USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 9 GLN : amide:sc= -0.863 K(o=-0.86,f=-0.02) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc=0.000467 USER MOD Single : A 11 ASN : amide:sc= 0.49 K(o=0.49,f=-0.41) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= -0.264 (180deg=-0.299) USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 0.962 (180deg=-0.503!) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 1 (180deg=0.733) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 50 GLN : amide:sc=0.000592 X(o=0.00059,f=-0.28) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0542 (180deg=-0.362) USER MOD Single : A 54 SER OG : rot 180:sc= -1.14 USER MOD Single : A 58 GLN : amide:sc= -0.308 K(o=-0.31,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= 0.443 K(o=0.44,f=-0.069) USER MOD Single : A 61 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 66 SER OG : rot -4:sc= 0.286 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= 1.05 (180deg=1.04) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.365 12.964 -9.334 1.00 0.00 N ATOM 135 CA GLN A 9 0.719 11.732 -10.019 1.00 0.00 C ATOM 136 C GLN A 9 2.085 11.850 -10.673 1.00 0.00 C ATOM 137 O GLN A 9 2.225 12.441 -11.742 1.00 0.00 O ATOM 138 CB GLN A 9 -0.317 11.354 -11.081 1.00 0.00 C ATOM 139 CG GLN A 9 -1.571 10.697 -10.533 1.00 0.00 C ATOM 140 CD GLN A 9 -2.493 10.225 -11.640 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.375 10.958 -12.084 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.284 9.001 -12.101 1.00 0.00 N ATOM 0 HA GLN A 9 0.743 10.947 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.602 12.253 -11.628 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.148 10.678 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.293 9.849 -9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.102 11.404 -9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.541 8.426 -11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.866 8.633 -12.853 1.00 0.00 H new ATOM 151 N ASP A 10 3.087 11.308 -10.009 1.00 0.00 N ATOM 152 CA ASP A 10 4.412 11.177 -10.592 1.00 0.00 C ATOM 153 C ASP A 10 4.720 9.687 -10.688 1.00 0.00 C ATOM 154 O ASP A 10 3.821 8.866 -10.489 1.00 0.00 O ATOM 155 CB ASP A 10 5.457 11.915 -9.738 1.00 0.00 C ATOM 156 CG ASP A 10 6.777 12.123 -10.466 1.00 0.00 C ATOM 157 OD1 ASP A 10 6.892 13.094 -11.242 1.00 0.00 O ATOM 158 OD2 ASP A 10 7.705 11.313 -10.270 1.00 0.00 O ATOM 0 H ASP A 10 3.009 10.948 -9.058 1.00 0.00 H new ATOM 0 HA ASP A 10 4.445 11.629 -11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.056 12.884 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.637 11.349 -8.824 1.00 0.00 H new ATOM 163 N ASN A 11 5.953 9.321 -10.983 1.00 0.00 N ATOM 164 CA ASN A 11 6.298 7.914 -11.087 1.00 0.00 C ATOM 165 C ASN A 11 7.139 7.472 -9.895 1.00 0.00 C ATOM 166 O ASN A 11 8.250 7.953 -9.674 1.00 0.00 O ATOM 167 CB ASN A 11 6.992 7.597 -12.432 1.00 0.00 C ATOM 168 CG ASN A 11 8.060 8.599 -12.865 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.204 8.878 -14.056 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.832 9.125 -11.932 1.00 0.00 N ATOM 0 H ASN A 11 6.724 9.967 -11.153 1.00 0.00 H new ATOM 0 HA ASN A 11 5.372 7.339 -11.067 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.449 6.610 -12.363 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.231 7.542 -13.211 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.570 9.780 -12.190 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.690 8.876 -10.953 1.00 0.00 H new ATOM 177 N PHE A 12 6.587 6.563 -9.112 1.00 0.00 N ATOM 178 CA PHE A 12 7.269 6.067 -7.930 1.00 0.00 C ATOM 179 C PHE A 12 7.840 4.687 -8.203 1.00 0.00 C ATOM 180 O PHE A 12 7.202 3.867 -8.866 1.00 0.00 O ATOM 181 CB PHE A 12 6.312 6.010 -6.735 1.00 0.00 C ATOM 182 CG PHE A 12 5.598 7.305 -6.464 1.00 0.00 C ATOM 183 CD1 PHE A 12 6.297 8.498 -6.377 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.223 7.324 -6.296 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.638 9.687 -6.123 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.558 8.508 -6.041 1.00 0.00 C ATOM 187 CZ PHE A 12 4.266 9.693 -5.957 1.00 0.00 C ATOM 0 H PHE A 12 5.667 6.153 -9.273 1.00 0.00 H new ATOM 0 HA PHE A 12 8.082 6.751 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.573 5.229 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.873 5.723 -5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.369 8.499 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.664 6.402 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.195 10.610 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.486 8.508 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.748 10.621 -5.762 1.00 0.00 H new ATOM 197 N VAL A 13 9.038 4.434 -7.702 1.00 0.00 N ATOM 198 CA VAL A 13 9.682 3.151 -7.911 1.00 0.00 C ATOM 199 C VAL A 13 9.261 2.153 -6.833 1.00 0.00 C ATOM 200 O VAL A 13 9.567 2.311 -5.648 1.00 0.00 O ATOM 201 CB VAL A 13 11.225 3.283 -7.969 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.767 3.998 -6.740 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.884 1.921 -8.132 1.00 0.00 C ATOM 0 H VAL A 13 9.581 5.098 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 13 9.353 2.774 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 13 11.469 3.887 -8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.852 4.074 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.336 4.998 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.501 3.435 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.967 2.043 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.620 1.285 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.538 1.458 -9.056 1.00 0.00 H new ATOM 213 N VAL A 14 8.516 1.149 -7.260 1.00 0.00 N ATOM 214 CA VAL A 14 8.066 0.092 -6.377 1.00 0.00 C ATOM 215 C VAL A 14 8.893 -1.163 -6.609 1.00 0.00 C ATOM 216 O VAL A 14 9.079 -1.601 -7.748 1.00 0.00 O ATOM 217 CB VAL A 14 6.567 -0.215 -6.588 1.00 0.00 C ATOM 218 CG1 VAL A 14 6.122 -1.400 -5.742 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.731 1.012 -6.266 1.00 0.00 C ATOM 0 H VAL A 14 8.207 1.045 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 14 8.199 0.429 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 14 6.419 -0.479 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.063 -1.591 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.699 -2.282 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.285 -1.176 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.676 0.784 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.894 1.301 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.023 1.833 -6.921 1.00 0.00 H new ATOM 229 N LEU A 15 9.399 -1.725 -5.529 1.00 0.00 N ATOM 230 CA LEU A 15 10.218 -2.916 -5.600 1.00 0.00 C ATOM 231 C LEU A 15 9.341 -4.148 -5.442 1.00 0.00 C ATOM 232 O LEU A 15 8.916 -4.483 -4.332 1.00 0.00 O ATOM 233 CB LEU A 15 11.290 -2.886 -4.508 1.00 0.00 C ATOM 234 CG LEU A 15 12.130 -1.608 -4.449 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.111 -1.677 -3.293 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.871 -1.386 -5.756 1.00 0.00 C ATOM 0 H LEU A 15 9.255 -1.371 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 15 10.713 -2.952 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.805 -3.027 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.959 -3.734 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 15 11.458 -0.765 -4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.702 -0.762 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.563 -1.787 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.773 -2.532 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.461 -0.472 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.532 -2.231 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.153 -1.296 -6.571 1.00 0.00 H new ATOM 248 N GLU A 16 9.054 -4.800 -6.556 1.00 0.00 N ATOM 249 CA GLU A 16 8.207 -5.978 -6.559 1.00 0.00 C ATOM 250 C GLU A 16 9.070 -7.215 -6.797 1.00 0.00 C ATOM 251 O GLU A 16 10.203 -7.107 -7.275 1.00 0.00 O ATOM 252 CB GLU A 16 7.121 -5.821 -7.635 1.00 0.00 C ATOM 253 CG GLU A 16 5.856 -6.635 -7.389 1.00 0.00 C ATOM 254 CD GLU A 16 5.892 -8.002 -8.037 1.00 0.00 C ATOM 255 OE1 GLU A 16 5.759 -8.078 -9.276 1.00 0.00 O ATOM 256 OE2 GLU A 16 6.058 -9.008 -7.314 1.00 0.00 O ATOM 0 H GLU A 16 9.399 -4.529 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 16 7.709 -6.095 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.850 -4.768 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.540 -6.109 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.710 -6.753 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.996 -6.083 -7.769 1.00 0.00 H new ATOM 354 N PHE A 23 7.952 1.384 -11.938 1.00 0.00 N ATOM 355 CA PHE A 23 7.607 2.778 -11.726 1.00 0.00 C ATOM 356 C PHE A 23 6.202 3.056 -12.239 1.00 0.00 C ATOM 357 O PHE A 23 5.915 2.922 -13.430 1.00 0.00 O ATOM 358 CB PHE A 23 8.637 3.732 -12.351 1.00 0.00 C ATOM 359 CG PHE A 23 8.979 3.457 -13.790 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.924 2.497 -14.118 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.373 4.172 -14.810 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.253 2.252 -15.435 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.696 3.929 -16.129 1.00 0.00 C ATOM 364 CZ PHE A 23 9.638 2.969 -16.442 1.00 0.00 C ATOM 0 HA PHE A 23 7.626 2.967 -10.653 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.258 4.751 -12.273 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.553 3.687 -11.762 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.408 1.935 -13.333 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.640 4.928 -14.570 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.990 1.501 -15.678 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.213 4.489 -16.916 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.894 2.779 -17.474 1.00 0.00 H new ATOM 374 N LEU A 24 5.329 3.414 -11.320 1.00 0.00 N ATOM 375 CA LEU A 24 3.927 3.634 -11.630 1.00 0.00 C ATOM 376 C LEU A 24 3.442 4.914 -10.971 1.00 0.00 C ATOM 377 O LEU A 24 4.167 5.524 -10.183 1.00 0.00 O ATOM 378 CB LEU A 24 3.070 2.441 -11.172 1.00 0.00 C ATOM 379 CG LEU A 24 3.218 2.033 -9.697 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.021 1.216 -9.250 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.483 1.222 -9.483 1.00 0.00 C ATOM 0 H LEU A 24 5.568 3.561 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 24 3.825 3.730 -12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.023 2.678 -11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.319 1.581 -11.793 1.00 0.00 H new ATOM 0 HG LEU A 24 3.277 2.946 -9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.142 0.936 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.113 1.808 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.946 0.316 -9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.565 0.946 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.444 0.320 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.350 1.817 -9.770 1.00 0.00 H new ATOM 393 N THR A 25 2.222 5.314 -11.291 1.00 0.00 N ATOM 394 CA THR A 25 1.677 6.551 -10.769 1.00 0.00 C ATOM 395 C THR A 25 0.947 6.327 -9.448 1.00 0.00 C ATOM 396 O THR A 25 0.695 5.189 -9.046 1.00 0.00 O ATOM 397 CB THR A 25 0.719 7.209 -11.781 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.259 6.260 -12.225 1.00 0.00 O ATOM 399 CG2 THR A 25 1.484 7.757 -12.975 1.00 0.00 C ATOM 0 H THR A 25 1.594 4.800 -11.908 1.00 0.00 H new ATOM 0 HA THR A 25 2.520 7.219 -10.593 1.00 0.00 H new ATOM 0 HB THR A 25 0.216 8.037 -11.282 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.863 6.689 -12.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.786 8.216 -13.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.202 8.504 -12.636 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.014 6.944 -13.472 1.00 0.00 H new ATOM 407 N THR A 26 0.616 7.428 -8.787 1.00 0.00 N ATOM 408 CA THR A 26 -0.083 7.412 -7.506 1.00 0.00 C ATOM 409 C THR A 26 -1.346 6.543 -7.544 1.00 0.00 C ATOM 410 O THR A 26 -1.520 5.652 -6.713 1.00 0.00 O ATOM 411 CB THR A 26 -0.474 8.845 -7.129 1.00 0.00 C ATOM 412 OG1 THR A 26 0.623 9.721 -7.415 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.843 8.950 -5.661 1.00 0.00 C ATOM 0 H THR A 26 0.826 8.367 -9.127 1.00 0.00 H new ATOM 0 HA THR A 26 0.593 6.984 -6.766 1.00 0.00 H new ATOM 0 HB THR A 26 -1.347 9.131 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.378 10.640 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.115 9.979 -5.427 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.688 8.294 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.009 8.652 -5.050 1.00 0.00 H new ATOM 421 N ILE A 27 -2.208 6.806 -8.522 1.00 0.00 N ATOM 422 CA ILE A 27 -3.475 6.088 -8.659 1.00 0.00 C ATOM 423 C ILE A 27 -3.242 4.584 -8.824 1.00 0.00 C ATOM 424 O ILE A 27 -3.993 3.759 -8.289 1.00 0.00 O ATOM 425 CB ILE A 27 -4.284 6.636 -9.861 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.615 8.116 -9.644 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.559 5.837 -10.085 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.415 8.393 -8.386 1.00 0.00 C ATOM 0 H ILE A 27 -2.052 7.516 -9.237 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.048 6.247 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.667 6.535 -10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.685 8.683 -9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.174 8.482 -10.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.102 6.249 -10.936 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.306 4.796 -10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.185 5.893 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.608 9.463 -8.306 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.362 7.856 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.851 8.060 -7.515 1.00 0.00 H new ATOM 440 N GLU A 28 -2.188 4.241 -9.550 1.00 0.00 N ATOM 441 CA GLU A 28 -1.808 2.849 -9.748 1.00 0.00 C ATOM 442 C GLU A 28 -1.362 2.219 -8.432 1.00 0.00 C ATOM 443 O GLU A 28 -1.844 1.153 -8.046 1.00 0.00 O ATOM 444 CB GLU A 28 -0.681 2.757 -10.775 1.00 0.00 C ATOM 445 CG GLU A 28 -1.106 3.118 -12.185 1.00 0.00 C ATOM 446 CD GLU A 28 -1.987 2.062 -12.812 1.00 0.00 C ATOM 447 OE1 GLU A 28 -3.215 2.102 -12.605 1.00 0.00 O ATOM 448 OE2 GLU A 28 -1.453 1.192 -13.527 1.00 0.00 O ATOM 0 H GLU A 28 -1.577 4.912 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.677 2.304 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.131 3.418 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.283 1.742 -10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.639 4.068 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.220 3.261 -12.803 1.00 0.00 H new ATOM 455 N LEU A 29 -0.449 2.896 -7.743 1.00 0.00 N ATOM 456 CA LEU A 29 0.094 2.396 -6.484 1.00 0.00 C ATOM 457 C LEU A 29 -1.013 2.232 -5.448 1.00 0.00 C ATOM 458 O LEU A 29 -0.971 1.319 -4.620 1.00 0.00 O ATOM 459 CB LEU A 29 1.187 3.338 -5.965 1.00 0.00 C ATOM 460 CG LEU A 29 1.877 2.893 -4.673 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.433 1.484 -4.814 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.986 3.866 -4.303 1.00 0.00 C ATOM 0 H LEU A 29 -0.068 3.796 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 29 0.538 1.417 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.944 3.451 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.748 4.322 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 29 1.135 2.888 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.919 1.190 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.620 0.792 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.160 1.459 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.467 3.536 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.723 3.900 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.564 4.860 -4.156 1.00 0.00 H new ATOM 474 N LEU A 30 -2.006 3.111 -5.512 1.00 0.00 N ATOM 475 CA LEU A 30 -3.173 3.014 -4.649 1.00 0.00 C ATOM 476 C LEU A 30 -3.862 1.667 -4.809 1.00 0.00 C ATOM 477 O LEU A 30 -3.922 0.884 -3.865 1.00 0.00 O ATOM 478 CB LEU A 30 -4.170 4.132 -4.951 1.00 0.00 C ATOM 479 CG LEU A 30 -4.195 5.272 -3.937 1.00 0.00 C ATOM 480 CD1 LEU A 30 -5.242 6.304 -4.324 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.481 4.728 -2.548 1.00 0.00 C ATOM 0 H LEU A 30 -2.024 3.902 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.825 3.114 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.941 4.546 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.169 3.700 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.218 5.756 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.247 7.110 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.007 6.710 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.225 5.833 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.497 5.549 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.449 4.226 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.703 4.017 -2.268 1.00 0.00 H new ATOM 493 N GLU A 31 -4.360 1.395 -6.012 1.00 0.00 N ATOM 494 CA GLU A 31 -5.119 0.173 -6.269 1.00 0.00 C ATOM 495 C GLU A 31 -4.270 -1.068 -6.009 1.00 0.00 C ATOM 496 O GLU A 31 -4.782 -2.100 -5.565 1.00 0.00 O ATOM 497 CB GLU A 31 -5.646 0.161 -7.703 1.00 0.00 C ATOM 498 CG GLU A 31 -6.548 1.341 -8.033 1.00 0.00 C ATOM 499 CD GLU A 31 -7.703 1.487 -7.063 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.566 0.583 -7.009 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.762 2.513 -6.353 1.00 0.00 O ATOM 0 H GLU A 31 -4.252 2.003 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.966 0.155 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.801 0.157 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.197 -0.764 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.957 2.257 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.941 1.221 -9.043 1.00 0.00 H new ATOM 508 N LYS A 32 -2.976 -0.958 -6.284 1.00 0.00 N ATOM 509 CA LYS A 32 -2.034 -2.029 -5.991 1.00 0.00 C ATOM 510 C LYS A 32 -2.026 -2.349 -4.495 1.00 0.00 C ATOM 511 O LYS A 32 -2.302 -3.481 -4.095 1.00 0.00 O ATOM 512 CB LYS A 32 -0.629 -1.642 -6.473 1.00 0.00 C ATOM 513 CG LYS A 32 0.485 -2.528 -5.933 1.00 0.00 C ATOM 514 CD LYS A 32 1.800 -2.270 -6.651 1.00 0.00 C ATOM 515 CE LYS A 32 2.048 -3.284 -7.763 1.00 0.00 C ATOM 516 NZ LYS A 32 0.923 -3.357 -8.733 1.00 0.00 N ATOM 0 H LYS A 32 -2.554 -0.133 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.349 -2.926 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.609 -1.677 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.430 -0.610 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.610 -2.347 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.206 -3.575 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.793 -1.264 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.620 -2.310 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.963 -3.020 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.208 -4.268 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.197 -3.956 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.088 -3.765 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.697 -2.401 -9.075 1.00 0.00 H new ATOM 530 N LEU A 33 -1.745 -1.342 -3.673 1.00 0.00 N ATOM 531 CA LEU A 33 -1.705 -1.528 -2.228 1.00 0.00 C ATOM 532 C LEU A 33 -3.070 -1.911 -1.676 1.00 0.00 C ATOM 533 O LEU A 33 -3.156 -2.722 -0.765 1.00 0.00 O ATOM 534 CB LEU A 33 -1.195 -0.272 -1.526 1.00 0.00 C ATOM 535 CG LEU A 33 0.324 -0.156 -1.422 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.704 1.188 -0.824 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.886 -1.297 -0.579 1.00 0.00 C ATOM 0 H LEU A 33 -1.542 -0.392 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.013 -2.347 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.574 0.601 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.615 -0.241 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 33 0.753 -0.225 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.789 1.261 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.327 1.989 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.269 1.279 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.970 -1.201 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.457 -1.255 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.633 -2.251 -1.043 1.00 0.00 H new ATOM 549 N LYS A 34 -4.129 -1.336 -2.237 1.00 0.00 N ATOM 550 CA LYS A 34 -5.493 -1.649 -1.811 1.00 0.00 C ATOM 551 C LYS A 34 -5.772 -3.146 -1.922 1.00 0.00 C ATOM 552 O LYS A 34 -6.432 -3.726 -1.060 1.00 0.00 O ATOM 553 CB LYS A 34 -6.509 -0.865 -2.645 1.00 0.00 C ATOM 554 CG LYS A 34 -6.512 0.627 -2.358 1.00 0.00 C ATOM 555 CD LYS A 34 -7.346 1.384 -3.376 1.00 0.00 C ATOM 556 CE LYS A 34 -8.788 0.907 -3.384 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.593 1.565 -4.443 1.00 0.00 N ATOM 0 H LYS A 34 -4.071 -0.649 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.592 -1.357 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.297 -1.022 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.506 -1.264 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.905 0.806 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.489 1.004 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.316 2.450 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.914 1.256 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.810 -0.173 -3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.239 1.105 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.321 2.164 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.973 2.152 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.050 0.840 -5.032 1.00 0.00 H new ATOM 571 N GLY A 35 -5.249 -3.764 -2.973 1.00 0.00 N ATOM 572 CA GLY A 35 -5.434 -5.189 -3.159 1.00 0.00 C ATOM 573 C GLY A 35 -4.646 -6.000 -2.153 1.00 0.00 C ATOM 574 O GLY A 35 -5.198 -6.835 -1.439 1.00 0.00 O ATOM 0 H GLY A 35 -4.700 -3.304 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.493 -5.432 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.127 -5.466 -4.168 1.00 0.00 H new ATOM 578 N GLU A 36 -3.354 -5.745 -2.075 1.00 0.00 N ATOM 579 CA GLU A 36 -2.500 -6.462 -1.140 1.00 0.00 C ATOM 580 C GLU A 36 -2.942 -6.222 0.301 1.00 0.00 C ATOM 581 O GLU A 36 -2.838 -7.106 1.147 1.00 0.00 O ATOM 582 CB GLU A 36 -1.033 -6.062 -1.331 1.00 0.00 C ATOM 583 CG GLU A 36 -0.316 -6.853 -2.420 1.00 0.00 C ATOM 584 CD GLU A 36 -0.894 -6.651 -3.809 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.972 -7.207 -4.101 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.252 -5.963 -4.630 1.00 0.00 O ATOM 0 H GLU A 36 -2.871 -5.050 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.595 -7.528 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.984 -5.001 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.503 -6.198 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.736 -6.567 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.356 -7.913 -2.171 1.00 0.00 H new ATOM 593 N LEU A 37 -3.470 -5.035 0.562 1.00 0.00 N ATOM 594 CA LEU A 37 -3.955 -4.680 1.887 1.00 0.00 C ATOM 595 C LEU A 37 -5.173 -5.515 2.275 1.00 0.00 C ATOM 596 O LEU A 37 -5.286 -5.956 3.418 1.00 0.00 O ATOM 597 CB LEU A 37 -4.301 -3.190 1.937 1.00 0.00 C ATOM 598 CG LEU A 37 -4.788 -2.672 3.289 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.729 -2.880 4.358 1.00 0.00 C ATOM 600 CD2 LEU A 37 -5.159 -1.203 3.187 1.00 0.00 C ATOM 0 H LEU A 37 -3.574 -4.296 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.161 -4.890 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.419 -2.620 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.071 -2.989 1.192 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.675 -3.237 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.097 -2.504 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.507 -3.943 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.822 -2.342 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.504 -0.847 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.286 -0.628 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.953 -1.079 2.451 1.00 0.00 H new ATOM 612 N GLU A 38 -6.076 -5.753 1.324 1.00 0.00 N ATOM 613 CA GLU A 38 -7.279 -6.522 1.620 1.00 0.00 C ATOM 614 C GLU A 38 -6.962 -8.013 1.706 1.00 0.00 C ATOM 615 O GLU A 38 -7.775 -8.804 2.193 1.00 0.00 O ATOM 616 CB GLU A 38 -8.395 -6.228 0.599 1.00 0.00 C ATOM 617 CG GLU A 38 -8.057 -6.539 -0.856 1.00 0.00 C ATOM 618 CD GLU A 38 -8.284 -7.992 -1.239 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.218 -8.612 -0.695 1.00 0.00 O ATOM 620 OE2 GLU A 38 -7.560 -8.508 -2.125 1.00 0.00 O ATOM 0 H GLU A 38 -5.998 -5.430 0.360 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.651 -6.210 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.279 -6.802 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.663 -5.174 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.661 -5.903 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.014 -6.283 -1.040 1.00 0.00 H new ATOM 627 N LYS A 39 -5.778 -8.392 1.237 1.00 0.00 N ATOM 628 CA LYS A 39 -5.299 -9.762 1.391 1.00 0.00 C ATOM 629 C LYS A 39 -4.693 -9.966 2.778 1.00 0.00 C ATOM 630 O LYS A 39 -4.691 -11.075 3.313 1.00 0.00 O ATOM 631 CB LYS A 39 -4.270 -10.088 0.311 1.00 0.00 C ATOM 632 CG LYS A 39 -4.778 -9.784 -1.082 1.00 0.00 C ATOM 633 CD LYS A 39 -3.751 -10.092 -2.156 1.00 0.00 C ATOM 634 CE LYS A 39 -4.165 -9.485 -3.488 1.00 0.00 C ATOM 635 NZ LYS A 39 -5.601 -9.734 -3.785 1.00 0.00 N ATOM 0 H LYS A 39 -5.133 -7.771 0.748 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.147 -10.438 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.360 -9.517 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.002 -11.143 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.681 -10.365 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.057 -8.732 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.778 -9.700 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.641 -11.171 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.978 -8.411 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.551 -9.904 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.802 -9.474 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.815 -10.742 -3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.191 -9.161 -3.149 1.00 0.00 H new ATOM 649 N ILE A 40 -4.188 -8.885 3.355 1.00 0.00 N ATOM 650 CA ILE A 40 -3.618 -8.916 4.696 1.00 0.00 C ATOM 651 C ILE A 40 -4.734 -8.860 5.743 1.00 0.00 C ATOM 652 O ILE A 40 -5.746 -8.184 5.549 1.00 0.00 O ATOM 653 CB ILE A 40 -2.600 -7.753 4.897 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.184 -8.192 4.496 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.595 -7.236 6.330 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.056 -8.668 3.067 1.00 0.00 C ATOM 0 H ILE A 40 -4.161 -7.967 2.911 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.074 -9.852 4.821 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.920 -6.937 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.501 -7.356 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.863 -8.993 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.871 -6.427 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.588 -6.866 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.323 -8.045 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.024 -8.958 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.710 -9.526 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.342 -7.864 2.389 1.00 0.00 H new ATOM 668 N SER A 41 -4.559 -9.604 6.830 1.00 0.00 N ATOM 669 CA SER A 41 -5.553 -9.658 7.897 1.00 0.00 C ATOM 670 C SER A 41 -5.783 -8.274 8.504 1.00 0.00 C ATOM 671 O SER A 41 -4.838 -7.509 8.709 1.00 0.00 O ATOM 672 CB SER A 41 -5.101 -10.643 8.976 1.00 0.00 C ATOM 673 OG SER A 41 -4.795 -11.907 8.409 1.00 0.00 O ATOM 0 H SER A 41 -3.734 -10.181 6.996 1.00 0.00 H new ATOM 0 HA SER A 41 -6.497 -9.999 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.225 -10.249 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.886 -10.755 9.724 1.00 0.00 H new ATOM 0 HG SER A 41 -4.506 -12.521 9.116 1.00 0.00 H new ATOM 679 N PHE A 42 -7.037 -7.966 8.812 1.00 0.00 N ATOM 680 CA PHE A 42 -7.407 -6.642 9.302 1.00 0.00 C ATOM 681 C PHE A 42 -6.876 -6.410 10.712 1.00 0.00 C ATOM 682 O PHE A 42 -6.719 -5.271 11.149 1.00 0.00 O ATOM 683 CB PHE A 42 -8.926 -6.468 9.272 1.00 0.00 C ATOM 684 CG PHE A 42 -9.515 -6.569 7.892 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.335 -5.549 6.969 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.240 -7.687 7.515 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.870 -5.643 5.700 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.776 -7.786 6.246 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.590 -6.763 5.337 1.00 0.00 C ATOM 0 H PHE A 42 -7.818 -8.617 8.731 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.954 -5.901 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.383 -7.225 9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.181 -5.497 9.697 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.770 -4.671 7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.388 -8.491 8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.725 -4.841 4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.340 -8.663 5.965 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.007 -6.839 4.344 1.00 0.00 H new ATOM 699 N SER A 43 -6.597 -7.496 11.416 1.00 0.00 N ATOM 700 CA SER A 43 -6.013 -7.422 12.746 1.00 0.00 C ATOM 701 C SER A 43 -4.488 -7.480 12.670 1.00 0.00 C ATOM 702 O SER A 43 -3.798 -7.430 13.690 1.00 0.00 O ATOM 703 CB SER A 43 -6.563 -8.566 13.595 1.00 0.00 C ATOM 704 OG SER A 43 -6.724 -9.737 12.809 1.00 0.00 O ATOM 0 H SER A 43 -6.767 -8.446 11.085 1.00 0.00 H new ATOM 0 HA SER A 43 -6.281 -6.472 13.209 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.886 -8.768 14.425 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.521 -8.277 14.028 1.00 0.00 H new ATOM 0 HG SER A 43 -7.076 -10.461 13.368 1.00 0.00 H new ATOM 710 N ASP A 44 -3.973 -7.573 11.450 1.00 0.00 N ATOM 711 CA ASP A 44 -2.533 -7.658 11.225 1.00 0.00 C ATOM 712 C ASP A 44 -1.999 -6.354 10.641 1.00 0.00 C ATOM 713 O ASP A 44 -0.877 -5.944 10.935 1.00 0.00 O ATOM 714 CB ASP A 44 -2.212 -8.834 10.296 1.00 0.00 C ATOM 715 CG ASP A 44 -0.737 -8.932 9.958 1.00 0.00 C ATOM 716 OD1 ASP A 44 0.086 -9.077 10.886 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.393 -8.901 8.759 1.00 0.00 O ATOM 0 H ASP A 44 -4.533 -7.592 10.597 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.043 -7.826 12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.534 -9.762 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.785 -8.730 9.375 1.00 0.00 H new ATOM 722 N LEU A 45 -2.817 -5.705 9.817 1.00 0.00 N ATOM 723 CA LEU A 45 -2.454 -4.421 9.230 1.00 0.00 C ATOM 724 C LEU A 45 -2.371 -3.338 10.310 1.00 0.00 C ATOM 725 O LEU A 45 -3.004 -3.455 11.367 1.00 0.00 O ATOM 726 CB LEU A 45 -3.448 -4.039 8.114 1.00 0.00 C ATOM 727 CG LEU A 45 -4.941 -4.114 8.463 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.394 -2.880 9.227 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.767 -4.287 7.198 1.00 0.00 C ATOM 0 H LEU A 45 -3.737 -6.049 9.541 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.466 -4.508 8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.225 -3.021 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.266 -4.690 7.259 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.093 -4.979 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.456 -2.965 9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.826 -2.797 10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.226 -1.992 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.824 -4.339 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.598 -3.439 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.472 -5.207 6.694 1.00 0.00 H new ATOM 741 N PRO A 46 -1.558 -2.291 10.068 1.00 0.00 N ATOM 742 CA PRO A 46 -1.347 -1.190 11.020 1.00 0.00 C ATOM 743 C PRO A 46 -2.640 -0.644 11.624 1.00 0.00 C ATOM 744 O PRO A 46 -3.662 -0.528 10.944 1.00 0.00 O ATOM 745 CB PRO A 46 -0.669 -0.122 10.166 1.00 0.00 C ATOM 746 CG PRO A 46 0.074 -0.888 9.132 1.00 0.00 C ATOM 747 CD PRO A 46 -0.758 -2.109 8.841 1.00 0.00 C ATOM 0 HA PRO A 46 -0.767 -1.518 11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.400 0.548 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.003 0.495 10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.218 -0.290 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.065 -1.167 9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.393 -1.961 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.134 -2.979 8.638 1.00 0.00 H new ATOM 755 N LEU A 47 -2.567 -0.294 12.902 1.00 0.00 N ATOM 756 CA LEU A 47 -3.711 0.216 13.656 1.00 0.00 C ATOM 757 C LEU A 47 -4.272 1.466 12.989 1.00 0.00 C ATOM 758 O LEU A 47 -5.485 1.678 12.952 1.00 0.00 O ATOM 759 CB LEU A 47 -3.274 0.564 15.084 1.00 0.00 C ATOM 760 CG LEU A 47 -4.293 0.300 16.201 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.662 0.865 15.870 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.383 -1.188 16.503 1.00 0.00 C ATOM 0 H LEU A 47 -1.709 -0.355 13.450 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.482 -0.554 13.680 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.369 0.001 15.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.007 1.620 15.110 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.938 0.818 17.092 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.350 0.654 16.689 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.586 1.943 15.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.034 0.404 14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.110 -1.355 17.297 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.696 -1.723 15.606 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.407 -1.554 16.822 1.00 0.00 H new ATOM 774 N GLU A 48 -3.379 2.286 12.459 1.00 0.00 N ATOM 775 CA GLU A 48 -3.762 3.550 11.850 1.00 0.00 C ATOM 776 C GLU A 48 -4.767 3.315 10.716 1.00 0.00 C ATOM 777 O GLU A 48 -5.671 4.122 10.474 1.00 0.00 O ATOM 778 CB GLU A 48 -2.521 4.261 11.304 1.00 0.00 C ATOM 779 CG GLU A 48 -2.656 5.772 11.238 1.00 0.00 C ATOM 780 CD GLU A 48 -2.597 6.416 12.607 1.00 0.00 C ATOM 781 OE1 GLU A 48 -3.654 6.542 13.257 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.489 6.793 13.042 1.00 0.00 O ATOM 0 H GLU A 48 -2.377 2.097 12.438 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.231 4.175 12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.665 4.010 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.307 3.881 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.860 6.178 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.600 6.029 10.759 1.00 0.00 H new ATOM 789 N LEU A 49 -4.614 2.183 10.037 1.00 0.00 N ATOM 790 CA LEU A 49 -5.487 1.833 8.927 1.00 0.00 C ATOM 791 C LEU A 49 -6.868 1.442 9.447 1.00 0.00 C ATOM 792 O LEU A 49 -7.869 1.593 8.754 1.00 0.00 O ATOM 793 CB LEU A 49 -4.881 0.685 8.114 1.00 0.00 C ATOM 794 CG LEU A 49 -3.436 0.899 7.655 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.996 -0.235 6.746 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.281 2.237 6.949 1.00 0.00 C ATOM 0 H LEU A 49 -3.891 1.492 10.238 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.590 2.702 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.923 -0.224 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.503 0.517 7.235 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.797 0.907 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.967 -0.068 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.061 -1.180 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.644 -0.272 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.245 2.364 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.933 2.265 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.554 3.042 7.631 1.00 0.00 H new ATOM 808 N GLN A 50 -6.909 0.963 10.684 1.00 0.00 N ATOM 809 CA GLN A 50 -8.166 0.602 11.329 1.00 0.00 C ATOM 810 C GLN A 50 -8.932 1.866 11.718 1.00 0.00 C ATOM 811 O GLN A 50 -10.158 1.854 11.847 1.00 0.00 O ATOM 812 CB GLN A 50 -7.896 -0.275 12.556 1.00 0.00 C ATOM 813 CG GLN A 50 -7.121 -1.542 12.223 1.00 0.00 C ATOM 814 CD GLN A 50 -6.743 -2.355 13.446 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.451 -2.364 14.456 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.616 -3.046 13.363 1.00 0.00 N ATOM 0 H GLN A 50 -6.083 0.815 11.263 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.777 0.030 10.631 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.338 0.303 13.293 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.845 -0.547 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.720 -2.161 11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.215 -1.273 11.680 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.059 -3.012 12.509 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.306 -3.612 14.153 1.00 0.00 H new ATOM 825 N LYS A 51 -8.194 2.959 11.914 1.00 0.00 N ATOM 826 CA LYS A 51 -8.796 4.271 12.103 1.00 0.00 C ATOM 827 C LYS A 51 -9.416 4.758 10.800 1.00 0.00 C ATOM 828 O LYS A 51 -10.462 5.406 10.791 1.00 0.00 O ATOM 829 CB LYS A 51 -7.732 5.272 12.552 1.00 0.00 C ATOM 830 CG LYS A 51 -7.534 5.364 14.051 1.00 0.00 C ATOM 831 CD LYS A 51 -7.248 4.022 14.693 1.00 0.00 C ATOM 832 CE LYS A 51 -6.970 4.185 16.177 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.066 4.908 16.876 1.00 0.00 N ATOM 0 H LYS A 51 -7.174 2.957 11.945 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.571 4.190 12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.782 5.002 12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.000 6.259 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.709 6.045 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.427 5.795 14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.098 3.356 14.548 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.391 3.556 14.207 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.838 3.203 16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.034 4.728 16.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.948 4.807 17.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.035 5.916 16.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.983 4.507 16.592 1.00 0.00 H new ATOM 847 N LEU A 52 -8.761 4.432 9.699 1.00 0.00 N ATOM 848 CA LEU A 52 -9.217 4.858 8.387 1.00 0.00 C ATOM 849 C LEU A 52 -10.375 3.998 7.890 1.00 0.00 C ATOM 850 O LEU A 52 -10.214 2.815 7.596 1.00 0.00 O ATOM 851 CB LEU A 52 -8.056 4.816 7.400 1.00 0.00 C ATOM 852 CG LEU A 52 -6.877 5.711 7.777 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.688 5.426 6.881 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.276 7.176 7.686 1.00 0.00 C ATOM 0 H LEU A 52 -7.909 3.872 9.688 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.583 5.881 8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.704 3.788 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.420 5.111 6.416 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.591 5.494 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.857 6.072 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.391 4.383 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.960 5.617 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.426 7.802 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.585 7.406 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.103 7.371 8.369 1.00 0.00 H new ATOM 866 N ASP A 53 -11.543 4.616 7.793 1.00 0.00 N ATOM 867 CA ASP A 53 -12.756 3.930 7.346 1.00 0.00 C ATOM 868 C ASP A 53 -12.650 3.475 5.893 1.00 0.00 C ATOM 869 O ASP A 53 -13.164 2.420 5.520 1.00 0.00 O ATOM 870 CB ASP A 53 -13.962 4.856 7.520 1.00 0.00 C ATOM 871 CG ASP A 53 -15.167 4.427 6.703 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.830 3.441 7.077 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.474 5.102 5.696 1.00 0.00 O ATOM 0 H ASP A 53 -11.681 5.601 8.019 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.883 3.038 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.238 4.888 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.679 5.869 7.234 1.00 0.00 H new ATOM 878 N SER A 54 -11.970 4.264 5.082 1.00 0.00 N ATOM 879 CA SER A 54 -11.881 3.991 3.662 1.00 0.00 C ATOM 880 C SER A 54 -10.645 3.152 3.345 1.00 0.00 C ATOM 881 O SER A 54 -9.523 3.530 3.687 1.00 0.00 O ATOM 882 CB SER A 54 -11.851 5.308 2.882 1.00 0.00 C ATOM 883 OG SER A 54 -12.016 5.088 1.495 1.00 0.00 O ATOM 0 H SER A 54 -11.471 5.100 5.384 1.00 0.00 H new ATOM 0 HA SER A 54 -12.759 3.420 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.641 5.966 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.904 5.818 3.061 1.00 0.00 H new ATOM 0 HG SER A 54 -11.994 5.946 1.023 1.00 0.00 H new ATOM 889 N LEU A 55 -10.866 2.008 2.702 1.00 0.00 N ATOM 890 CA LEU A 55 -9.780 1.115 2.296 1.00 0.00 C ATOM 891 C LEU A 55 -8.729 1.846 1.442 1.00 0.00 C ATOM 892 O LEU A 55 -7.535 1.741 1.721 1.00 0.00 O ATOM 893 CB LEU A 55 -10.337 -0.098 1.537 1.00 0.00 C ATOM 894 CG LEU A 55 -9.304 -1.157 1.137 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.699 -1.801 2.374 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.937 -2.208 0.237 1.00 0.00 C ATOM 0 H LEU A 55 -11.796 1.674 2.448 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.284 0.768 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.098 -0.573 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.835 0.257 0.635 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.505 -0.668 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.967 -2.551 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.209 -1.038 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.486 -2.277 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.188 -2.951 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.756 -2.695 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.321 -1.731 -0.665 1.00 0.00 H new ATOM 908 N PRO A 56 -9.137 2.591 0.384 1.00 0.00 N ATOM 909 CA PRO A 56 -8.193 3.383 -0.416 1.00 0.00 C ATOM 910 C PRO A 56 -7.402 4.383 0.427 1.00 0.00 C ATOM 911 O PRO A 56 -6.205 4.570 0.217 1.00 0.00 O ATOM 912 CB PRO A 56 -9.079 4.121 -1.429 1.00 0.00 C ATOM 913 CG PRO A 56 -10.472 3.982 -0.920 1.00 0.00 C ATOM 914 CD PRO A 56 -10.509 2.697 -0.146 1.00 0.00 C ATOM 0 HA PRO A 56 -7.442 2.746 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.794 5.170 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.980 3.688 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.741 4.826 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.187 3.962 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.249 2.728 0.653 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.763 1.849 -0.783 1.00 0.00 H new ATOM 922 N ALA A 57 -8.074 5.008 1.389 1.00 0.00 N ATOM 923 CA ALA A 57 -7.427 5.969 2.277 1.00 0.00 C ATOM 924 C ALA A 57 -6.336 5.294 3.101 1.00 0.00 C ATOM 925 O ALA A 57 -5.299 5.896 3.387 1.00 0.00 O ATOM 926 CB ALA A 57 -8.452 6.629 3.187 1.00 0.00 C ATOM 0 H ALA A 57 -9.067 4.866 1.574 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.962 6.741 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.951 7.342 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.193 7.151 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.947 5.868 3.790 1.00 0.00 H new ATOM 932 N GLN A 58 -6.575 4.037 3.467 1.00 0.00 N ATOM 933 CA GLN A 58 -5.588 3.247 4.194 1.00 0.00 C ATOM 934 C GLN A 58 -4.325 3.085 3.361 1.00 0.00 C ATOM 935 O GLN A 58 -3.219 3.369 3.827 1.00 0.00 O ATOM 936 CB GLN A 58 -6.154 1.872 4.547 1.00 0.00 C ATOM 937 CG GLN A 58 -7.355 1.917 5.474 1.00 0.00 C ATOM 938 CD GLN A 58 -7.938 0.542 5.746 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.230 -0.462 5.734 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.233 0.491 6.006 1.00 0.00 N ATOM 0 H GLN A 58 -7.446 3.544 3.271 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.342 3.773 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.437 1.360 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.370 1.277 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.063 2.376 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.124 2.553 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.787 1.347 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.678 -0.405 6.206 1.00 0.00 H new ATOM 949 N ALA A 59 -4.500 2.649 2.119 1.00 0.00 N ATOM 950 CA ALA A 59 -3.380 2.462 1.208 1.00 0.00 C ATOM 951 C ALA A 59 -2.658 3.782 0.954 1.00 0.00 C ATOM 952 O ALA A 59 -1.430 3.830 0.892 1.00 0.00 O ATOM 953 CB ALA A 59 -3.861 1.856 -0.101 1.00 0.00 C ATOM 0 H ALA A 59 -5.410 2.418 1.720 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.672 1.775 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.013 1.722 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.326 0.890 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.589 2.522 -0.564 1.00 0.00 H new ATOM 959 N GLN A 60 -3.432 4.852 0.826 1.00 0.00 N ATOM 960 CA GLN A 60 -2.874 6.178 0.607 1.00 0.00 C ATOM 961 C GLN A 60 -2.013 6.600 1.793 1.00 0.00 C ATOM 962 O GLN A 60 -0.947 7.187 1.615 1.00 0.00 O ATOM 963 CB GLN A 60 -3.992 7.197 0.376 1.00 0.00 C ATOM 964 CG GLN A 60 -3.495 8.605 0.078 1.00 0.00 C ATOM 965 CD GLN A 60 -2.591 8.664 -1.140 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.055 8.837 -2.262 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.294 8.523 -0.923 1.00 0.00 N ATOM 0 H GLN A 60 -4.451 4.826 0.870 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.245 6.142 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.612 6.859 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.630 7.227 1.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.351 9.262 -0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.955 8.986 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.948 8.381 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.640 8.556 -1.705 1.00 0.00 H new ATOM 976 N HIS A 61 -2.471 6.289 2.999 1.00 0.00 N ATOM 977 CA HIS A 61 -1.724 6.620 4.207 1.00 0.00 C ATOM 978 C HIS A 61 -0.415 5.838 4.259 1.00 0.00 C ATOM 979 O HIS A 61 0.592 6.340 4.758 1.00 0.00 O ATOM 980 CB HIS A 61 -2.559 6.339 5.460 1.00 0.00 C ATOM 981 CG HIS A 61 -1.825 6.592 6.746 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.568 7.852 7.237 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.277 5.728 7.633 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.894 7.752 8.367 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.704 6.475 8.631 1.00 0.00 N ATOM 0 H HIS A 61 -3.355 5.809 3.167 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.494 7.685 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.455 6.960 5.435 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.890 5.301 5.439 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -1.854 8.726 6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.289 4.650 7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.555 8.578 8.974 1.00 0.00 H new ATOM 994 N LEU A 62 -0.443 4.607 3.758 1.00 0.00 N ATOM 995 CA LEU A 62 0.763 3.791 3.660 1.00 0.00 C ATOM 996 C LEU A 62 1.809 4.501 2.808 1.00 0.00 C ATOM 997 O LEU A 62 2.969 4.639 3.207 1.00 0.00 O ATOM 998 CB LEU A 62 0.435 2.422 3.055 1.00 0.00 C ATOM 999 CG LEU A 62 -0.441 1.508 3.915 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.887 0.295 3.113 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.311 1.062 5.162 1.00 0.00 C ATOM 0 H LEU A 62 -1.288 4.152 3.413 1.00 0.00 H new ATOM 0 HA LEU A 62 1.164 3.642 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.064 2.578 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.371 1.905 2.845 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.322 2.070 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.509 -0.346 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.460 0.623 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.012 -0.263 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.329 0.413 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.209 0.517 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.592 1.936 5.750 1.00 0.00 H new ATOM 1013 N ILE A 63 1.373 4.969 1.642 1.00 0.00 N ATOM 1014 CA ILE A 63 2.241 5.696 0.720 1.00 0.00 C ATOM 1015 C ILE A 63 2.723 7.001 1.349 1.00 0.00 C ATOM 1016 O ILE A 63 3.868 7.411 1.159 1.00 0.00 O ATOM 1017 CB ILE A 63 1.506 6.021 -0.600 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.835 4.766 -1.163 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.479 6.603 -1.619 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.057 5.036 -2.357 1.00 0.00 C ATOM 0 H ILE A 63 0.415 4.856 1.311 1.00 0.00 H new ATOM 0 HA ILE A 63 3.095 5.054 0.506 1.00 0.00 H new ATOM 0 HB ILE A 63 0.734 6.762 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.606 4.051 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.243 4.298 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.947 6.827 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.917 7.519 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.269 5.880 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.498 4.100 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.850 5.727 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.534 5.476 -3.160 1.00 0.00 H new ATOM 1032 N ASP A 64 1.833 7.646 2.094 1.00 0.00 N ATOM 1033 CA ASP A 64 2.137 8.924 2.732 1.00 0.00 C ATOM 1034 C ASP A 64 3.172 8.763 3.838 1.00 0.00 C ATOM 1035 O ASP A 64 4.261 9.331 3.761 1.00 0.00 O ATOM 1036 CB ASP A 64 0.859 9.558 3.295 1.00 0.00 C ATOM 1037 CG ASP A 64 1.135 10.775 4.162 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.615 11.800 3.633 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.866 10.709 5.381 1.00 0.00 O ATOM 0 H ASP A 64 0.889 7.303 2.273 1.00 0.00 H new ATOM 0 HA ASP A 64 2.557 9.582 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.208 9.846 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.319 8.815 3.882 1.00 0.00 H new ATOM 1044 N THR A 65 2.833 7.987 4.861 1.00 0.00 N ATOM 1045 CA THR A 65 3.718 7.801 6.000 1.00 0.00 C ATOM 1046 C THR A 65 3.537 6.434 6.654 1.00 0.00 C ATOM 1047 O THR A 65 2.973 6.324 7.746 1.00 0.00 O ATOM 1048 CB THR A 65 3.508 8.899 7.064 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.109 9.206 7.193 1.00 0.00 O ATOM 1050 CG2 THR A 65 4.288 10.158 6.719 1.00 0.00 C ATOM 0 H THR A 65 1.952 7.478 4.923 1.00 0.00 H new ATOM 0 HA THR A 65 4.732 7.867 5.607 1.00 0.00 H new ATOM 0 HB THR A 65 3.881 8.519 8.015 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.876 9.935 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.119 10.912 7.487 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.351 9.924 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.953 10.541 5.755 1.00 0.00 H new ATOM 1058 N SER A 66 3.965 5.384 5.969 1.00 0.00 N ATOM 1059 CA SER A 66 4.011 4.055 6.566 1.00 0.00 C ATOM 1060 C SER A 66 5.171 3.250 5.988 1.00 0.00 C ATOM 1061 O SER A 66 5.975 3.776 5.215 1.00 0.00 O ATOM 1062 CB SER A 66 2.687 3.324 6.343 1.00 0.00 C ATOM 1063 OG SER A 66 1.604 4.043 6.916 1.00 0.00 O ATOM 0 H SER A 66 4.285 5.425 5.001 1.00 0.00 H new ATOM 0 HA SER A 66 4.169 4.163 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.516 3.193 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.739 2.328 6.782 1.00 0.00 H new ATOM 0 HG SER A 66 1.948 4.827 7.393 1.00 0.00 H new ATOM 1069 N CYS A 67 5.260 1.984 6.373 1.00 0.00 N ATOM 1070 CA CYS A 67 6.332 1.117 5.911 1.00 0.00 C ATOM 1071 C CYS A 67 5.800 0.105 4.899 1.00 0.00 C ATOM 1072 O CYS A 67 4.676 0.241 4.417 1.00 0.00 O ATOM 1073 CB CYS A 67 6.962 0.398 7.102 1.00 0.00 C ATOM 1074 SG CYS A 67 7.534 1.507 8.409 1.00 0.00 S ATOM 0 H CYS A 67 4.599 1.535 7.007 1.00 0.00 H new ATOM 0 HA CYS A 67 7.092 1.724 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.234 -0.296 7.521 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.804 -0.198 6.750 1.00 0.00 H new ATOM 0 HG CYS A 67 8.050 0.808 9.376 1.00 0.00 H new ATOM 1080 N GLU A 68 6.593 -0.920 4.610 1.00 0.00 N ATOM 1081 CA GLU A 68 6.242 -1.906 3.595 1.00 0.00 C ATOM 1082 C GLU A 68 5.551 -3.104 4.239 1.00 0.00 C ATOM 1083 O GLU A 68 5.427 -3.171 5.464 1.00 0.00 O ATOM 1084 CB GLU A 68 7.498 -2.372 2.847 1.00 0.00 C ATOM 1085 CG GLU A 68 8.471 -1.248 2.516 1.00 0.00 C ATOM 1086 CD GLU A 68 9.582 -1.113 3.543 1.00 0.00 C ATOM 1087 OE1 GLU A 68 9.279 -0.942 4.745 1.00 0.00 O ATOM 1088 OE2 GLU A 68 10.765 -1.183 3.153 1.00 0.00 O ATOM 0 H GLU A 68 7.489 -1.090 5.067 1.00 0.00 H new ATOM 0 HA GLU A 68 5.559 -1.441 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.013 -3.119 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.197 -2.863 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.909 -1.430 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.925 -0.307 2.452 1.00 0.00 H new ATOM 1095 N LEU A 69 5.106 -4.053 3.423 1.00 0.00 N ATOM 1096 CA LEU A 69 4.327 -5.175 3.935 1.00 0.00 C ATOM 1097 C LEU A 69 4.685 -6.484 3.227 1.00 0.00 C ATOM 1098 O LEU A 69 5.154 -6.480 2.084 1.00 0.00 O ATOM 1099 CB LEU A 69 2.823 -4.891 3.795 1.00 0.00 C ATOM 1100 CG LEU A 69 2.200 -5.163 2.425 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.687 -5.126 2.542 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.674 -4.147 1.398 1.00 0.00 C ATOM 0 H LEU A 69 5.268 -4.069 2.416 1.00 0.00 H new ATOM 0 HA LEU A 69 4.573 -5.290 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.293 -5.490 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.649 -3.845 4.047 1.00 0.00 H new ATOM 0 HG LEU A 69 2.515 -6.150 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.242 -5.320 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.358 -5.888 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.373 -4.144 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.216 -4.364 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.388 -3.145 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.759 -4.202 1.305 1.00 0.00 H new ATOM 1114 N ASP A 70 4.479 -7.595 3.931 1.00 0.00 N ATOM 1115 CA ASP A 70 4.627 -8.929 3.348 1.00 0.00 C ATOM 1116 C ASP A 70 3.320 -9.305 2.662 1.00 0.00 C ATOM 1117 O ASP A 70 2.253 -9.253 3.277 1.00 0.00 O ATOM 1118 CB ASP A 70 4.971 -9.964 4.435 1.00 0.00 C ATOM 1119 CG ASP A 70 5.314 -11.340 3.877 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.511 -11.899 3.100 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.383 -11.882 4.242 1.00 0.00 O ATOM 0 H ASP A 70 4.207 -7.598 4.914 1.00 0.00 H new ATOM 0 HA ASP A 70 5.442 -8.921 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.814 -9.598 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.126 -10.058 5.117 1.00 0.00 H new ATOM 1126 N VAL A 71 3.394 -9.681 1.396 1.00 0.00 N ATOM 1127 CA VAL A 71 2.187 -9.900 0.611 1.00 0.00 C ATOM 1128 C VAL A 71 1.910 -11.386 0.397 1.00 0.00 C ATOM 1129 O VAL A 71 1.087 -11.759 -0.443 1.00 0.00 O ATOM 1130 CB VAL A 71 2.264 -9.171 -0.747 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.432 -7.676 -0.533 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.398 -9.712 -1.597 1.00 0.00 C ATOM 0 H VAL A 71 4.267 -9.840 0.893 1.00 0.00 H new ATOM 0 HA VAL A 71 1.358 -9.483 1.183 1.00 0.00 H new ATOM 0 HB VAL A 71 1.330 -9.350 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.485 -7.174 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.582 -7.291 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.350 -7.489 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.427 -9.179 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.344 -9.572 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.239 -10.774 -1.782 1.00 0.00 H new ATOM 1142 N GLY A 72 2.589 -12.231 1.162 1.00 0.00 N ATOM 1143 CA GLY A 72 2.335 -13.658 1.095 1.00 0.00 C ATOM 1144 C GLY A 72 3.267 -14.381 0.144 1.00 0.00 C ATOM 1145 O GLY A 72 3.719 -13.804 -0.848 1.00 0.00 O ATOM 0 H GLY A 72 3.311 -11.954 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.438 -14.087 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.304 -13.824 0.781 1.00 0.00 H new ATOM 1149 N ALA A 73 3.553 -15.646 0.459 1.00 0.00 N ATOM 1150 CA ALA A 73 4.396 -16.512 -0.371 1.00 0.00 C ATOM 1151 C ALA A 73 5.868 -16.112 -0.309 1.00 0.00 C ATOM 1152 O ALA A 73 6.661 -16.499 -1.171 1.00 0.00 O ATOM 1153 CB ALA A 73 3.907 -16.539 -1.814 1.00 0.00 C ATOM 0 H ALA A 73 3.204 -16.102 1.302 1.00 0.00 H new ATOM 0 HA ALA A 73 4.314 -17.519 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.552 -17.189 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.885 -16.917 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.934 -15.530 -2.226 1.00 0.00 H new ATOM 1159 N GLY A 74 6.233 -15.352 0.717 1.00 0.00 N ATOM 1160 CA GLY A 74 7.627 -14.992 0.915 1.00 0.00 C ATOM 1161 C GLY A 74 8.046 -13.768 0.126 1.00 0.00 C ATOM 1162 O GLY A 74 9.147 -13.247 0.312 1.00 0.00 O ATOM 0 H GLY A 74 5.590 -14.978 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.801 -14.810 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.257 -15.834 0.629 1.00 0.00 H new ATOM 1166 N LYS A 75 7.173 -13.306 -0.753 1.00 0.00 N ATOM 1167 CA LYS A 75 7.468 -12.139 -1.565 1.00 0.00 C ATOM 1168 C LYS A 75 7.015 -10.875 -0.845 1.00 0.00 C ATOM 1169 O LYS A 75 5.991 -10.871 -0.158 1.00 0.00 O ATOM 1170 CB LYS A 75 6.798 -12.255 -2.941 1.00 0.00 C ATOM 1171 CG LYS A 75 5.284 -12.336 -2.880 1.00 0.00 C ATOM 1172 CD LYS A 75 4.664 -12.426 -4.264 1.00 0.00 C ATOM 1173 CE LYS A 75 3.144 -12.363 -4.199 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.568 -13.489 -3.413 1.00 0.00 N ATOM 0 H LYS A 75 6.256 -13.720 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 75 8.545 -12.082 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.082 -11.395 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.180 -13.142 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.991 -13.207 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.894 -11.458 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.037 -11.611 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.971 -13.357 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.840 -11.417 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.738 -12.383 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.530 -13.434 -3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.877 -14.393 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.894 -13.427 -2.427 1.00 0.00 H new ATOM 1188 N TYR A 76 7.784 -9.810 -0.990 1.00 0.00 N ATOM 1189 CA TYR A 76 7.494 -8.567 -0.297 1.00 0.00 C ATOM 1190 C TYR A 76 7.114 -7.482 -1.288 1.00 0.00 C ATOM 1191 O TYR A 76 7.243 -7.663 -2.503 1.00 0.00 O ATOM 1192 CB TYR A 76 8.708 -8.106 0.508 1.00 0.00 C ATOM 1193 CG TYR A 76 9.314 -9.178 1.378 1.00 0.00 C ATOM 1194 CD1 TYR A 76 8.764 -9.493 2.612 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.442 -9.873 0.965 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.323 -10.471 3.408 1.00 0.00 C ATOM 1197 CE2 TYR A 76 11.005 -10.851 1.754 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.443 -11.147 2.974 1.00 0.00 C ATOM 1199 OH TYR A 76 10.999 -12.129 3.762 1.00 0.00 O ATOM 0 H TYR A 76 8.614 -9.781 -1.582 1.00 0.00 H new ATOM 0 HA TYR A 76 6.659 -8.747 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.469 -7.739 -0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.415 -7.265 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.886 -8.965 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.886 -9.643 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.885 -10.706 4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.883 -11.383 1.417 1.00 0.00 H new ATOM 0 HH TYR A 76 11.782 -12.507 3.310 1.00 0.00 H new ATOM 1209 N LEU A 77 6.650 -6.360 -0.765 1.00 0.00 N ATOM 1210 CA LEU A 77 6.320 -5.212 -1.589 1.00 0.00 C ATOM 1211 C LEU A 77 6.876 -3.946 -0.949 1.00 0.00 C ATOM 1212 O LEU A 77 6.422 -3.527 0.116 1.00 0.00 O ATOM 1213 CB LEU A 77 4.800 -5.105 -1.754 1.00 0.00 C ATOM 1214 CG LEU A 77 4.319 -4.043 -2.743 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.791 -4.372 -4.154 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.800 -3.935 -2.698 1.00 0.00 C ATOM 0 H LEU A 77 6.493 -6.220 0.233 1.00 0.00 H new ATOM 0 HA LEU A 77 6.768 -5.335 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.418 -6.074 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.360 -4.895 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 77 4.746 -3.082 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.439 -3.605 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.880 -4.406 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.392 -5.341 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.468 -3.176 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.359 -4.896 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.485 -3.656 -1.693 1.00 0.00 H new ATOM 1228 N GLN A 78 7.870 -3.352 -1.594 1.00 0.00 N ATOM 1229 CA GLN A 78 8.481 -2.125 -1.096 1.00 0.00 C ATOM 1230 C GLN A 78 8.190 -0.976 -2.045 1.00 0.00 C ATOM 1231 O GLN A 78 8.170 -1.163 -3.256 1.00 0.00 O ATOM 1232 CB GLN A 78 10.004 -2.272 -0.948 1.00 0.00 C ATOM 1233 CG GLN A 78 10.459 -3.194 0.176 1.00 0.00 C ATOM 1234 CD GLN A 78 10.340 -4.670 -0.159 1.00 0.00 C ATOM 1235 OE1 GLN A 78 10.136 -5.495 0.724 1.00 0.00 O ATOM 1236 NE2 GLN A 78 10.486 -5.015 -1.433 1.00 0.00 N ATOM 0 H GLN A 78 8.272 -3.699 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 78 8.052 -1.922 -0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.410 -2.644 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.434 -1.284 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.497 -2.969 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.868 -2.984 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.655 -4.299 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.429 -5.996 -1.705 1.00 0.00 H new ATOM 1245 N TRP A 79 7.969 0.209 -1.504 1.00 0.00 N ATOM 1246 CA TRP A 79 7.758 1.385 -2.332 1.00 0.00 C ATOM 1247 C TRP A 79 8.317 2.617 -1.639 1.00 0.00 C ATOM 1248 O TRP A 79 8.193 2.767 -0.425 1.00 0.00 O ATOM 1249 CB TRP A 79 6.265 1.578 -2.641 1.00 0.00 C ATOM 1250 CG TRP A 79 5.430 1.894 -1.432 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.056 3.135 -0.994 1.00 0.00 C ATOM 1252 CD2 TRP A 79 4.871 0.958 -0.504 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.307 3.024 0.152 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.178 1.700 0.469 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.891 -0.435 -0.402 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.512 1.097 1.528 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.228 -1.033 0.652 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.546 -0.268 1.603 1.00 0.00 C ATOM 0 H TRP A 79 7.931 0.383 -0.500 1.00 0.00 H new ATOM 0 HA TRP A 79 8.283 1.239 -3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.155 2.383 -3.367 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.881 0.672 -3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.312 4.066 -1.478 1.00 0.00 H new ATOM 0 HE1 TRP A 79 3.912 3.802 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.415 -1.033 -1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.986 1.685 2.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.237 -2.109 0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.035 -0.766 2.414 1.00 0.00 H new ATOM 1269 N TYR A 80 8.980 3.467 -2.402 1.00 0.00 N ATOM 1270 CA TYR A 80 9.436 4.744 -1.885 1.00 0.00 C ATOM 1271 C TYR A 80 9.291 5.822 -2.950 1.00 0.00 C ATOM 1272 O TYR A 80 9.573 5.591 -4.129 1.00 0.00 O ATOM 1273 CB TYR A 80 10.876 4.659 -1.349 1.00 0.00 C ATOM 1274 CG TYR A 80 11.903 4.079 -2.303 1.00 0.00 C ATOM 1275 CD1 TYR A 80 11.946 2.715 -2.574 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.851 4.894 -2.909 1.00 0.00 C ATOM 1277 CE1 TYR A 80 12.903 2.183 -3.418 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.808 4.370 -3.758 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.830 3.015 -4.009 1.00 0.00 C ATOM 1280 OH TYR A 80 14.790 2.489 -4.843 1.00 0.00 O ATOM 0 H TYR A 80 9.214 3.297 -3.380 1.00 0.00 H new ATOM 0 HA TYR A 80 8.806 5.016 -1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.197 5.661 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.870 4.056 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.219 2.060 -2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.840 5.956 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.924 1.121 -3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.535 5.020 -4.222 1.00 0.00 H new ATOM 0 HH TYR A 80 15.364 3.210 -5.177 1.00 0.00 H new ATOM 1290 N ALA A 81 8.824 6.989 -2.534 1.00 0.00 N ATOM 1291 CA ALA A 81 8.561 8.072 -3.461 1.00 0.00 C ATOM 1292 C ALA A 81 9.846 8.797 -3.822 1.00 0.00 C ATOM 1293 O ALA A 81 10.467 9.445 -2.980 1.00 0.00 O ATOM 1294 CB ALA A 81 7.549 9.040 -2.867 1.00 0.00 C ATOM 0 H ALA A 81 8.620 7.208 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 81 8.143 7.649 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.361 9.848 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.617 8.512 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.943 9.454 -1.939 1.00 0.00 H new ATOM 1300 N VAL A 82 10.241 8.685 -5.076 1.00 0.00 N ATOM 1301 CA VAL A 82 11.450 9.331 -5.549 1.00 0.00 C ATOM 1302 C VAL A 82 11.127 10.624 -6.284 1.00 0.00 C ATOM 1303 O VAL A 82 10.622 10.610 -7.403 1.00 0.00 O ATOM 1304 CB VAL A 82 12.281 8.402 -6.467 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.010 7.354 -5.641 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.401 7.728 -7.513 1.00 0.00 C ATOM 0 H VAL A 82 9.741 8.151 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 82 12.049 9.561 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 82 13.015 9.017 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.590 6.709 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.679 7.847 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.284 6.754 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.013 7.082 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.637 7.131 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.923 8.488 -8.130 1.00 0.00 H new