754 C ILE A 54 6.418 -6.380 -16.296 1.00 0.00 C ATOM 755 O ILE A 54 5.633 -6.357 -17.245 1.00 0.00 O ATOM 756 CB ILE A 54 4.821 -5.976 -14.421 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.614 -5.279 -13.075 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.777 -7.487 -14.253 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.324 -5.665 -12.386 1.00 0.00 C ATOM 0 H ILE A 54 5.590 -3.858 -16.153 1.00 0.00 H new ATOM 0 HA ILE A 54 6.959 -5.717 -14.325 1.00 0.00 H new ATOM 0 HB ILE A 54 4.013 -5.681 -15.090 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.452 -5.517 -12.419 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.626 -4.200 -13.228 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.824 -7.776 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.884 -7.965 -15.227 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.591 -7.805 -13.602 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.244 -5.133 -11.438 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.479 -5.402 -13.022 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.318 -6.739 -12.201 1.00 0.00 H new ATOM 771 N LYS A 55 7.521 -7.121 -16.289 1.00 0.00 N ATOM 772 CA LYS A 55 7.882 -7.968 -17.419 1.00 0.00 C ATOM 773 C LYS A 55 6.694 -8.815 -17.865 1.00 0.00 C ATOM 774 O LYS A 55 6.328 -9.783 -17.201 1.00 0.00 O ATOM 775 CB LYS A 55 9.058 -8.874 -17.049 1.00 0.00 C ATOM 776 CG LYS A 55 10.413 -8.206 -17.204 1.00 0.00 C ATOM 777 CD LYS A 55 11.504 -9.220 -17.505 1.00 0.00 C ATOM 778 CE LYS A 55 11.480 -9.647 -18.964 1.00 0.00 C ATOM 779 NZ LYS A 55 12.256 -8.715 -19.828 1.00 0.00 N ATOM 0 H LYS A 55 8.181 -7.152 -15.512 1.00 0.00 H new ATOM 0 HA LYS A 55 8.176 -7.322 -18.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.941 -9.204 -16.017 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.029 -9.767 -17.674 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.367 -7.470 -18.007 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.660 -7.665 -16.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.477 -8.791 -17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.376 -10.094 -16.867 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.890 -10.653 -19.055 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.448 -9.691 -19.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.215 -9.041 -20.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.849 -7.760 -19.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.247 -8.692 -19.512 1.00 0.00 H new ATOM 793 N GLU A 56 6.099 -8.443 -18.995 1.00 0.00 N ATOM 794 CA GLU A 56 4.953 -9.171 -19.528 1.00 0.00 C ATOM 795 C GLU A 56 5.205 -10.676 -19.505 1.00 0.00 C ATOM 796 O GLU A 56 4.283 -11.467 -19.313 1.00 0.00 O ATOM 797 CB GLU A 56 4.653 -8.715 -20.958 1.00 0.00 C ATOM 798 CG GLU A 56 5.821 -8.895 -21.912 1.00 0.00 C ATOM 799 CD GLU A 56 6.940 -7.903 -21.659 1.00 0.00 C ATOM 800 OE1 GLU A 56 6.862 -6.774 -22.187 1.00 0.00 O ATOM 801 OE2 GLU A 56 7.892 -8.256 -20.933 1.00 0.00 O ATOM 0 H GLU A 56 6.391 -7.644 -19.558 1.00 0.00 H new ATOM 0 HA GLU A 56 4.092 -8.955 -18.896 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.797 -9.273 -21.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.366 -7.663 -20.942 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.211 -9.908 -21.816 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.468 -8.785 -22.937 1.00 0.00 H new ATOM 808 N ASN A 57 6.462 -11.062 -19.702 1.00 0.00 N ATOM 809 CA ASN A 57 6.836 -12.472 -19.704 1.00 0.00 C ATOM 810 C ASN A 57 7.743 -12.796 -18.522 1.00 0.00 C ATOM 811 O ASN A 57 8.832 -13.342 -18.693 1.00 0.00 O ATOM 812 CB ASN A 57 7.539 -12.832 -21.015 1.00 0.00 C ATOM 813 CG ASN A 57 6.789 -12.324 -22.231 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.662 -12.742 -22.499 1.00 0.00 O ATOM 815 ND2 ASN A 57 7.413 -11.419 -22.975 1.00 0.00 N ATOM 0 H ASN A 57 7.238 -10.419 -19.862 1.00 0.00 H new ATOM 0 HA ASN A 57 5.925 -13.064 -19.613 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.546 -12.414 -21.011 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.644 -13.915 -21.082 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.959 -11.041 -23.807 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.347 -11.101 -22.715 1.00 0.00 H new ATOM 822 N GLY A 58 7.286 -12.456 -17.321 1.00 0.00 N ATOM 823 CA GLY A 58 8.068 -12.719 -16.127 1.00 0.00 C ATOM 824 C GLY A 58 7.264 -13.419 -15.049 1.00 0.00 C ATOM 825 O GLY A 58 6.177 -13.933 -15.312 1.00 0.00 O ATOM 0 H GLY A 58 6.388 -12.003 -17.153 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.930 -13.333 -16.389 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.454 -11.778 -15.735 1.00 0.00 H new ATOM 829 N ALA A 59 7.800 -13.441 -13.833 1.00 0.00 N ATOM 830 CA ALA A 59 7.125 -14.083 -12.712 1.00 0.00 C ATOM 831 C ALA A 59 5.978 -13.222 -12.196 1.00 0.00 C ATOM 832 O ALA A 59 4.888 -13.723 -11.919 1.00 0.00 O ATOM 833 CB ALA A 59 8.116 -14.371 -11.595 1.00 0.00 C ATOM 0 H ALA A 59 8.700 -13.021 -13.599 1.00 0.00 H new ATOM 0 HA ALA A 59 6.706 -15.026 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.598 -14.850 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.899 -15.033 -11.965 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.562 -13.437 -11.254 1.00 0.00 H new ATOM 839 N ALA A 60 6.230 -11.923 -12.068 1.00 0.00 N ATOM 840 CA ALA A 60 5.218 -10.992 -11.585 1.00 0.00 C ATOM 841 C ALA A 60 3.979 -11.020 -12.474 1.00 0.00 C ATOM 842 O ALA A 60 2.853 -11.100 -11.983 1.00 0.00 O ATOM 843 CB ALA A 60 5.788 -9.583 -11.515 1.00 0.00 C ATOM 0 H ALA A 60 7.127 -11.492 -12.292 1.00 0.00 H new ATOM 0 HA ALA A 60 4.922 -11.302 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.021 -8.898 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.639 -9.568 -10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.112 -9.272 -12.508 1.00 0.00 H new ATOM 849 N ALA A 61 4.194 -10.952 -13.784 1.00 0.00 N ATOM 850 CA ALA A 61 3.094 -10.971 -14.740 1.00 0.00 C ATOM 851 C ALA A 61 2.307 -12.274 -14.646 1.00 0.00 C ATOM 852 O ALA A 61 1.150 -12.282 -14.225 1.00 0.00 O ATOM 853 CB ALA A 61 3.621 -10.771 -16.154 1.00 0.00 C ATOM 0 H ALA A 61 5.120 -10.883 -14.207 1.00 0.00 H new ATOM 0 HA ALA A 61 2.419 -10.151 -14.496 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.789 -10.787 -16.858 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.133 -9.811 -16.219 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.319 -11.572 -16.399 1.00 0.00 H new ATOM 859 N LEU A 62 2.941 -13.372 -15.041 1.00 0.00 N ATOM 860 CA LEU A 62 2.299 -14.682 -15.002 1.00 0.00 C ATOM 861 C LEU A 62 1.460 -14.839 -13.738 1.00 0.00 C ATOM 862 O LEU A 62 0.256 -15.087 -13.806 1.00 0.00 O ATOM 863 CB LEU A 62 3.351 -15.790 -15.072 1.00 0.00 C ATOM 864 CG LEU A 62 4.163 -15.864 -16.365 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.352 -16.798 -16.197 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.285 -16.319 -17.521 1.00 0.00 C ATOM 0 H LEU A 62 3.899 -13.382 -15.392 1.00 0.00 H new ATOM 0 HA LEU A 62 1.639 -14.762 -15.866 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.042 -15.660 -14.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.851 -16.748 -14.925 1.00 0.00 H new ATOM 0 HG LEU A 62 4.540 -14.867 -16.592 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.918 -16.838 -17.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.994 -16.429 -15.397 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.997 -17.797 -15.945 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.880 -16.366 -18.433 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.878 -17.306 -17.302 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.467 -15.611 -17.657 1.00 0.00 H new ATOM 878 N ASP A 63 2.104 -14.693 -12.585 1.00 0.00 N ATOM 879 CA ASP A 63 1.418 -14.815 -11.305 1.00 0.00 C ATOM 880 C ASP A 63 0.222 -13.871 -11.236 1.00 0.00 C ATOM 881 O ASP A 63 -0.869 -14.263 -10.825 1.00 0.00 O ATOM 882 CB ASP A 63 2.382 -14.521 -10.154 1.00 0.00 C ATOM 883 CG ASP A 63 3.227 -15.725 -9.785 1.00 0.00 C ATOM 884 OD1 ASP A 63 3.621 -16.477 -10.700 1.00 0.00 O ATOM 885 OD2 ASP A 63 3.494 -15.914 -8.580 1.00 0.00 O ATOM 0 H ASP A 63 3.101 -14.490 -12.511 1.00 0.00 H new ATOM 0 HA ASP A 63 1.056 -15.839 -11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.035 -13.694 -10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.814 -14.198 -9.282 1.00 0.00 H new ATOM 890 N GLY A 64 0.435 -12.623 -11.643 1.00 0.00 N ATOM 891 CA GLY A 64 -0.634 -11.642 -11.619 1.00 0.00 C ATOM 892 C GLY A 64 -0.821 -11.022 -10.248 1.00 0.00 C ATOM 893 O GLY A 64 -1.281 -9.886 -10.131 1.00 0.00 O ATOM 0 H GLY A 64 1.329 -12.274 -11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.419 -10.856 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.565 -12.116 -11.930 1.00 0.00 H new ATOM 897 N ARG A 65 -0.465 -11.770 -9.209 1.00 0.00 N ATOM 898 CA ARG A 65 -0.599 -11.288 -7.839 1.00 0.00 C ATOM 899 C ARG A 65 -0.087 -9.856 -7.714 1.00 0.00 C ATOM 900 O ARG A 65 -0.713 -9.016 -7.066 1.00 0.00 O ATOM 901 CB ARG A 65 0.165 -12.200 -6.878 1.00 0.00 C ATOM 902 CG ARG A 65 -0.674 -13.339 -6.323 1.00 0.00 C ATOM 903 CD ARG A 65 -1.351 -12.949 -5.019 1.00 0.00 C ATOM 904 NE ARG A 65 -1.924 -11.607 -5.079 1.00 0.00 N ATOM 905 CZ ARG A 65 -2.936 -11.205 -4.318 1.00 0.00 C ATOM 906 NH1 ARG A 65 -3.483 -12.037 -3.444 1.00 0.00 N ATOM 907 NH2 ARG A 65 -3.402 -9.968 -4.432 1.00 0.00 N ATOM 0 H ARG A 65 -0.082 -12.712 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.657 -11.301 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.030 -12.616 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.546 -11.603 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.429 -13.626 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.042 -14.212 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.137 -13.669 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.627 -12.998 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.525 -10.942 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.127 -12.989 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.260 -11.726 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.983 -9.325 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.179 -9.660 -3.847 1.00 0.00 H new ATOM 921 N LEU A 66 1.053 -9.585 -8.339 1.00 0.00 N ATOM 922 CA LEU A 66 1.651 -8.254 -8.298 1.00 0.00 C ATOM 923 C LEU A 66 1.188 -7.413 -9.483 1.00 0.00 C ATOM 924 O LEU A 66 0.928 -7.939 -10.565 1.00 0.00 O ATOM 925 CB LEU A 66 3.177 -8.358 -8.296 1.00 0.00 C ATOM 926 CG LEU A 66 3.934 -7.110 -7.841 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.923 -7.002 -6.324 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.363 -7.133 -8.365 1.00 0.00 C ATOM 0 H LEU A 66 1.582 -10.269 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 66 1.326 -7.765 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.464 -9.188 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.505 -8.610 -9.304 1.00 0.00 H new ATOM 0 HG LEU A 66 3.431 -6.234 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.467 -6.108 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.894 -6.939 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.401 -7.882 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.887 -6.237 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.876 -8.016 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.351 -7.162 -9.455 1.00 0.00 H new ATOM 940 N GLN A 67 1.091 -6.104 -9.271 1.00 0.00 N ATOM 941 CA GLN A 67 0.662 -5.191 -10.323 1.00 0.00 C ATOM 942 C GLN A 67 1.345 -3.835 -10.179 1.00 0.00 C ATOM 943 O GLN A 67 1.737 -3.441 -9.081 1.00 0.00 O ATOM 944 CB GLN A 67 -0.857 -5.016 -10.288 1.00 0.00 C ATOM 945 CG GLN A 67 -1.387 -4.574 -8.933 1.00 0.00 C ATOM 946 CD GLN A 67 -2.898 -4.444 -8.912 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.572 -5.049 -8.078 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.437 -3.652 -9.831 1.00 0.00 N ATOM 0 H GLN A 67 1.304 -5.653 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 67 0.949 -5.622 -11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.147 -4.282 -11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.330 -5.959 -10.564 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.077 -5.292 -8.174 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.940 -3.616 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.840 -3.170 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.449 -3.525 -9.865 1.00 0.00 H new ATOM 957 N GLU A 68 1.484 -3.126 -11.295 1.00 0.00 N ATOM 958 CA GLU A 68 2.121 -1.814 -11.291 1.00 0.00 C ATOM 959 C GLU A 68 1.431 -0.876 -10.306 1.00 0.00 C ATOM 960 O GLU A 68 0.210 -0.904 -10.157 1.00 0.00 O ATOM 961 CB GLU A 68 2.095 -1.206 -12.695 1.00 0.00 C ATOM 962 CG GLU A 68 2.967 -1.946 -13.696 1.00 0.00 C ATOM 963 CD GLU A 68 2.463 -1.812 -15.120 1.00 0.00 C ATOM 964 OE1 GLU A 68 2.534 -0.695 -15.672 1.00 0.00 O ATOM 965 OE2 GLU A 68 1.997 -2.826 -15.681 1.00 0.00 O ATOM 0 H GLU A 68 1.165 -3.438 -12.212 1.00 0.00 H new ATOM 0 HA GLU A 68 3.157 -1.943 -10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.067 -1.196 -13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.423 -0.168 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.986 -1.563 -13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.007 -3.001 -13.427 1.00 0.00 H new ATOM 972 N GLY A 69 2.223 -0.046 -9.633 1.00 0.00 N ATOM 973 CA GLY A 69 1.671 0.888 -8.669 1.00 0.00 C ATOM 974 C GLY A 69 1.759 0.373 -7.246 1.00 0.00 C ATOM 975 O GLY A 69 1.482 1.105 -6.296 1.00 0.00 O ATOM 0 H GLY A 69 3.237 -0.004 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.202 1.837 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.628 1.087 -8.916 1.00 0.00 H new ATOM 979 N ASP A 70 2.145 -0.889 -7.099 1.00 0.00 N ATOM 980 CA ASP A 70 2.269 -1.502 -5.781 1.00 0.00 C ATOM 981 C ASP A 70 3.488 -0.960 -5.042 1.00 0.00 C ATOM 982 O ASP A 70 4.570 -0.832 -5.616 1.00 0.00 O ATOM 983 CB ASP A 70 2.369 -3.023 -5.910 1.00 0.00 C ATOM 984 CG ASP A 70 1.070 -3.652 -6.373 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.117 -2.899 -6.664 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.006 -4.897 -6.445 1.00 0.00 O ATOM 0 H ASP A 70 2.378 -1.508 -7.876 1.00 0.00 H new ATOM 0 HA ASP A 70 1.378 -1.252 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.162 -3.273 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.652 -3.448 -4.947 1.00 0.00 H new ATOM 991 N LYS A 71 3.306 -0.641 -3.765 1.00 0.00 N ATOM 992 CA LYS A 71 4.390 -0.112 -2.946 1.00 0.00 C ATOM 993 C LYS A 71 4.918 -1.176 -1.989 1.00 0.00 C ATOM 994 O LYS A 71 4.297 -1.467 -0.966 1.00 0.00 O ATOM 995 CB LYS A 71 3.912 1.108 -2.155 1.00 0.00 C ATOM 996 CG LYS A 71 5.018 1.803 -1.381 1.00 0.00 C ATOM 997 CD LYS A 71 5.183 1.211 0.009 1.00 0.00 C ATOM 998 CE LYS A 71 5.791 2.217 0.974 1.00 0.00 C ATOM 999 NZ LYS A 71 4.849 3.328 1.284 1.00 0.00 N ATOM 0 H LYS A 71 2.417 -0.740 -3.275 1.00 0.00 H new ATOM 0 HA LYS A 71 5.200 0.188 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.458 1.821 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.133 0.797 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.957 1.716 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.794 2.867 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.213 0.885 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.818 0.326 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.072 1.710 1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.705 2.626 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.119 3.771 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.887 4.038 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.882 2.953 1.359 1.00 0.00 H new ATOM 1013 N ILE A 72 6.066 -1.753 -2.327 1.00 0.00 N ATOM 1014 CA ILE A 72 6.677 -2.783 -1.496 1.00 0.00 C ATOM 1015 C ILE A 72 7.224 -2.191 -0.201 1.00 0.00 C ATOM 1016 O ILE A 72 8.191 -1.429 -0.213 1.00 0.00 O ATOM 1017 CB ILE A 72 7.818 -3.503 -2.240 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.325 -4.025 -3.591 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.366 -4.642 -1.394 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.434 -4.235 -4.598 1.00 0.00 C ATOM 0 H ILE A 72 6.592 -1.525 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 72 5.895 -3.505 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 72 8.623 -2.790 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.801 -4.968 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.601 -3.321 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.171 -5.141 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.750 -4.245 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.570 -5.357 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.012 -4.606 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.944 -3.289 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.147 -4.962 -4.208 1.00 0.00 H new ATOM 1032 N LEU A 73 6.599 -2.549 0.915 1.00 0.00 N ATOM 1033 CA LEU A 73 7.023 -2.056 2.221 1.00 0.00 C ATOM 1034 C LEU A 73 8.273 -2.788 2.700 1.00 0.00 C ATOM 1035 O LEU A 73 9.297 -2.167 2.984 1.00 0.00 O ATOM 1036 CB LEU A 73 5.897 -2.223 3.242 1.00 0.00 C ATOM 1037 CG LEU A 73 4.498 -1.828 2.769 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.441 -2.673 3.464 1.00 0.00 C ATOM 1039 CD2 LEU A 73 4.248 -0.348 3.018 1.00 0.00 C ATOM 0 H LEU A 73 5.797 -3.179 0.942 1.00 0.00 H new ATOM 0 HA LEU A 73 7.260 -0.997 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.871 -3.266 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.142 -1.630 4.123 1.00 0.00 H new ATOM 0 HG LEU A 73 4.433 -2.011 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.452 -2.378 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.608 -3.725 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.505 -2.522 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.247 -0.085 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.333 -0.139 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.985 0.242 2.473 1.00 0.00 H new ATOM 1051 N SER A 74 8.181 -4.111 2.785 1.00 0.00 N ATOM 1052 CA SER A 74 9.303 -4.928 3.231 1.00 0.00 C ATOM 1053 C SER A 74 9.609 -6.030 2.221 1.00 0.00 C ATOM 1054 O SER A 74 8.883 -6.209 1.242 1.00 0.00 O ATOM 1055 CB SER A 74 9.002 -5.544 4.599 1.00 0.00 C ATOM 1056 OG SER A 74 9.221 -4.607 5.639 1.00 0.00 O ATOM 0 H SER A 74 7.341 -4.640 2.551 1.00 0.00 H new ATOM 0 HA SER A 74 10.178 -4.283 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.968 -5.888 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.633 -6.419 4.754 1.00 0.00 H new ATOM 0 HG SER A 74 9.756 -5.023 6.347 1.00 0.00 H new ATOM 1062 N VAL A 75 10.688 -6.766 2.465 1.00 0.00 N ATOM 1063 CA VAL A 75 11.091 -7.851 1.579 1.00 0.00 C ATOM 1064 C VAL A 75 11.696 -9.008 2.366 1.00 0.00 C ATOM 1065 O VAL A 75 12.744 -8.863 2.994 1.00 0.00 O ATOM 1066 CB VAL A 75 12.110 -7.370 0.529 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.596 -8.536 -0.318 1.00 0.00 C ATOM 1068 CG2 VAL A 75 11.501 -6.283 -0.345 1.00 0.00 C ATOM 0 H VAL A 75 11.300 -6.630 3.270 1.00 0.00 H new ATOM 0 HA VAL A 75 10.190 -8.194 1.070 1.00 0.00 H new ATOM 0 HB VAL A 75 12.970 -6.948 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.315 -8.176 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.073 -9.277 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.749 -8.991 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.235 -5.955 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.624 -6.677 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.208 -5.437 0.277 1.00 0.00 H new ATOM 1078 N ASN A 76 11.029 -10.156 2.327 1.00 0.00 N ATOM 1079 CA ASN A 76 11.501 -11.339 3.037 1.00 0.00 C ATOM 1080 C ASN A 76 11.798 -11.015 4.498 1.00 0.00 C ATOM 1081 O ASN A 76 12.816 -11.437 5.044 1.00 0.00 O ATOM 1082 CB ASN A 76 12.755 -11.898 2.362 1.00 0.00 C ATOM 1083 CG ASN A 76 12.459 -12.507 1.005 1.00 0.00 C ATOM 1084 OD1 ASN A 76 11.796 -13.539 0.906 1.00 0.00 O ATOM 1085 ND2 ASN A 76 12.950 -11.867 -0.050 1.00 0.00 N ATOM 0 H ASN A 76 10.160 -10.293 1.811 1.00 0.00 H new ATOM 0 HA ASN A 76 10.712 -12.091 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.489 -11.100 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.205 -12.654 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.783 -12.228 -0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.495 -11.014 0.079 1.00 0.00 H new ATOM 1092 N GLY A 77 10.900 -10.261 5.125 1.00 0.00 N ATOM 1093 CA GLY A 77 11.084 -9.892 6.517 1.00 0.00 C ATOM 1094 C GLY A 77 11.897 -8.624 6.678 1.00 0.00 C ATOM 1095 O GLY A 77 11.974 -8.064 7.771 1.00 0.00 O ATOM 0 H GLY A 77 10.049 -9.899 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.109 -9.757 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.580 -10.707 7.043 1.00 0.00 H new ATOM 1099 N GLN A 78 12.508 -8.171 5.588 1.00 0.00 N ATOM 1100 CA GLN A 78 13.322 -6.962 5.615 1.00 0.00 C ATOM 1101 C GLN A 78 12.459 -5.730 5.863 1.00 0.00 C ATOM 1102 O GLN A 78 11.261 -5.842 6.127 1.00 0.00 O ATOM 1103 CB GLN A 78 14.087 -6.807 4.299 1.00 0.00 C ATOM 1104 CG GLN A 78 15.001 -7.981 3.985 1.00 0.00 C ATOM 1105 CD GLN A 78 16.337 -7.886 4.694 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.495 -7.121 5.646 1.00 0.00 O ATOM 1107 NE2 GLN A 78 17.309 -8.664 4.233 1.00 0.00 N ATOM 0 H GLN A 78 12.455 -8.623 4.675 1.00 0.00 H new ATOM 0 HA GLN A 78 14.036 -7.054 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.372 -6.686 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.682 -5.895 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 78 14.506 -8.909 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.168 -8.029 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.135 -9.283 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.230 -8.642 4.670 1.00 0.00 H new ATOM 1116 N ASP A 79 13.074 -4.556 5.777 1.00 0.00 N ATOM 1117 CA ASP A 79 12.361 -3.301 5.991 1.00 0.00 C ATOM 1118 C ASP A 79 12.880 -2.214 5.056 1.00 0.00 C ATOM 1119 O ASP A 79 14.030 -1.785 5.164 1.00 0.00 O ATOM 1120 CB ASP A 79 12.504 -2.851 7.446 1.00 0.00 C ATOM 1121 CG ASP A 79 11.756 -3.753 8.407 1.00 0.00 C ATOM 1122 OD1 ASP A 79 10.573 -4.053 8.141 1.00 0.00 O ATOM 1123 OD2 ASP A 79 12.353 -4.159 9.427 1.00 0.00 O ATOM 0 H ASP A 79 14.065 -4.446 5.561 1.00 0.00 H new ATOM 0 HA ASP A 79 11.306 -3.469 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.560 -2.834 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.133 -1.831 7.546 1.00 0.00 H new ATOM 1128 N LEU A 80 12.028 -1.774 4.137 1.00 0.00 N ATOM 1129 CA LEU A 80 12.400 -0.737 3.181 1.00 0.00 C ATOM 1130 C LEU A 80 11.956 0.638 3.668 1.00 0.00 C ATOM 1131 O LEU A 80 10.794 1.016 3.520 1.00 0.00 O ATOM 1132 CB LEU A 80 11.782 -1.031 1.813 1.00 0.00 C ATOM 1133 CG LEU A 80 12.030 -2.431 1.250 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.007 -2.764 0.176 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.443 -2.539 0.696 1.00 0.00 C ATOM 0 H LEU A 80 11.074 -2.120 4.033 1.00 0.00 H new ATOM 0 HA LEU A 80 13.486 -0.735 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.705 -0.875 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.165 -0.301 1.099 1.00 0.00 H new ATOM 0 HG LEU A 80 11.922 -3.152 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.200 -3.764 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.005 -2.728 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.081 -2.039 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.603 -3.542 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.578 -1.808 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.162 -2.345 1.492 1.00 0.00 H new ATOM 1147 N LYS A 81 12.889 1.384 4.249 1.00 0.00 N ATOM 1148 CA LYS A 81 12.596 2.720 4.756 1.00 0.00 C ATOM 1149 C LYS A 81 13.854 3.582 4.777 1.00 0.00 C ATOM 1150 O LYS A 81 14.900 3.158 5.268 1.00 0.00 O ATOM 1151 CB LYS A 81 12.000 2.634 6.163 1.00 0.00 C ATOM 1152 CG LYS A 81 12.835 1.811 7.128 1.00 0.00 C ATOM 1153 CD LYS A 81 12.218 1.785 8.517 1.00 0.00 C ATOM 1154 CE LYS A 81 12.913 0.775 9.417 1.00 0.00 C ATOM 1155 NZ LYS A 81 12.802 1.145 10.855 1.00 0.00 N ATOM 0 H LYS A 81 13.856 1.086 4.381 1.00 0.00 H new ATOM 0 HA LYS A 81 11.870 3.184 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.886 3.642 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.001 2.202 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.929 0.792 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.842 2.225 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.283 2.777 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.159 1.538 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.476 -0.211 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.965 0.705 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.288 0.432 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.241 2.075 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.799 1.187 11.126 1.00 0.00 H new ATOM 1169 N ASN A 82 13.745 4.793 4.242 1.00 0.00 N ATOM 1170 CA ASN A 82 14.874 5.715 4.201 1.00 0.00 C ATOM 1171 C ASN A 82 16.106 5.040 3.607 1.00 0.00 C ATOM 1172 O ASN A 82 17.177 5.030 4.216 1.00 0.00 O ATOM 1173 CB ASN A 82 15.189 6.232 5.606 1.00 0.00 C ATOM 1174 CG ASN A 82 13.937 6.526 6.409 1.00 0.00 C ATOM 1175 OD1 ASN A 82 12.862 6.742 5.847 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.069 6.536 7.730 1.00 0.00 N ATOM 0 H ASN A 82 12.886 5.159 3.831 1.00 0.00 H new ATOM 0 HA ASN A 82 14.601 6.557 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.791 5.494 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.790 7.138 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.261 6.728 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.979 6.352 8.153 1.00 0.00 H new ATOM 1183 N LEU A 83 15.948 4.477 2.414 1.00 0.00 N ATOM 1184 CA LEU A 83 17.048 3.799 1.737 1.00 0.00 C ATOM 1185 C LEU A 83 17.253 4.362 0.334 1.00 0.00 C ATOM 1186 O LEU A 83 16.467 5.185 -0.137 1.00 0.00 O ATOM 1187 CB LEU A 83 16.777 2.296 1.660 1.00 0.00 C ATOM 1188 CG LEU A 83 15.379 1.889 1.194 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.094 2.445 -0.192 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.233 0.374 1.203 1.00 0.00 C ATOM 0 H LEU A 83 15.069 4.477 1.896 1.00 0.00 H new ATOM 0 HA LEU A 83 17.957 3.969 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.507 1.850 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.949 1.865 2.646 1.00 0.00 H new ATOM 0 HG LEU A 83 14.650 2.309 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.094 2.145 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.155 3.533 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.828 2.057 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.232 0.103 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.971 -0.067 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.392 -0.001 2.214 1.00 0.00 H new ATOM 1202 N LEU A 84 18.313 3.913 -0.329 1.00 0.00 N ATOM 1203 CA LEU A 84 18.620 4.370 -1.680 1.00 0.00 C ATOM 1204 C LEU A 84 18.205 3.330 -2.715 1.00 0.00 C ATOM 1205 O LEU A 84 18.031 2.154 -2.394 1.00 0.00 O ATOM 1206 CB LEU A 84 20.115 4.668 -1.811 1.00 0.00 C ATOM 1207 CG LEU A 84 20.722 5.552 -0.721 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.211 5.280 -0.580 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.473 7.022 -1.027 1.00 0.00 C ATOM 0 H LEU A 84 18.974 3.233 0.047 1.00 0.00 H new ATOM 0 HA LEU A 84 18.055 5.284 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.654 3.721 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.287 5.146 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 84 20.239 5.311 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.625 5.918 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.366 4.234 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.711 5.492 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.912 7.637 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.929 7.277 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.400 7.207 -1.076 1.00 0.00 H new ATOM 1221 N HIS A 85 18.049 3.770 -3.960 1.00 0.00 N ATOM 1222 CA HIS A 85 17.656 2.877 -5.043 1.00 0.00 C ATOM 1223 C HIS A 85 18.532 1.628 -5.062 1.00 0.00 C ATOM 1224 O HIS A 85 18.033 0.511 -5.192 1.00 0.00 O ATOM 1225 CB HIS A 85 17.749 3.599 -6.388 1.00 0.00 C ATOM 1226 CG HIS A 85 17.272 2.776 -7.544 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.981 2.304 -7.651 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.923 2.341 -8.649 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.858 1.614 -8.771 1.00 0.00 C ATOM 1230 NE2 HIS A 85 17.022 1.622 -9.395 1.00 0.00 N ATOM 0 H HIS A 85 18.189 4.740 -4.243 1.00 0.00 H new ATOM 0 HA HIS A 85 16.623 2.573 -4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.163 4.517 -6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.784 3.891 -6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.958 2.525 -8.897 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.959 1.126 -9.117 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.220 1.168 -10.287 1.00 0.00 H new ATOM 1238 N GLN A 86 19.840 1.826 -4.931 1.00 0.00 N ATOM 1239 CA GLN A 86 20.785 0.716 -4.935 1.00 0.00 C ATOM 1240 C GLN A 86 20.499 -0.246 -3.786 1.00 0.00 C ATOM 1241 O GLN A 86 20.437 -1.460 -3.980 1.00 0.00 O ATOM 1242 CB GLN A 86 22.219 1.238 -4.834 1.00 0.00 C ATOM 1243 CG GLN A 86 23.264 0.137 -4.762 1.00 0.00 C ATOM 1244 CD GLN A 86 23.330 -0.689 -6.031 1.00 0.00 C ATOM 1245 OE1 GLN A 86 23.981 -0.304 -7.003 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.655 -1.832 -6.030 1.00 0.00 N ATOM 0 H GLN A 86 20.269 2.745 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 86 20.668 0.176 -5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.428 1.870 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.306 1.868 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.241 0.581 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 86 23.040 -0.517 -3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 86 22.129 -2.113 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.663 -2.430 -6.857 1.00 0.00 H new ATOM 1255 N ASP A 87 20.327 0.305 -2.590 1.00 0.00 N ATOM 1256 CA ASP A 87 20.047 -0.503 -1.409 1.00 0.00 C ATOM 1257 C ASP A 87 18.872 -1.444 -1.660 1.00 0.00 C ATOM 1258 O ASP A 87 18.931 -2.628 -1.330 1.00 0.00 O ATOM 1259 CB ASP A 87 19.749 0.395 -0.208 1.00 0.00 C ATOM 1260 CG ASP A 87 20.999 0.755 0.571 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.964 1.249 -0.050 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.013 0.543 1.801 1.00 0.00 O ATOM 0 H ASP A 87 20.377 1.308 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 87 20.931 -1.103 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.264 1.308 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.045 -0.110 0.454 1.00 0.00 H new ATOM 1267 N ALA A 88 17.806 -0.907 -2.244 1.00 0.00 N ATOM 1268 CA ALA A 88 16.618 -1.698 -2.540 1.00 0.00 C ATOM 1269 C ALA A 88 16.932 -2.809 -3.537 1.00 0.00 C ATOM 1270 O ALA A 88 16.692 -3.986 -3.266 1.00 0.00 O ATOM 1271 CB ALA A 88 15.509 -0.805 -3.075 1.00 0.00 C ATOM 0 H ALA A 88 17.741 0.072 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 88 16.281 -2.162 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.628 -1.409 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.257 -0.051 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.846 -0.314 -3.988 1.00 0.00 H new ATOM 1277 N VAL A 89 17.470 -2.427 -4.691 1.00 0.00 N ATOM 1278 CA VAL A 89 17.817 -3.391 -5.728 1.00 0.00 C ATOM 1279 C VAL A 89 18.639 -4.541 -5.157 1.00 0.00 C ATOM 1280 O VAL A 89 18.366 -5.710 -5.431 1.00 0.00 O ATOM 1281 CB VAL A 89 18.610 -2.726 -6.870 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.986 -3.753 -7.927 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.807 -1.588 -7.482 1.00 0.00 C ATOM 0 H VAL A 89 17.675 -1.457 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 89 16.879 -3.780 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 89 19.530 -2.311 -6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.545 -3.265 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.602 -4.531 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 89 18.081 -4.200 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.381 -1.129 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.870 -1.977 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.593 -0.841 -6.717 1.00 0.00 H new ATOM 1293 N ASP A 90 19.647 -4.202 -4.360 1.00 0.00 N ATOM 1294 CA ASP A 90 20.509 -5.206 -3.748 1.00 0.00 C ATOM 1295 C ASP A 90 19.694 -6.173 -2.894 1.00 0.00 C ATOM 1296 O ASP A 90 19.718 -7.385 -3.115 1.00 0.00 O ATOM 1297 CB ASP A 90 21.584 -4.534 -2.893 1.00 0.00 C ATOM 1298 CG ASP A 90 22.870 -5.335 -2.845 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.336 -5.776 -3.917 1.00 0.00 O ATOM 1300 OD2 ASP A 90 23.412 -5.521 -1.736 1.00 0.00 O ATOM 0 H ASP A 90 19.887 -3.239 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 90 20.991 -5.770 -4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.793 -3.541 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 90 21.206 -4.398 -1.880 1.00 0.00 H new ATOM 1305 N LEU A 91 18.976 -5.631 -1.917 1.00 0.00 N ATOM 1306 CA LEU A 91 18.154 -6.445 -1.028 1.00 0.00 C ATOM 1307 C LEU A 91 17.419 -7.531 -1.808 1.00 0.00 C ATOM 1308 O LEU A 91 17.345 -8.680 -1.374 1.00 0.00 O ATOM 1309 CB LEU A 91 17.148 -5.566 -0.283 1.00 0.00 C ATOM 1310 CG LEU A 91 16.372 -6.244 0.847 1.00 0.00 C ATOM 1311 CD1 LEU A 91 17.267 -6.452 2.058 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.147 -5.422 1.220 1.00 0.00 C ATOM 0 H LEU A 91 18.946 -4.631 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 91 18.812 -6.926 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.681 -4.710 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.431 -5.176 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 91 16.036 -7.220 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.698 -6.936 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 91 18.112 -7.082 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.633 -5.487 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.607 -5.919 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.460 -4.432 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.495 -5.325 0.352 1.00 0.00 H new ATOM 1324 N PHE A 92 16.879 -7.158 -2.964 1.00 0.00 N ATOM 1325 CA PHE A 92 16.151 -8.100 -3.806 1.00 0.00 C ATOM 1326 C PHE A 92 17.042 -9.273 -4.207 1.00 0.00 C ATOM 1327 O PHE A 92 16.589 -10.416 -4.272 1.00 0.00 O ATOM 1328 CB PHE A 92 15.623 -7.395 -5.058 1.00 0.00 C ATOM 1329 CG PHE A 92 14.397 -6.565 -4.806 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.338 -5.705 -3.721 1.00 0.00 C ATOM 1331 CD2 PHE A 92 13.304 -6.645 -5.653 1.00 0.00 C ATOM 1332 CE1 PHE A 92 13.211 -4.939 -3.486 1.00 0.00 C ATOM 1333 CE2 PHE A 92 12.175 -5.881 -5.424 1.00 0.00 C ATOM 1334 CZ PHE A 92 12.128 -5.028 -4.338 1.00 0.00 C ATOM 0 H PHE A 92 16.932 -6.211 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 92 15.309 -8.486 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.407 -6.756 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.396 -8.143 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.182 -5.632 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 92 13.334 -7.312 -6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.178 -4.272 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.330 -5.951 -6.093 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.246 -4.432 -4.156 1.00 0.00 H new ATOM 1344 N ARG A 93 18.310 -8.980 -4.475 1.00 0.00 N ATOM 1345 CA ARG A 93 19.264 -10.009 -4.871 1.00 0.00 C ATOM 1346 C ARG A 93 19.461 -11.028 -3.753 1.00 0.00 C ATOM 1347 O ARG A 93 19.625 -12.220 -4.007 1.00 0.00 O ATOM 1348 CB ARG A 93 20.606 -9.374 -5.240 1.00 0.00 C ATOM 1349 CG ARG A 93 20.560 -8.547 -6.514 1.00 0.00 C ATOM 1350 CD ARG A 93 21.956 -8.185 -6.994 1.00 0.00 C ATOM 1351 NE ARG A 93 22.730 -9.365 -7.368 1.00 0.00 N ATOM 1352 CZ ARG A 93 23.862 -9.313 -8.062 1.00 0.00 C ATOM 1353 NH1 ARG A 93 24.349 -8.144 -8.455 1.00 0.00 N ATOM 1354 NH2 ARG A 93 24.509 -10.432 -8.364 1.00 0.00 N ATOM 0 H ARG A 93 18.701 -8.039 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 93 18.862 -10.526 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.936 -8.740 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.351 -10.161 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.040 -9.105 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 93 19.987 -7.637 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 93 21.882 -7.514 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 93 22.480 -7.642 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 93 22.383 -10.280 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 93 23.855 -7.282 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 93 25.218 -8.107 -8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 93 24.137 -11.333 -8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.378 -10.391 -8.897 1.00 0.00 H new ATOM 1368 N ASN A 94 19.443 -10.548 -2.513 1.00 0.00 N ATOM 1369 CA ASN A 94 19.620 -11.417 -1.355 1.00 0.00 C ATOM 1370 C ASN A 94 18.422 -12.346 -1.183 1.00 0.00 C ATOM 1371 O ASN A 94 18.563 -13.478 -0.721 1.00 0.00 O ATOM 1372 CB ASN A 94 19.817 -10.581 -0.089 1.00 0.00 C ATOM 1373 CG ASN A 94 20.064 -11.438 1.137 1.00 0.00 C ATOM 1374 OD1 ASN A 94 21.009 -12.225 1.178 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.212 -11.288 2.145 1.00 0.00 N ATOM 0 H ASN A 94 19.308 -9.563 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 94 20.508 -12.026 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.659 -9.904 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.935 -9.962 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.328 -11.838 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.442 -10.623 2.068 1.00 0.00 H new ATOM 1382 N ALA A 95 17.244 -11.859 -1.560 1.00 0.00 N ATOM 1383 CA ALA A 95 16.022 -12.646 -1.450 1.00 0.00 C ATOM 1384 C ALA A 95 16.287 -14.116 -1.756 1.00 0.00 C ATOM 1385 O ALA A 95 16.291 -14.957 -0.858 1.00 0.00 O ATOM 1386 CB ALA A 95 14.954 -12.095 -2.382 1.00 0.00 C ATOM 0 H ALA A 95 17.110 -10.924 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 95 15.664 -12.574 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.047 -12.692 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.736 -11.061 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.312 -12.136 -3.411 1.00 0.00 H new ATOM 1392 N GLY A 96 16.507 -14.420 -3.032 1.00 0.00 N ATOM 1393 CA GLY A 96 16.768 -15.790 -3.434 1.00 0.00 C ATOM 1394 C GLY A 96 15.561 -16.446 -4.076 1.00 0.00 C ATOM 1395 O GLY A 96 14.667 -15.763 -4.575 1.00 0.00 O ATOM 0 H GLY A 96 16.509 -13.742 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.603 -15.807 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.072 -16.370 -2.562 1.00 0.00 H new ATOM 1399 N TYR A 97 15.537 -17.774 -4.064 1.00 0.00 N ATOM 1400 CA TYR A 97 14.433 -18.523 -4.653 1.00 0.00 C ATOM 1401 C TYR A 97 13.090 -17.926 -4.245 1.00 0.00 C ATOM 1402 O TYR A 97 12.348 -17.408 -5.079 1.00 0.00 O ATOM 1403 CB TYR A 97 14.501 -19.991 -4.229 1.00 0.00 C ATOM 1404 CG TYR A 97 13.527 -20.881 -4.969 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.440 -20.847 -6.355 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.694 -21.754 -4.281 1.00 0.00 C ATOM 1407 CE1 TYR A 97 12.552 -21.657 -7.035 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.803 -22.569 -4.953 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.736 -22.517 -6.329 1.00 0.00 C ATOM 1410 OH TYR A 97 10.849 -23.326 -7.002 1.00 0.00 O ATOM 0 H TYR A 97 16.269 -18.354 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 97 14.523 -18.460 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.513 -20.361 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.304 -20.061 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.078 -20.175 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.743 -21.797 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.497 -21.618 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.163 -23.243 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 97 10.351 -23.871 -6.358 1.00 0.00 H new ATOM 1420 N ALA A 98 12.784 -18.001 -2.954 1.00 0.00 N ATOM 1421 CA ALA A 98 11.533 -17.467 -2.432 1.00 0.00 C ATOM 1422 C ALA A 98 11.664 -15.983 -2.104 1.00 0.00 C ATOM 1423 O ALA A 98 12.418 -15.599 -1.210 1.00 0.00 O ATOM 1424 CB ALA A 98 11.099 -18.245 -1.199 1.00 0.00 C ATOM 0 H ALA A 98 13.387 -18.427 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 98 10.771 -17.577 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.163 -17.834 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.955 -19.293 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.867 -18.166 -0.430 1.00 0.00 H new ATOM 1430 N VAL A 99 10.926 -15.153 -2.834 1.00 0.00 N ATOM 1431 CA VAL A 99 10.960 -13.711 -2.621 1.00 0.00 C ATOM 1432 C VAL A 99 9.614 -13.198 -2.121 1.00 0.00 C ATOM 1433 O VAL A 99 8.605 -13.288 -2.820 1.00 0.00 O ATOM 1434 CB VAL A 99 11.335 -12.961 -3.913 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.425 -11.465 -3.654 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.644 -13.493 -4.476 1.00 0.00 C ATOM 0 H VAL A 99 10.297 -15.455 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 99 11.722 -13.521 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 99 10.552 -13.131 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.691 -10.951 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.462 -11.099 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.187 -11.272 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.894 -12.952 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.438 -13.354 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.539 -14.554 -4.701 1.00 0.00 H new ATOM 1446 N SER A 100 9.607 -12.658 -0.906 1.00 0.00 N ATOM 1447 CA SER A 100 8.384 -12.133 -0.310 1.00 0.00 C ATOM 1448 C SER A 100 8.288 -10.624 -0.509 1.00 0.00 C ATOM 1449 O SER A 100 9.241 -9.889 -0.249 1.00 0.00 O ATOM 1450 CB SER A 100 8.335 -12.466 1.183 1.00 0.00 C ATOM 1451 OG SER A 100 8.870 -11.408 1.959 1.00 0.00 O ATOM 0 H SER A 100 10.434 -12.573 -0.315 1.00 0.00 H new ATOM 0 HA SER A 100 7.536 -12.603 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.304 -12.656 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.896 -13.381 1.373 1.00 0.00 H new ATOM 0 HG SER A 100 8.549 -11.484 2.882 1.00 0.00 H new ATOM 1457 N LEU A 101 7.129 -10.168 -0.974 1.00 0.00 N ATOM 1458 CA LEU A 101 6.906 -8.746 -1.209 1.00 0.00 C ATOM 1459 C LEU A 101 5.602 -8.285 -0.565 1.00 0.00 C ATOM 1460 O LEU A 101 4.515 -8.649 -1.015 1.00 0.00 O ATOM 1461 CB LEU A 101 6.878 -8.455 -2.710 1.00 0.00 C ATOM 1462 CG LEU A 101 8.024 -9.048 -3.530 1.00 0.00 C ATOM 1463 CD1 LEU A 101 7.785 -8.831 -5.017 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.353 -8.439 -3.107 1.00 0.00 C ATOM 0 H LEU A 101 6.330 -10.762 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 101 7.729 -8.195 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.937 -8.828 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.879 -7.374 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 101 8.062 -10.121 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.611 -9.260 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.853 -9.315 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.719 -7.763 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.157 -8.873 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.326 -7.361 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.529 -8.647 -2.052 1.00 0.00 H new ATOM 1476 N ARG A 102 5.718 -7.483 0.487 1.00 0.00 N ATOM 1477 CA ARG A 102 4.548 -6.972 1.192 1.00 0.00 C ATOM 1478 C ARG A 102 4.190 -5.571 0.706 1.00 0.00 C ATOM 1479 O ARG A 102 4.797 -4.584 1.121 1.00 0.00 O ATOM 1480 CB ARG A 102 4.804 -6.951 2.700 1.00 0.00 C ATOM 1481 CG ARG A 102 3.533 -6.967 3.533 1.00 0.00 C ATOM 1482 CD ARG A 102 3.784 -6.455 4.943 1.00 0.00 C ATOM 1483 NE ARG A 102 2.559 -6.414 5.737 1.00 0.00 N ATOM 1484 CZ ARG A 102 1.944 -7.498 6.195 1.00 0.00 C ATOM 1485 NH1 ARG A 102 2.437 -8.702 5.940 1.00 0.00 N ATOM 1486 NH2 ARG A 102 0.833 -7.380 6.911 1.00 0.00 N ATOM 0 H ARG A 102 6.610 -7.172 0.871 1.00 0.00 H new ATOM 0 HA ARG A 102 3.709 -7.636 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.415 -7.813 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.381 -6.061 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.773 -6.352 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.139 -7.982 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.515 -7.096 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.218 -5.456 4.894 1.00 0.00 H new ATOM 0 HE ARG A 102 2.154 -5.503 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.291 -8.798 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.962 -9.533 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.450 -6.456 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.362 -8.214 7.262 1.00 0.00 H new ATOM 1500 N VAL A 103 3.200 -5.491 -0.177 1.00 0.00 N ATOM 1501 CA VAL A 103 2.760 -4.212 -0.720 1.00 0.00 C ATOM 1502 C VAL A 103 1.446 -3.769 -0.086 1.00 0.00 C ATOM 1503 O VAL A 103 0.782 -4.548 0.597 1.00 0.00 O ATOM 1504 CB VAL A 103 2.582 -4.281 -2.248 1.00 0.00 C ATOM 1505 CG1 VAL A 103 3.902 -4.619 -2.924 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.511 -5.297 -2.614 1.00 0.00 C ATOM 0 H VAL A 103 2.687 -6.298 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 103 3.537 -3.485 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 103 2.259 -3.303 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.757 -4.664 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.639 -3.851 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.257 -5.585 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.398 -5.333 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.802 -6.281 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.564 -5.006 -2.160 1.00 0.00 H new ATOM 1516 N GLN A 104 1.076 -2.513 -0.319 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.159 -1.967 0.230 1.00 0.00 C ATOM 1518 C GLN A 104 -1.106 -1.535 -0.885 1.00 0.00 C ATOM 1519 O GLN A 104 -0.736 -0.749 -1.758 1.00 0.00 O ATOM 1520 CB GLN A 104 0.146 -0.779 1.145 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.081 -0.224 1.849 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.757 0.962 2.737 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -1.108 2.100 2.425 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.084 0.701 3.852 1.00 0.00 N ATOM 0 H GLN A 104 1.614 -1.856 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.645 -2.750 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.877 -1.086 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.607 0.014 0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.818 0.075 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.537 -1.010 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.187 -0.257 4.072 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.162 1.459 4.489 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.329 -2.054 -0.850 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.329 -1.721 -1.858 1.00 0.00 C ATOM 1535 C HIS A 105 -4.177 -0.534 -1.412 1.00 0.00 C ATOM 1536 O HIS A 105 -5.142 -0.694 -0.664 1.00 0.00 O ATOM 1537 CB HIS A 105 -4.227 -2.928 -2.134 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.473 -4.151 -2.557 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.611 -4.169 -3.634 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.453 -5.402 -2.040 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -2.096 -5.379 -3.762 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.590 -6.146 -2.807 1.00 0.00 N ATOM 0 H HIS A 105 -2.651 -2.706 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.807 -1.448 -2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.800 -3.157 -1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.945 -2.666 -2.912 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -2.404 -3.373 -4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.012 -5.750 -1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.391 -5.688 -4.519 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.809 0.657 -1.874 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.534 1.871 -1.521 1.00 0.00 C ATOM 1552 C ARG A 106 -5.681 2.123 -2.495 1.00 0.00 C ATOM 1553 O ARG A 106 -5.470 2.613 -3.606 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.586 3.072 -1.511 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.441 2.936 -0.521 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.310 3.900 -0.842 1.00 0.00 C ATOM 1557 NE ARG A 106 -1.721 5.294 -0.700 1.00 0.00 N ATOM 1558 CZ ARG A 106 -0.869 6.312 -0.666 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.435 6.093 -0.764 1.00 0.00 N ATOM 1560 NH2 ARG A 106 -1.320 7.553 -0.535 1.00 0.00 N ATOM 0 H ARG A 106 -3.013 0.807 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.951 1.737 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.176 3.209 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.155 3.971 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.807 3.125 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.064 1.913 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.466 3.702 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.964 3.726 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.718 5.497 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.786 5.141 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.087 6.877 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.322 7.726 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.664 8.334 -0.509 1.00 0.00 H new