USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 Single : A 9 GLN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.48! K(o=-1.5!,f=0.88) USER MOD Single : A 25 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc=-0.00263 (180deg=-0.0716) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.4 (180deg=-0.0737) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -1.87! (180deg=-3.25!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.86) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.17) USER MOD Single : A 54 SER OG : rot 9:sc= 0.757 USER MOD Single : A 58 GLN : amide:sc= -0.629 K(o=-0.63,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= -0.698 K(o=-0.7,f=-2) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -63:sc= 1.39 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.18) USER MOD Single : A 76 TYR OH : rot 2:sc= 0.129 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.501 14.659 -9.338 1.00 0.00 N ATOM 135 CA GLN A 9 0.681 13.243 -9.055 1.00 0.00 C ATOM 136 C GLN A 9 2.006 12.789 -9.650 1.00 0.00 C ATOM 137 O GLN A 9 2.162 12.759 -10.874 1.00 0.00 O ATOM 138 CB GLN A 9 -0.459 12.421 -9.661 1.00 0.00 C ATOM 139 CG GLN A 9 -1.794 12.584 -8.956 1.00 0.00 C ATOM 140 CD GLN A 9 -2.950 12.018 -9.764 1.00 0.00 C ATOM 141 OE1 GLN A 9 -4.085 12.483 -9.657 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.669 11.020 -10.593 1.00 0.00 N ATOM 0 HA GLN A 9 0.679 13.092 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.578 12.703 -10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.180 11.368 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.753 12.086 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.973 13.642 -8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.716 10.661 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.406 10.612 -11.169 1.00 0.00 H new ATOM 151 N ASP A 10 2.959 12.459 -8.796 1.00 0.00 N ATOM 152 CA ASP A 10 4.297 12.105 -9.252 1.00 0.00 C ATOM 153 C ASP A 10 4.387 10.597 -9.508 1.00 0.00 C ATOM 154 O ASP A 10 3.362 9.941 -9.716 1.00 0.00 O ATOM 155 CB ASP A 10 5.333 12.557 -8.219 1.00 0.00 C ATOM 156 CG ASP A 10 6.724 12.687 -8.807 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.040 13.753 -9.374 1.00 0.00 O ATOM 158 OD2 ASP A 10 7.501 11.718 -8.718 1.00 0.00 O ATOM 0 H ASP A 10 2.834 12.428 -7.784 1.00 0.00 H new ATOM 0 HA ASP A 10 4.506 12.616 -10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.028 13.516 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.356 11.843 -7.396 1.00 0.00 H new ATOM 163 N ASN A 11 5.595 10.048 -9.489 1.00 0.00 N ATOM 164 CA ASN A 11 5.790 8.646 -9.829 1.00 0.00 C ATOM 165 C ASN A 11 6.566 7.912 -8.742 1.00 0.00 C ATOM 166 O ASN A 11 7.515 8.438 -8.157 1.00 0.00 O ATOM 167 CB ASN A 11 6.486 8.484 -11.195 1.00 0.00 C ATOM 168 CG ASN A 11 7.964 8.874 -11.223 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.764 8.227 -11.900 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.342 9.938 -10.532 1.00 0.00 N ATOM 0 H ASN A 11 6.449 10.549 -9.243 1.00 0.00 H new ATOM 0 HA ASN A 11 4.800 8.195 -9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.395 7.445 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.953 9.088 -11.930 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.316 10.240 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.659 10.456 -9.979 1.00 0.00 H new ATOM 177 N PHE A 12 6.138 6.694 -8.466 1.00 0.00 N ATOM 178 CA PHE A 12 6.782 5.856 -7.470 1.00 0.00 C ATOM 179 C PHE A 12 7.261 4.569 -8.121 1.00 0.00 C ATOM 180 O PHE A 12 6.558 3.992 -8.950 1.00 0.00 O ATOM 181 CB PHE A 12 5.808 5.536 -6.327 1.00 0.00 C ATOM 182 CG PHE A 12 5.146 6.752 -5.746 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.786 7.513 -4.785 1.00 0.00 C ATOM 184 CD2 PHE A 12 3.884 7.133 -6.167 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.182 8.634 -4.252 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.275 8.254 -5.639 1.00 0.00 C ATOM 187 CZ PHE A 12 3.924 9.005 -4.680 1.00 0.00 C ATOM 0 H PHE A 12 5.337 6.258 -8.924 1.00 0.00 H new ATOM 0 HA PHE A 12 7.636 6.392 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.040 4.855 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.347 5.013 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.771 7.227 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.371 6.548 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.693 9.219 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.291 8.543 -5.976 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.448 9.881 -4.265 1.00 0.00 H new ATOM 197 N VAL A 13 8.459 4.129 -7.768 1.00 0.00 N ATOM 198 CA VAL A 13 9.005 2.905 -8.336 1.00 0.00 C ATOM 199 C VAL A 13 8.703 1.729 -7.420 1.00 0.00 C ATOM 200 O VAL A 13 9.115 1.716 -6.259 1.00 0.00 O ATOM 201 CB VAL A 13 10.530 2.998 -8.560 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.039 1.772 -9.307 1.00 0.00 C ATOM 203 CG2 VAL A 13 10.885 4.271 -9.314 1.00 0.00 C ATOM 0 H VAL A 13 9.068 4.596 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 13 8.531 2.759 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 13 11.017 3.031 -7.585 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.116 1.857 -9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.822 0.876 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.544 1.705 -10.276 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.964 4.318 -9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.386 4.271 -10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.560 5.138 -8.738 1.00 0.00 H new ATOM 213 N VAL A 14 7.970 0.755 -7.940 1.00 0.00 N ATOM 214 CA VAL A 14 7.574 -0.402 -7.154 1.00 0.00 C ATOM 215 C VAL A 14 8.384 -1.635 -7.537 1.00 0.00 C ATOM 216 O VAL A 14 8.440 -2.025 -8.706 1.00 0.00 O ATOM 217 CB VAL A 14 6.069 -0.705 -7.317 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.681 -1.979 -6.582 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.234 0.465 -6.821 1.00 0.00 C ATOM 0 H VAL A 14 7.638 0.744 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 14 7.773 -0.159 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 14 5.871 -0.854 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.615 -2.166 -6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.250 -2.818 -6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.900 -1.867 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.176 0.234 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.447 0.643 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.480 1.357 -7.397 1.00 0.00 H new ATOM 229 N LEU A 15 9.019 -2.234 -6.543 1.00 0.00 N ATOM 230 CA LEU A 15 9.772 -3.455 -6.742 1.00 0.00 C ATOM 231 C LEU A 15 9.050 -4.613 -6.067 1.00 0.00 C ATOM 232 O LEU A 15 8.908 -4.641 -4.841 1.00 0.00 O ATOM 233 CB LEU A 15 11.186 -3.312 -6.173 1.00 0.00 C ATOM 234 CG LEU A 15 11.988 -2.116 -6.699 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.350 -2.048 -6.026 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.149 -2.197 -8.210 1.00 0.00 C ATOM 0 H LEU A 15 9.026 -1.888 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 15 9.851 -3.652 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.117 -3.233 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.741 -4.224 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 15 11.437 -1.207 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.904 -1.193 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.219 -1.939 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.904 -2.963 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.721 -1.338 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.675 -3.115 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.166 -2.196 -8.681 1.00 0.00 H new ATOM 248 N GLU A 16 8.573 -5.551 -6.870 1.00 0.00 N ATOM 249 CA GLU A 16 7.831 -6.685 -6.351 1.00 0.00 C ATOM 250 C GLU A 16 8.755 -7.895 -6.248 1.00 0.00 C ATOM 251 O GLU A 16 9.895 -7.864 -6.722 1.00 0.00 O ATOM 252 CB GLU A 16 6.621 -6.976 -7.255 1.00 0.00 C ATOM 253 CG GLU A 16 5.445 -7.626 -6.536 1.00 0.00 C ATOM 254 CD GLU A 16 5.276 -9.093 -6.875 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.594 -9.406 -7.869 1.00 0.00 O ATOM 256 OE2 GLU A 16 5.816 -9.944 -6.142 1.00 0.00 O ATOM 0 H GLU A 16 8.687 -5.548 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 16 7.456 -6.457 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.285 -6.042 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.939 -7.627 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.583 -7.522 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.530 -7.092 -6.793 1.00 0.00 H new ATOM 354 N PHE A 23 8.090 2.412 -12.699 1.00 0.00 N ATOM 355 CA PHE A 23 7.492 3.491 -11.929 1.00 0.00 C ATOM 356 C PHE A 23 6.050 3.709 -12.377 1.00 0.00 C ATOM 357 O PHE A 23 5.714 3.486 -13.545 1.00 0.00 O ATOM 358 CB PHE A 23 8.301 4.786 -12.088 1.00 0.00 C ATOM 359 CG PHE A 23 8.441 5.261 -13.514 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.495 4.828 -14.304 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.520 6.143 -14.062 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.628 5.262 -15.611 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.649 6.580 -15.367 1.00 0.00 C ATOM 364 CZ PHE A 23 8.703 6.139 -16.143 1.00 0.00 C ATOM 0 HA PHE A 23 7.500 3.213 -10.875 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.826 5.572 -11.501 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.296 4.633 -11.669 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.222 4.143 -13.894 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.693 6.492 -13.462 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.454 4.916 -16.214 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.925 7.267 -15.780 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.804 6.479 -17.163 1.00 0.00 H new ATOM 374 N LEU A 24 5.205 4.127 -11.452 1.00 0.00 N ATOM 375 CA LEU A 24 3.800 4.365 -11.743 1.00 0.00 C ATOM 376 C LEU A 24 3.275 5.527 -10.913 1.00 0.00 C ATOM 377 O LEU A 24 3.948 5.997 -9.992 1.00 0.00 O ATOM 378 CB LEU A 24 2.964 3.102 -11.483 1.00 0.00 C ATOM 379 CG LEU A 24 3.091 2.485 -10.084 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.890 1.611 -9.788 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.361 1.656 -9.967 1.00 0.00 C ATOM 0 H LEU A 24 5.469 4.310 -10.484 1.00 0.00 H new ATOM 0 HA LEU A 24 3.711 4.621 -12.799 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.915 3.343 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.245 2.347 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 24 3.137 3.299 -9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.991 1.179 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.982 2.213 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.831 0.812 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.427 1.230 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.340 0.852 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.228 2.291 -10.149 1.00 0.00 H new ATOM 393 N THR A 25 2.076 5.985 -11.236 1.00 0.00 N ATOM 394 CA THR A 25 1.496 7.147 -10.582 1.00 0.00 C ATOM 395 C THR A 25 0.832 6.759 -9.258 1.00 0.00 C ATOM 396 O THR A 25 0.546 5.584 -9.023 1.00 0.00 O ATOM 397 CB THR A 25 0.456 7.814 -11.499 1.00 0.00 C ATOM 398 OG1 THR A 25 0.860 7.679 -12.869 1.00 0.00 O ATOM 399 CG2 THR A 25 0.302 9.290 -11.163 1.00 0.00 C ATOM 0 H THR A 25 1.482 5.566 -11.952 1.00 0.00 H new ATOM 0 HA THR A 25 2.303 7.850 -10.376 1.00 0.00 H new ATOM 0 HB THR A 25 -0.503 7.319 -11.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.526 6.830 -13.227 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.439 9.739 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.025 9.395 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.259 9.795 -11.294 1.00 0.00 H new ATOM 407 N THR A 26 0.589 7.757 -8.409 1.00 0.00 N ATOM 408 CA THR A 26 -0.038 7.557 -7.103 1.00 0.00 C ATOM 409 C THR A 26 -1.301 6.695 -7.196 1.00 0.00 C ATOM 410 O THR A 26 -1.476 5.755 -6.424 1.00 0.00 O ATOM 411 CB THR A 26 -0.409 8.914 -6.476 1.00 0.00 C ATOM 412 OG1 THR A 26 0.689 9.825 -6.599 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.775 8.757 -5.008 1.00 0.00 C ATOM 0 H THR A 26 0.822 8.730 -8.608 1.00 0.00 H new ATOM 0 HA THR A 26 0.689 7.037 -6.479 1.00 0.00 H new ATOM 0 HB THR A 26 -1.275 9.307 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.446 10.686 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.032 9.731 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.629 8.086 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.073 8.342 -4.464 1.00 0.00 H new ATOM 421 N ILE A 27 -2.169 7.013 -8.157 1.00 0.00 N ATOM 422 CA ILE A 27 -3.430 6.292 -8.325 1.00 0.00 C ATOM 423 C ILE A 27 -3.176 4.813 -8.623 1.00 0.00 C ATOM 424 O ILE A 27 -3.843 3.926 -8.085 1.00 0.00 O ATOM 425 CB ILE A 27 -4.283 6.900 -9.461 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.569 8.381 -9.184 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.584 6.126 -9.635 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.305 8.634 -7.884 1.00 0.00 C ATOM 0 H ILE A 27 -2.022 7.765 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.978 6.384 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.717 6.825 -10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.625 8.926 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.157 8.787 -10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.168 6.572 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.360 5.088 -9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.156 6.163 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.469 9.705 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.266 8.119 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.710 8.260 -7.050 1.00 0.00 H new ATOM 440 N GLU A 28 -2.188 4.556 -9.469 1.00 0.00 N ATOM 441 CA GLU A 28 -1.839 3.195 -9.850 1.00 0.00 C ATOM 442 C GLU A 28 -1.250 2.439 -8.658 1.00 0.00 C ATOM 443 O GLU A 28 -1.501 1.242 -8.475 1.00 0.00 O ATOM 444 CB GLU A 28 -0.847 3.223 -11.017 1.00 0.00 C ATOM 445 CG GLU A 28 -1.362 3.980 -12.229 1.00 0.00 C ATOM 446 CD GLU A 28 -0.310 4.134 -13.311 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.453 5.122 -13.267 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.249 3.277 -14.215 1.00 0.00 O ATOM 0 H GLU A 28 -1.612 5.276 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.741 2.673 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.084 3.680 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.613 2.199 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.226 3.457 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.705 4.967 -11.918 1.00 0.00 H new ATOM 455 N LEU A 29 -0.473 3.148 -7.847 1.00 0.00 N ATOM 456 CA LEU A 29 0.118 2.570 -6.644 1.00 0.00 C ATOM 457 C LEU A 29 -0.971 2.236 -5.625 1.00 0.00 C ATOM 458 O LEU A 29 -0.876 1.238 -4.908 1.00 0.00 O ATOM 459 CB LEU A 29 1.148 3.531 -6.040 1.00 0.00 C ATOM 460 CG LEU A 29 1.842 3.039 -4.765 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.521 1.696 -4.993 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.857 4.065 -4.292 1.00 0.00 C ATOM 0 H LEU A 29 -0.236 4.128 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 29 0.629 1.647 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.910 3.737 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.652 4.477 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 29 1.082 2.908 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.005 1.372 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.776 0.958 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.269 1.795 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.344 3.704 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.606 4.221 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.351 5.007 -4.082 1.00 0.00 H new ATOM 474 N LEU A 30 -2.004 3.075 -5.580 1.00 0.00 N ATOM 475 CA LEU A 30 -3.176 2.814 -4.752 1.00 0.00 C ATOM 476 C LEU A 30 -3.734 1.429 -5.032 1.00 0.00 C ATOM 477 O LEU A 30 -3.883 0.616 -4.121 1.00 0.00 O ATOM 478 CB LEU A 30 -4.260 3.862 -5.011 1.00 0.00 C ATOM 479 CG LEU A 30 -4.111 5.166 -4.234 1.00 0.00 C ATOM 480 CD1 LEU A 30 -5.094 6.209 -4.746 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.335 4.910 -2.754 1.00 0.00 C ATOM 0 H LEU A 30 -2.051 3.945 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.867 2.868 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.270 4.093 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.229 3.424 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.101 5.549 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.973 7.132 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.902 6.403 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.112 5.840 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.228 5.844 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.338 4.512 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.600 4.190 -2.394 1.00 0.00 H new ATOM 493 N GLU A 31 -4.021 1.164 -6.299 1.00 0.00 N ATOM 494 CA GLU A 31 -4.592 -0.115 -6.708 1.00 0.00 C ATOM 495 C GLU A 31 -3.696 -1.291 -6.320 1.00 0.00 C ATOM 496 O GLU A 31 -4.195 -2.344 -5.914 1.00 0.00 O ATOM 497 CB GLU A 31 -4.861 -0.115 -8.211 1.00 0.00 C ATOM 498 CG GLU A 31 -5.977 0.834 -8.611 1.00 0.00 C ATOM 499 CD GLU A 31 -7.279 0.506 -7.907 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.462 0.933 -6.751 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.124 -0.191 -8.500 1.00 0.00 O ATOM 0 H GLU A 31 -3.868 1.820 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.536 -0.241 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.948 0.162 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.118 -1.125 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.685 1.857 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.126 0.785 -9.690 1.00 0.00 H new ATOM 508 N LYS A 32 -2.380 -1.111 -6.428 1.00 0.00 N ATOM 509 CA LYS A 32 -1.440 -2.146 -6.001 1.00 0.00 C ATOM 510 C LYS A 32 -1.586 -2.419 -4.509 1.00 0.00 C ATOM 511 O LYS A 32 -1.872 -3.544 -4.098 1.00 0.00 O ATOM 512 CB LYS A 32 0.009 -1.746 -6.290 1.00 0.00 C ATOM 513 CG LYS A 32 0.421 -1.850 -7.750 1.00 0.00 C ATOM 514 CD LYS A 32 1.916 -1.610 -7.904 1.00 0.00 C ATOM 515 CE LYS A 32 2.388 -1.759 -9.344 1.00 0.00 C ATOM 516 NZ LYS A 32 2.213 -3.140 -9.871 1.00 0.00 N ATOM 0 H LYS A 32 -1.945 -0.268 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.677 -3.046 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.161 -0.719 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.670 -2.376 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.164 -2.836 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.133 -1.121 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.158 -0.609 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.460 -2.313 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.837 -1.062 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.440 -1.482 -9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.687 -3.222 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.631 -3.821 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.199 -3.343 -9.983 1.00 0.00 H new ATOM 530 N LEU A 33 -1.407 -1.371 -3.708 1.00 0.00 N ATOM 531 CA LEU A 33 -1.427 -1.499 -2.255 1.00 0.00 C ATOM 532 C LEU A 33 -2.768 -2.008 -1.752 1.00 0.00 C ATOM 533 O LEU A 33 -2.810 -2.869 -0.884 1.00 0.00 O ATOM 534 CB LEU A 33 -1.096 -0.162 -1.588 1.00 0.00 C ATOM 535 CG LEU A 33 0.359 0.288 -1.718 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.542 1.671 -1.113 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.290 -0.709 -1.045 1.00 0.00 C ATOM 0 H LEU A 33 -1.246 -0.421 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.665 -2.231 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.737 0.608 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.345 -0.231 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 33 0.610 0.334 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.583 1.977 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.098 2.384 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.272 1.645 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.321 -0.371 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.038 -0.786 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.179 -1.686 -1.516 1.00 0.00 H new ATOM 549 N LYS A 34 -3.854 -1.489 -2.309 1.00 0.00 N ATOM 550 CA LYS A 34 -5.201 -1.858 -1.877 1.00 0.00 C ATOM 551 C LYS A 34 -5.423 -3.370 -1.919 1.00 0.00 C ATOM 552 O LYS A 34 -5.885 -3.960 -0.943 1.00 0.00 O ATOM 553 CB LYS A 34 -6.241 -1.143 -2.740 1.00 0.00 C ATOM 554 CG LYS A 34 -6.419 0.322 -2.376 1.00 0.00 C ATOM 555 CD LYS A 34 -7.108 1.125 -3.475 1.00 0.00 C ATOM 556 CE LYS A 34 -8.513 0.621 -3.781 1.00 0.00 C ATOM 557 NZ LYS A 34 -8.519 -0.513 -4.749 1.00 0.00 N ATOM 0 H LYS A 34 -3.830 -0.806 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.313 -1.544 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.947 -1.217 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.199 -1.654 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.003 0.395 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.443 0.761 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.159 2.172 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.506 1.082 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.991 0.305 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.109 1.440 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.471 -0.619 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.837 -0.322 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.253 -1.390 -4.258 1.00 0.00 H new ATOM 571 N GLY A 35 -5.079 -3.993 -3.038 1.00 0.00 N ATOM 572 CA GLY A 35 -5.268 -5.427 -3.172 1.00 0.00 C ATOM 573 C GLY A 35 -4.366 -6.219 -2.244 1.00 0.00 C ATOM 574 O GLY A 35 -4.820 -7.111 -1.514 1.00 0.00 O ATOM 0 H GLY A 35 -4.674 -3.534 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.308 -5.675 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.072 -5.722 -4.203 1.00 0.00 H new ATOM 578 N GLU A 36 -3.084 -5.883 -2.257 1.00 0.00 N ATOM 579 CA GLU A 36 -2.112 -6.570 -1.425 1.00 0.00 C ATOM 580 C GLU A 36 -2.473 -6.425 0.050 1.00 0.00 C ATOM 581 O GLU A 36 -2.445 -7.400 0.798 1.00 0.00 O ATOM 582 CB GLU A 36 -0.706 -6.024 -1.677 1.00 0.00 C ATOM 583 CG GLU A 36 -0.252 -6.137 -3.124 1.00 0.00 C ATOM 584 CD GLU A 36 -0.454 -7.526 -3.692 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.159 -8.486 -3.174 1.00 0.00 O ATOM 586 OE2 GLU A 36 -1.248 -7.671 -4.644 1.00 0.00 O ATOM 0 H GLU A 36 -2.695 -5.138 -2.835 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.127 -7.628 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.674 -4.977 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.000 -6.559 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.802 -5.417 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.803 -5.871 -3.192 1.00 0.00 H new ATOM 593 N LEU A 37 -2.844 -5.214 0.439 1.00 0.00 N ATOM 594 CA LEU A 37 -3.183 -4.899 1.822 1.00 0.00 C ATOM 595 C LEU A 37 -4.425 -5.653 2.289 1.00 0.00 C ATOM 596 O LEU A 37 -4.443 -6.188 3.395 1.00 0.00 O ATOM 597 CB LEU A 37 -3.394 -3.388 1.965 1.00 0.00 C ATOM 598 CG LEU A 37 -3.870 -2.895 3.334 1.00 0.00 C ATOM 599 CD1 LEU A 37 -2.854 -3.218 4.416 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.133 -1.398 3.285 1.00 0.00 C ATOM 0 H LEU A 37 -2.919 -4.419 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.354 -5.217 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.455 -2.888 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.120 -3.072 1.216 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.797 -3.412 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.219 -2.856 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.707 -4.297 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.906 -2.733 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.471 -1.056 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.215 -0.876 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.902 -1.188 2.541 1.00 0.00 H new ATOM 612 N GLU A 38 -5.458 -5.711 1.448 1.00 0.00 N ATOM 613 CA GLU A 38 -6.713 -6.334 1.854 1.00 0.00 C ATOM 614 C GLU A 38 -6.567 -7.847 1.999 1.00 0.00 C ATOM 615 O GLU A 38 -7.381 -8.487 2.667 1.00 0.00 O ATOM 616 CB GLU A 38 -7.855 -5.997 0.887 1.00 0.00 C ATOM 617 CG GLU A 38 -7.702 -6.598 -0.498 1.00 0.00 C ATOM 618 CD GLU A 38 -8.955 -6.440 -1.331 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.917 -7.199 -1.105 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.986 -5.560 -2.217 1.00 0.00 O ATOM 0 H GLU A 38 -5.450 -5.340 0.498 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.967 -5.921 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.794 -6.344 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.928 -4.913 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.866 -6.121 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.459 -7.657 -0.408 1.00 0.00 H new ATOM 627 N LYS A 39 -5.541 -8.428 1.374 1.00 0.00 N ATOM 628 CA LYS A 39 -5.248 -9.845 1.596 1.00 0.00 C ATOM 629 C LYS A 39 -4.809 -10.074 3.038 1.00 0.00 C ATOM 630 O LYS A 39 -5.061 -11.135 3.614 1.00 0.00 O ATOM 631 CB LYS A 39 -4.156 -10.361 0.661 1.00 0.00 C ATOM 632 CG LYS A 39 -4.530 -10.355 -0.811 1.00 0.00 C ATOM 633 CD LYS A 39 -3.682 -11.346 -1.602 1.00 0.00 C ATOM 634 CE LYS A 39 -2.192 -11.160 -1.345 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.728 -9.807 -1.739 1.00 0.00 N ATOM 0 H LYS A 39 -4.913 -7.953 0.726 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.166 -10.394 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.262 -9.753 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.897 -11.379 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.585 -10.606 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.397 -9.353 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.971 -12.363 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.883 -11.226 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.983 -11.322 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.631 -11.912 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.894 -9.892 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.488 -9.315 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.477 -9.265 -0.888 1.00 0.00 H new ATOM 649 N ILE A 40 -4.143 -9.082 3.611 1.00 0.00 N ATOM 650 CA ILE A 40 -3.712 -9.146 5.001 1.00 0.00 C ATOM 651 C ILE A 40 -4.917 -8.922 5.913 1.00 0.00 C ATOM 652 O ILE A 40 -5.784 -8.102 5.612 1.00 0.00 O ATOM 653 CB ILE A 40 -2.594 -8.107 5.314 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.233 -8.586 4.790 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.498 -7.827 6.808 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.113 -8.609 3.283 1.00 0.00 C ATOM 0 H ILE A 40 -3.888 -8.218 3.132 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.289 -10.134 5.181 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.864 -7.182 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.454 -7.939 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.044 -9.589 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.709 -7.098 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.448 -7.430 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.268 -8.752 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.120 -8.960 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.865 -9.280 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.267 -7.604 2.890 1.00 0.00 H new ATOM 668 N SER A 41 -4.982 -9.676 7.004 1.00 0.00 N ATOM 669 CA SER A 41 -6.096 -9.580 7.934 1.00 0.00 C ATOM 670 C SER A 41 -6.228 -8.156 8.474 1.00 0.00 C ATOM 671 O SER A 41 -5.240 -7.539 8.884 1.00 0.00 O ATOM 672 CB SER A 41 -5.910 -10.572 9.080 1.00 0.00 C ATOM 673 OG SER A 41 -7.091 -10.690 9.851 1.00 0.00 O ATOM 0 H SER A 41 -4.273 -10.362 7.265 1.00 0.00 H new ATOM 0 HA SER A 41 -7.015 -9.827 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.635 -11.548 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.088 -10.246 9.717 1.00 0.00 H new ATOM 0 HG SER A 41 -6.945 -11.332 10.577 1.00 0.00 H new ATOM 679 N PHE A 42 -7.456 -7.646 8.478 1.00 0.00 N ATOM 680 CA PHE A 42 -7.722 -6.270 8.886 1.00 0.00 C ATOM 681 C PHE A 42 -7.449 -6.054 10.372 1.00 0.00 C ATOM 682 O PHE A 42 -7.421 -4.922 10.844 1.00 0.00 O ATOM 683 CB PHE A 42 -9.168 -5.883 8.565 1.00 0.00 C ATOM 684 CG PHE A 42 -9.481 -5.878 7.095 1.00 0.00 C ATOM 685 CD1 PHE A 42 -8.920 -4.926 6.258 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.338 -6.820 6.549 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.207 -4.914 4.906 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.628 -6.813 5.197 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.061 -5.859 4.375 1.00 0.00 C ATOM 0 H PHE A 42 -8.287 -8.168 8.202 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.042 -5.631 8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.841 -6.578 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.369 -4.893 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.250 -4.184 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.785 -7.568 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.763 -4.166 4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.297 -7.553 4.784 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.286 -5.853 3.319 1.00 0.00 H new ATOM 699 N SER A 43 -7.272 -7.137 11.111 1.00 0.00 N ATOM 700 CA SER A 43 -6.951 -7.040 12.528 1.00 0.00 C ATOM 701 C SER A 43 -5.442 -7.143 12.757 1.00 0.00 C ATOM 702 O SER A 43 -4.963 -7.011 13.882 1.00 0.00 O ATOM 703 CB SER A 43 -7.694 -8.124 13.308 1.00 0.00 C ATOM 704 OG SER A 43 -9.093 -8.054 13.061 1.00 0.00 O ATOM 0 H SER A 43 -7.344 -8.091 10.756 1.00 0.00 H new ATOM 0 HA SER A 43 -7.275 -6.064 12.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.318 -9.106 13.022 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.502 -8.007 14.375 1.00 0.00 H new ATOM 0 HG SER A 43 -9.550 -8.757 13.568 1.00 0.00 H new ATOM 710 N ASP A 44 -4.695 -7.376 11.681 1.00 0.00 N ATOM 711 CA ASP A 44 -3.240 -7.489 11.764 1.00 0.00 C ATOM 712 C ASP A 44 -2.566 -6.205 11.313 1.00 0.00 C ATOM 713 O ASP A 44 -1.597 -5.751 11.927 1.00 0.00 O ATOM 714 CB ASP A 44 -2.721 -8.658 10.918 1.00 0.00 C ATOM 715 CG ASP A 44 -2.779 -9.980 11.646 1.00 0.00 C ATOM 716 OD1 ASP A 44 -3.824 -10.656 11.579 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.772 -10.355 12.285 1.00 0.00 O ATOM 0 H ASP A 44 -5.073 -7.490 10.740 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.994 -7.674 12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.309 -8.727 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.692 -8.457 10.622 1.00 0.00 H new ATOM 722 N LEU A 45 -3.084 -5.623 10.236 1.00 0.00 N ATOM 723 CA LEU A 45 -2.518 -4.401 9.673 1.00 0.00 C ATOM 724 C LEU A 45 -2.510 -3.265 10.703 1.00 0.00 C ATOM 725 O LEU A 45 -3.258 -3.310 11.684 1.00 0.00 O ATOM 726 CB LEU A 45 -3.274 -4.009 8.390 1.00 0.00 C ATOM 727 CG LEU A 45 -4.807 -4.035 8.461 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.343 -2.808 9.180 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.396 -4.135 7.063 1.00 0.00 C ATOM 0 H LEU A 45 -3.897 -5.979 9.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.478 -4.589 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.963 -3.004 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.958 -4.679 7.590 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.107 -4.914 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.431 -2.853 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.948 -2.780 10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.035 -1.909 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.484 -4.153 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.081 -3.274 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.046 -5.050 6.585 1.00 0.00 H new ATOM 741 N PRO A 46 -1.638 -2.249 10.502 1.00 0.00 N ATOM 742 CA PRO A 46 -1.451 -1.142 11.453 1.00 0.00 C ATOM 743 C PRO A 46 -2.760 -0.598 12.020 1.00 0.00 C ATOM 744 O PRO A 46 -3.747 -0.444 11.301 1.00 0.00 O ATOM 745 CB PRO A 46 -0.748 -0.083 10.608 1.00 0.00 C ATOM 746 CG PRO A 46 0.059 -0.871 9.640 1.00 0.00 C ATOM 747 CD PRO A 46 -0.757 -2.097 9.324 1.00 0.00 C ATOM 0 HA PRO A 46 -0.894 -1.459 12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.465 0.561 10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.118 0.562 11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.261 -0.293 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.024 -1.144 10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.333 -1.969 8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.124 -2.973 9.182 1.00 0.00 H new ATOM 755 N LEU A 47 -2.747 -0.301 13.316 1.00 0.00 N ATOM 756 CA LEU A 47 -3.932 0.177 14.021 1.00 0.00 C ATOM 757 C LEU A 47 -4.477 1.457 13.393 1.00 0.00 C ATOM 758 O LEU A 47 -5.684 1.694 13.406 1.00 0.00 O ATOM 759 CB LEU A 47 -3.604 0.409 15.496 1.00 0.00 C ATOM 760 CG LEU A 47 -4.781 0.852 16.369 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.860 -0.219 16.412 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.306 1.177 17.773 1.00 0.00 C ATOM 0 H LEU A 47 -1.918 -0.384 13.905 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.704 -0.588 13.940 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.194 -0.513 15.909 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.820 1.164 15.562 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.211 1.751 15.927 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.685 0.120 17.039 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.225 -0.408 15.403 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.444 -1.138 16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.155 1.490 18.381 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.849 0.292 18.216 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.573 1.982 17.732 1.00 0.00 H new ATOM 774 N GLU A 48 -3.592 2.272 12.837 1.00 0.00 N ATOM 775 CA GLU A 48 -4.013 3.480 12.138 1.00 0.00 C ATOM 776 C GLU A 48 -4.906 3.123 10.954 1.00 0.00 C ATOM 777 O GLU A 48 -5.914 3.783 10.693 1.00 0.00 O ATOM 778 CB GLU A 48 -2.799 4.273 11.653 1.00 0.00 C ATOM 779 CG GLU A 48 -1.860 4.691 12.770 1.00 0.00 C ATOM 780 CD GLU A 48 -2.552 5.503 13.845 1.00 0.00 C ATOM 781 OE1 GLU A 48 -3.120 4.903 14.779 1.00 0.00 O ATOM 782 OE2 GLU A 48 -2.522 6.750 13.769 1.00 0.00 O ATOM 0 H GLU A 48 -2.583 2.121 12.855 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.578 4.098 12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.247 3.671 10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.144 5.163 11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.419 3.801 13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.041 5.275 12.350 1.00 0.00 H new ATOM 789 N LEU A 49 -4.547 2.051 10.263 1.00 0.00 N ATOM 790 CA LEU A 49 -5.306 1.594 9.111 1.00 0.00 C ATOM 791 C LEU A 49 -6.625 0.983 9.567 1.00 0.00 C ATOM 792 O LEU A 49 -7.631 1.076 8.874 1.00 0.00 O ATOM 793 CB LEU A 49 -4.501 0.574 8.299 1.00 0.00 C ATOM 794 CG LEU A 49 -3.117 1.042 7.840 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.497 0.020 6.904 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.203 2.398 7.160 1.00 0.00 C ATOM 0 H LEU A 49 -3.731 1.480 10.482 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.513 2.451 8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.380 -0.328 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.082 0.296 7.419 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.482 1.141 8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.514 0.367 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.395 -0.934 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.136 -0.108 6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.208 2.710 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.856 2.328 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.607 3.131 7.859 1.00 0.00 H new ATOM 808 N GLN A 50 -6.611 0.374 10.750 1.00 0.00 N ATOM 809 CA GLN A 50 -7.825 -0.179 11.338 1.00 0.00 C ATOM 810 C GLN A 50 -8.824 0.931 11.660 1.00 0.00 C ATOM 811 O GLN A 50 -10.037 0.711 11.663 1.00 0.00 O ATOM 812 CB GLN A 50 -7.499 -0.982 12.600 1.00 0.00 C ATOM 813 CG GLN A 50 -6.772 -2.283 12.313 1.00 0.00 C ATOM 814 CD GLN A 50 -6.529 -3.111 13.558 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.382 -3.895 13.971 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.351 -2.980 14.141 1.00 0.00 N ATOM 0 H GLN A 50 -5.773 0.252 11.319 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.277 -0.851 10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.887 -0.371 13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.425 -1.201 13.132 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.354 -2.869 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.816 -2.062 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.669 -2.319 13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.124 -3.540 14.963 1.00 0.00 H new ATOM 825 N LYS A 51 -8.303 2.125 11.917 1.00 0.00 N ATOM 826 CA LYS A 51 -9.142 3.283 12.188 1.00 0.00 C ATOM 827 C LYS A 51 -9.733 3.811 10.888 1.00 0.00 C ATOM 828 O LYS A 51 -10.865 4.294 10.856 1.00 0.00 O ATOM 829 CB LYS A 51 -8.326 4.373 12.881 1.00 0.00 C ATOM 830 CG LYS A 51 -7.791 3.955 14.238 1.00 0.00 C ATOM 831 CD LYS A 51 -6.768 4.944 14.758 1.00 0.00 C ATOM 832 CE LYS A 51 -6.209 4.514 16.100 1.00 0.00 C ATOM 833 NZ LYS A 51 -5.076 5.375 16.524 1.00 0.00 N ATOM 0 H LYS A 51 -7.301 2.315 11.943 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.956 2.985 12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.490 4.654 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.947 5.260 13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.615 3.875 14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.338 2.966 14.163 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.955 5.040 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.227 5.928 14.853 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.997 4.553 16.852 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.876 3.478 16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.655 4.991 17.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.358 5.399 15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.421 6.340 16.703 1.00 0.00 H new ATOM 847 N LEU A 52 -8.959 3.701 9.819 1.00 0.00 N ATOM 848 CA LEU A 52 -9.407 4.122 8.501 1.00 0.00 C ATOM 849 C LEU A 52 -10.405 3.121 7.927 1.00 0.00 C ATOM 850 O LEU A 52 -10.045 2.003 7.560 1.00 0.00 O ATOM 851 CB LEU A 52 -8.208 4.278 7.566 1.00 0.00 C ATOM 852 CG LEU A 52 -7.198 5.341 7.995 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.964 5.291 7.110 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.832 6.723 7.952 1.00 0.00 C ATOM 0 H LEU A 52 -8.012 3.321 9.840 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.908 5.086 8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.696 3.319 7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.572 4.524 6.568 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.892 5.134 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.256 6.055 7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.499 4.309 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.251 5.474 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.100 7.469 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.165 6.939 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.687 6.752 8.628 1.00 0.00 H new ATOM 866 N ASP A 53 -11.662 3.538 7.856 1.00 0.00 N ATOM 867 CA ASP A 53 -12.744 2.674 7.394 1.00 0.00 C ATOM 868 C ASP A 53 -12.571 2.307 5.923 1.00 0.00 C ATOM 869 O ASP A 53 -13.010 1.245 5.479 1.00 0.00 O ATOM 870 CB ASP A 53 -14.096 3.366 7.589 1.00 0.00 C ATOM 871 CG ASP A 53 -14.290 4.557 6.665 1.00 0.00 C ATOM 872 OD1 ASP A 53 -14.776 4.361 5.528 1.00 0.00 O ATOM 873 OD2 ASP A 53 -13.957 5.688 7.068 1.00 0.00 O ATOM 0 H ASP A 53 -11.961 4.478 8.115 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.712 1.759 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.895 2.645 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.183 3.697 8.624 1.00 0.00 H new ATOM 878 N SER A 54 -11.932 3.191 5.173 1.00 0.00 N ATOM 879 CA SER A 54 -11.773 3.000 3.743 1.00 0.00 C ATOM 880 C SER A 54 -10.422 2.370 3.420 1.00 0.00 C ATOM 881 O SER A 54 -9.381 2.850 3.871 1.00 0.00 O ATOM 882 CB SER A 54 -11.908 4.343 3.029 1.00 0.00 C ATOM 883 OG SER A 54 -13.129 4.986 3.370 1.00 0.00 O ATOM 0 H SER A 54 -11.515 4.049 5.533 1.00 0.00 H new ATOM 0 HA SER A 54 -12.553 2.322 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.069 4.986 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.863 4.191 1.951 1.00 0.00 H new ATOM 0 HG SER A 54 -13.561 4.500 4.103 1.00 0.00 H new ATOM 889 N LEU A 55 -10.451 1.308 2.626 1.00 0.00 N ATOM 890 CA LEU A 55 -9.232 0.629 2.194 1.00 0.00 C ATOM 891 C LEU A 55 -8.338 1.551 1.345 1.00 0.00 C ATOM 892 O LEU A 55 -7.126 1.601 1.565 1.00 0.00 O ATOM 893 CB LEU A 55 -9.584 -0.644 1.418 1.00 0.00 C ATOM 894 CG LEU A 55 -8.392 -1.520 1.024 1.00 0.00 C ATOM 895 CD1 LEU A 55 -7.693 -2.071 2.261 1.00 0.00 C ATOM 896 CD2 LEU A 55 -8.848 -2.655 0.123 1.00 0.00 C ATOM 0 H LEU A 55 -11.311 0.894 2.265 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.667 0.357 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.268 -1.240 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.121 -0.361 0.513 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.679 -0.903 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.849 -2.690 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.334 -1.245 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.395 -2.673 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.990 -3.270 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.580 -3.266 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.301 -2.244 -0.779 1.00 0.00 H new ATOM 908 N PRO A 56 -8.903 2.293 0.354 1.00 0.00 N ATOM 909 CA PRO A 56 -8.136 3.273 -0.427 1.00 0.00 C ATOM 910 C PRO A 56 -7.454 4.314 0.460 1.00 0.00 C ATOM 911 O PRO A 56 -6.374 4.805 0.133 1.00 0.00 O ATOM 912 CB PRO A 56 -9.183 3.941 -1.334 1.00 0.00 C ATOM 913 CG PRO A 56 -10.504 3.550 -0.769 1.00 0.00 C ATOM 914 CD PRO A 56 -10.294 2.215 -0.118 1.00 0.00 C ATOM 0 HA PRO A 56 -7.330 2.795 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.064 5.024 -1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.082 3.604 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.853 4.287 -0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.261 3.488 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.991 2.053 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.436 1.395 -0.823 1.00 0.00 H new ATOM 922 N ALA A 57 -8.077 4.633 1.589 1.00 0.00 N ATOM 923 CA ALA A 57 -7.505 5.586 2.527 1.00 0.00 C ATOM 924 C ALA A 57 -6.286 4.989 3.219 1.00 0.00 C ATOM 925 O ALA A 57 -5.278 5.667 3.415 1.00 0.00 O ATOM 926 CB ALA A 57 -8.538 6.014 3.555 1.00 0.00 C ATOM 0 H ALA A 57 -8.976 4.245 1.875 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.190 6.467 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.089 6.727 4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.383 6.482 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.885 5.141 4.108 1.00 0.00 H new ATOM 932 N GLN A 58 -6.388 3.711 3.576 1.00 0.00 N ATOM 933 CA GLN A 58 -5.277 2.988 4.186 1.00 0.00 C ATOM 934 C GLN A 58 -4.081 2.963 3.242 1.00 0.00 C ATOM 935 O GLN A 58 -2.972 3.342 3.618 1.00 0.00 O ATOM 936 CB GLN A 58 -5.688 1.554 4.525 1.00 0.00 C ATOM 937 CG GLN A 58 -6.803 1.449 5.551 1.00 0.00 C ATOM 938 CD GLN A 58 -7.181 0.012 5.842 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.358 -0.894 5.731 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.422 -0.205 6.234 1.00 0.00 N ATOM 0 H GLN A 58 -7.233 3.153 3.452 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.001 3.504 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.004 1.053 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.816 1.017 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.490 1.935 6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.679 1.987 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.075 0.574 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.728 -1.152 6.457 1.00 0.00 H new ATOM 949 N ALA A 59 -4.330 2.533 2.009 1.00 0.00 N ATOM 950 CA ALA A 59 -3.286 2.440 0.995 1.00 0.00 C ATOM 951 C ALA A 59 -2.622 3.793 0.759 1.00 0.00 C ATOM 952 O ALA A 59 -1.397 3.885 0.666 1.00 0.00 O ATOM 953 CB ALA A 59 -3.863 1.900 -0.306 1.00 0.00 C ATOM 0 H ALA A 59 -5.253 2.242 1.687 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.523 1.751 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.074 1.835 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.282 0.909 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.647 2.569 -0.662 1.00 0.00 H new ATOM 959 N GLN A 60 -3.438 4.842 0.681 1.00 0.00 N ATOM 960 CA GLN A 60 -2.935 6.193 0.463 1.00 0.00 C ATOM 961 C GLN A 60 -2.060 6.613 1.637 1.00 0.00 C ATOM 962 O GLN A 60 -1.023 7.242 1.450 1.00 0.00 O ATOM 963 CB GLN A 60 -4.104 7.176 0.276 1.00 0.00 C ATOM 964 CG GLN A 60 -3.718 8.496 -0.391 1.00 0.00 C ATOM 965 CD GLN A 60 -2.944 9.431 0.517 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.137 9.439 1.734 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.071 10.234 -0.069 1.00 0.00 N ATOM 0 H GLN A 60 -4.453 4.780 0.766 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.332 6.207 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.877 6.693 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.542 7.390 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.119 8.284 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.623 9.000 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.941 10.196 -1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.528 10.892 0.490 1.00 0.00 H new ATOM 976 N HIS A 61 -2.479 6.238 2.842 1.00 0.00 N ATOM 977 CA HIS A 61 -1.741 6.570 4.056 1.00 0.00 C ATOM 978 C HIS A 61 -0.298 6.074 3.968 1.00 0.00 C ATOM 979 O HIS A 61 0.629 6.786 4.356 1.00 0.00 O ATOM 980 CB HIS A 61 -2.430 5.975 5.289 1.00 0.00 C ATOM 981 CG HIS A 61 -1.873 6.472 6.588 1.00 0.00 C ATOM 982 ND1 HIS A 61 -0.945 5.777 7.336 1.00 0.00 N ATOM 983 CD2 HIS A 61 -2.132 7.607 7.277 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.663 6.463 8.429 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.371 7.577 8.415 1.00 0.00 N ATOM 0 H HIS A 61 -3.331 5.701 3.004 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.728 7.655 4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.494 6.207 5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.339 4.889 5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.813 8.392 6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.029 6.164 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.354 8.299 9.135 1.00 0.00 H new ATOM 994 N LEU A 62 -0.111 4.855 3.457 1.00 0.00 N ATOM 995 CA LEU A 62 1.237 4.331 3.237 1.00 0.00 C ATOM 996 C LEU A 62 2.000 5.216 2.261 1.00 0.00 C ATOM 997 O LEU A 62 3.105 5.662 2.558 1.00 0.00 O ATOM 998 CB LEU A 62 1.221 2.893 2.702 1.00 0.00 C ATOM 999 CG LEU A 62 0.976 1.793 3.739 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.508 1.602 3.993 1.00 0.00 C ATOM 1001 CD2 LEU A 62 1.613 0.490 3.285 1.00 0.00 C ATOM 0 H LEU A 62 -0.864 4.221 3.191 1.00 0.00 H new ATOM 0 HA LEU A 62 1.735 4.328 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.450 2.820 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.175 2.698 2.213 1.00 0.00 H new ATOM 0 HG LEU A 62 1.439 2.100 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.652 0.815 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.936 2.533 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.003 1.321 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.431 -0.283 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.178 0.185 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.687 0.633 3.164 1.00 0.00 H new ATOM 1013 N ILE A 63 1.386 5.473 1.107 1.00 0.00 N ATOM 1014 CA ILE A 63 1.990 6.297 0.059 1.00 0.00 C ATOM 1015 C ILE A 63 2.383 7.671 0.590 1.00 0.00 C ATOM 1016 O ILE A 63 3.480 8.162 0.325 1.00 0.00 O ATOM 1017 CB ILE A 63 1.009 6.500 -1.117 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.631 5.161 -1.743 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.608 7.428 -2.166 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.543 5.261 -2.694 1.00 0.00 C ATOM 0 H ILE A 63 0.459 5.118 0.872 1.00 0.00 H new ATOM 0 HA ILE A 63 2.880 5.768 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 63 0.104 6.964 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.492 4.761 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.390 4.451 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.900 7.557 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.821 8.397 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.532 6.995 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.762 4.276 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.416 5.632 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.297 5.947 -3.505 1.00 0.00 H new ATOM 1032 N ASP A 64 1.472 8.277 1.338 1.00 0.00 N ATOM 1033 CA ASP A 64 1.653 9.635 1.834 1.00 0.00 C ATOM 1034 C ASP A 64 2.857 9.721 2.760 1.00 0.00 C ATOM 1035 O ASP A 64 3.605 10.701 2.737 1.00 0.00 O ATOM 1036 CB ASP A 64 0.395 10.095 2.571 1.00 0.00 C ATOM 1037 CG ASP A 64 0.332 11.599 2.747 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.850 12.113 3.761 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.255 12.269 1.872 1.00 0.00 O ATOM 0 H ASP A 64 0.591 7.845 1.617 1.00 0.00 H new ATOM 0 HA ASP A 64 1.830 10.289 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.485 9.761 2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.359 9.618 3.550 1.00 0.00 H new ATOM 1044 N THR A 65 3.059 8.682 3.555 1.00 0.00 N ATOM 1045 CA THR A 65 4.165 8.657 4.495 1.00 0.00 C ATOM 1046 C THR A 65 5.245 7.668 4.054 1.00 0.00 C ATOM 1047 O THR A 65 6.240 8.064 3.437 1.00 0.00 O ATOM 1048 CB THR A 65 3.683 8.304 5.921 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.841 7.141 5.888 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.917 9.461 6.540 1.00 0.00 C ATOM 0 H THR A 65 2.472 7.848 3.567 1.00 0.00 H new ATOM 0 HA THR A 65 4.594 9.659 4.511 1.00 0.00 H new ATOM 0 HB THR A 65 4.564 8.100 6.530 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.038 7.334 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.590 9.186 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.564 10.336 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.047 9.692 5.925 1.00 0.00 H new ATOM 1058 N SER A 66 4.992 6.390 4.332 1.00 0.00 N ATOM 1059 CA SER A 66 5.932 5.291 4.107 1.00 0.00 C ATOM 1060 C SER A 66 5.557 4.144 5.040 1.00 0.00 C ATOM 1061 O SER A 66 4.867 4.363 6.039 1.00 0.00 O ATOM 1062 CB SER A 66 7.381 5.709 4.378 1.00 0.00 C ATOM 1063 OG SER A 66 8.288 4.681 4.026 1.00 0.00 O ATOM 0 H SER A 66 4.105 6.081 4.730 1.00 0.00 H new ATOM 0 HA SER A 66 5.868 4.989 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.613 6.611 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.499 5.955 5.433 1.00 0.00 H new ATOM 0 HG SER A 66 9.204 4.977 4.208 1.00 0.00 H new ATOM 1069 N CYS A 67 6.006 2.935 4.729 1.00 0.00 N ATOM 1070 CA CYS A 67 5.696 1.774 5.555 1.00 0.00 C ATOM 1071 C CYS A 67 6.415 0.542 5.023 1.00 0.00 C ATOM 1072 O CYS A 67 6.836 0.507 3.868 1.00 0.00 O ATOM 1073 CB CYS A 67 4.178 1.531 5.586 1.00 0.00 C ATOM 1074 SG CYS A 67 3.624 0.335 6.826 1.00 0.00 S ATOM 0 H CYS A 67 6.584 2.732 3.914 1.00 0.00 H new ATOM 0 HA CYS A 67 6.039 1.968 6.571 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.676 2.481 5.769 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.860 1.187 4.602 1.00 0.00 H new ATOM 0 HG CYS A 67 2.331 0.212 6.763 1.00 0.00 H new ATOM 1080 N GLU A 68 6.582 -0.445 5.882 1.00 0.00 N ATOM 1081 CA GLU A 68 7.110 -1.739 5.483 1.00 0.00 C ATOM 1082 C GLU A 68 5.983 -2.761 5.480 1.00 0.00 C ATOM 1083 O GLU A 68 5.349 -2.997 6.509 1.00 0.00 O ATOM 1084 CB GLU A 68 8.231 -2.165 6.430 1.00 0.00 C ATOM 1085 CG GLU A 68 9.604 -1.679 6.006 1.00 0.00 C ATOM 1086 CD GLU A 68 10.172 -2.493 4.861 1.00 0.00 C ATOM 1087 OE1 GLU A 68 9.415 -3.270 4.242 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.388 -2.399 4.605 1.00 0.00 O ATOM 0 H GLU A 68 6.357 -0.375 6.874 1.00 0.00 H new ATOM 0 HA GLU A 68 7.527 -1.671 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.014 -1.787 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.245 -3.253 6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.541 -0.632 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.284 -1.729 6.857 1.00 0.00 H new ATOM 1095 N LEU A 69 5.725 -3.362 4.330 1.00 0.00 N ATOM 1096 CA LEU A 69 4.553 -4.208 4.182 1.00 0.00 C ATOM 1097 C LEU A 69 4.892 -5.577 3.600 1.00 0.00 C ATOM 1098 O LEU A 69 5.481 -5.683 2.522 1.00 0.00 O ATOM 1099 CB LEU A 69 3.517 -3.504 3.294 1.00 0.00 C ATOM 1100 CG LEU A 69 2.212 -4.270 3.061 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.479 -4.492 4.372 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.327 -3.523 2.075 1.00 0.00 C ATOM 0 H LEU A 69 6.304 -3.281 3.494 1.00 0.00 H new ATOM 0 HA LEU A 69 4.142 -4.375 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.276 -2.540 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.974 -3.299 2.326 1.00 0.00 H new ATOM 0 HG LEU A 69 2.457 -5.244 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.554 -5.038 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.110 -5.069 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.246 -3.529 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.403 -4.081 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.092 -2.536 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.850 -3.417 1.125 1.00 0.00 H new ATOM 1114 N ASP A 70 4.535 -6.618 4.340 1.00 0.00 N ATOM 1115 CA ASP A 70 4.524 -7.972 3.804 1.00 0.00 C ATOM 1116 C ASP A 70 3.221 -8.170 3.053 1.00 0.00 C ATOM 1117 O ASP A 70 2.150 -8.158 3.654 1.00 0.00 O ATOM 1118 CB ASP A 70 4.640 -9.021 4.916 1.00 0.00 C ATOM 1119 CG ASP A 70 6.003 -9.053 5.579 1.00 0.00 C ATOM 1120 OD1 ASP A 70 6.876 -9.810 5.115 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.200 -8.334 6.583 1.00 0.00 O ATOM 0 H ASP A 70 4.248 -6.550 5.317 1.00 0.00 H new ATOM 0 HA ASP A 70 5.381 -8.099 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.881 -8.822 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.424 -10.005 4.500 1.00 0.00 H new ATOM 1126 N VAL A 71 3.302 -8.340 1.744 1.00 0.00 N ATOM 1127 CA VAL A 71 2.106 -8.348 0.909 1.00 0.00 C ATOM 1128 C VAL A 71 1.520 -9.748 0.734 1.00 0.00 C ATOM 1129 O VAL A 71 0.699 -9.982 -0.157 1.00 0.00 O ATOM 1130 CB VAL A 71 2.374 -7.705 -0.465 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.494 -6.202 -0.318 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.626 -8.275 -1.107 1.00 0.00 C ATOM 0 H VAL A 71 4.176 -8.474 1.236 1.00 0.00 H new ATOM 0 HA VAL A 71 1.364 -7.748 1.436 1.00 0.00 H new ATOM 0 HB VAL A 71 1.532 -7.935 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.683 -5.755 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.566 -5.801 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.319 -5.967 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.787 -7.800 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.484 -8.085 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.507 -9.350 -1.245 1.00 0.00 H new ATOM 1142 N GLY A 72 1.929 -10.664 1.601 1.00 0.00 N ATOM 1143 CA GLY A 72 1.321 -11.979 1.643 1.00 0.00 C ATOM 1144 C GLY A 72 2.013 -12.988 0.754 1.00 0.00 C ATOM 1145 O GLY A 72 2.707 -12.617 -0.197 1.00 0.00 O ATOM 0 H GLY A 72 2.676 -10.518 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.331 -12.343 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.276 -11.898 1.344 1.00 0.00 H new ATOM 1149 N ALA A 73 1.844 -14.265 1.094 1.00 0.00 N ATOM 1150 CA ALA A 73 2.342 -15.379 0.286 1.00 0.00 C ATOM 1151 C ALA A 73 3.865 -15.429 0.281 1.00 0.00 C ATOM 1152 O ALA A 73 4.471 -16.114 -0.543 1.00 0.00 O ATOM 1153 CB ALA A 73 1.808 -15.295 -1.141 1.00 0.00 C ATOM 0 H ALA A 73 1.356 -14.558 1.941 1.00 0.00 H new ATOM 0 HA ALA A 73 1.978 -16.301 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.191 -16.133 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.719 -15.333 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.132 -14.359 -1.596 1.00 0.00 H new ATOM 1159 N GLY A 74 4.481 -14.716 1.211 1.00 0.00 N ATOM 1160 CA GLY A 74 5.927 -14.692 1.283 1.00 0.00 C ATOM 1161 C GLY A 74 6.518 -13.575 0.453 1.00 0.00 C ATOM 1162 O GLY A 74 7.736 -13.409 0.397 1.00 0.00 O ATOM 0 H GLY A 74 4.006 -14.154 1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.236 -14.574 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.323 -15.648 0.939 1.00 0.00 H new ATOM 1166 N LYS A 75 5.655 -12.802 -0.193 1.00 0.00 N ATOM 1167 CA LYS A 75 6.108 -11.704 -1.029 1.00 0.00 C ATOM 1168 C LYS A 75 6.469 -10.500 -0.169 1.00 0.00 C ATOM 1169 O LYS A 75 5.845 -10.240 0.864 1.00 0.00 O ATOM 1170 CB LYS A 75 5.039 -11.294 -2.043 1.00 0.00 C ATOM 1171 CG LYS A 75 4.524 -12.417 -2.930 1.00 0.00 C ATOM 1172 CD LYS A 75 3.539 -11.891 -3.972 1.00 0.00 C ATOM 1173 CE LYS A 75 2.445 -11.041 -3.334 1.00 0.00 C ATOM 1174 NZ LYS A 75 1.495 -10.486 -4.338 1.00 0.00 N ATOM 0 H LYS A 75 4.642 -12.916 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 75 6.988 -12.048 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.196 -10.863 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.446 -10.508 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.362 -12.902 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.038 -13.175 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.075 -11.298 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.086 -12.730 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.894 -11.645 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.903 -10.221 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.823 -9.849 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.024 -9.957 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.974 -11.264 -4.791 1.00 0.00 H new ATOM 1188 N TYR A 76 7.460 -9.762 -0.619 1.00 0.00 N ATOM 1189 CA TYR A 76 7.939 -8.589 0.082 1.00 0.00 C ATOM 1190 C TYR A 76 7.877 -7.400 -0.869 1.00 0.00 C ATOM 1191 O TYR A 76 8.497 -7.419 -1.933 1.00 0.00 O ATOM 1192 CB TYR A 76 9.378 -8.839 0.546 1.00 0.00 C ATOM 1193 CG TYR A 76 9.886 -7.877 1.595 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.482 -6.673 1.241 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.787 -8.187 2.945 1.00 0.00 C ATOM 1196 CE1 TYR A 76 10.960 -5.804 2.203 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.265 -7.326 3.910 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.851 -6.137 3.536 1.00 0.00 C ATOM 1199 OH TYR A 76 11.334 -5.281 4.501 1.00 0.00 O ATOM 0 H TYR A 76 7.959 -9.959 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 76 7.323 -8.380 0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.446 -9.853 0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.037 -8.790 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.573 -6.412 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.328 -9.118 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.416 -4.869 1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.180 -7.583 4.956 1.00 0.00 H new ATOM 0 HH TYR A 76 11.692 -4.475 4.074 1.00 0.00 H new ATOM 1209 N LEU A 77 7.116 -6.382 -0.503 1.00 0.00 N ATOM 1210 CA LEU A 77 6.893 -5.254 -1.394 1.00 0.00 C ATOM 1211 C LEU A 77 7.681 -4.034 -0.949 1.00 0.00 C ATOM 1212 O LEU A 77 7.635 -3.643 0.217 1.00 0.00 O ATOM 1213 CB LEU A 77 5.408 -4.909 -1.451 1.00 0.00 C ATOM 1214 CG LEU A 77 5.035 -3.803 -2.439 1.00 0.00 C ATOM 1215 CD1 LEU A 77 5.277 -4.260 -3.867 1.00 0.00 C ATOM 1216 CD2 LEU A 77 3.588 -3.383 -2.255 1.00 0.00 C ATOM 0 H LEU A 77 6.645 -6.313 0.399 1.00 0.00 H new ATOM 0 HA LEU A 77 7.238 -5.544 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.852 -5.810 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.082 -4.610 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 77 5.670 -2.940 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.006 -3.460 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.330 -4.509 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.669 -5.140 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.344 -2.595 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.936 -4.240 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.443 -3.012 -1.241 1.00 0.00 H new ATOM 1228 N GLN A 78 8.402 -3.441 -1.884 1.00 0.00 N ATOM 1229 CA GLN A 78 9.118 -2.206 -1.622 1.00 0.00 C ATOM 1230 C GLN A 78 8.801 -1.187 -2.704 1.00 0.00 C ATOM 1231 O GLN A 78 8.864 -1.493 -3.894 1.00 0.00 O ATOM 1232 CB GLN A 78 10.628 -2.450 -1.563 1.00 0.00 C ATOM 1233 CG GLN A 78 11.065 -3.329 -0.404 1.00 0.00 C ATOM 1234 CD GLN A 78 12.567 -3.516 -0.349 1.00 0.00 C ATOM 1235 OE1 GLN A 78 13.281 -2.738 0.286 1.00 0.00 O ATOM 1236 NE2 GLN A 78 13.056 -4.552 -1.008 1.00 0.00 N ATOM 0 H GLN A 78 8.507 -3.796 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 78 8.796 -1.821 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.948 -2.912 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.139 -1.490 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.723 -2.887 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.584 -4.303 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.429 -5.172 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.060 -4.732 -1.003 1.00 0.00 H new ATOM 1245 N TRP A 79 8.456 0.018 -2.291 1.00 0.00 N ATOM 1246 CA TRP A 79 8.230 1.102 -3.229 1.00 0.00 C ATOM 1247 C TRP A 79 8.969 2.336 -2.738 1.00 0.00 C ATOM 1248 O TRP A 79 9.026 2.591 -1.533 1.00 0.00 O ATOM 1249 CB TRP A 79 6.723 1.393 -3.400 1.00 0.00 C ATOM 1250 CG TRP A 79 6.106 2.199 -2.291 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.773 3.524 -2.337 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.751 1.744 -0.979 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.238 3.920 -1.139 1.00 0.00 N ATOM 1254 CE2 TRP A 79 5.213 2.848 -0.289 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.830 0.513 -0.320 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.767 2.758 1.025 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 5.384 0.427 0.985 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.857 1.546 1.644 1.00 0.00 C ATOM 0 H TRP A 79 8.326 0.271 -1.312 1.00 0.00 H new ATOM 0 HA TRP A 79 8.611 0.813 -4.209 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.574 1.923 -4.341 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.191 0.445 -3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.912 4.166 -3.194 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.912 4.861 -0.917 1.00 0.00 H new ATOM 0 HE3 TRP A 79 6.232 -0.355 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 4.363 3.618 1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.442 -0.518 1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.515 1.446 2.664 1.00 0.00 H new ATOM 1269 N TYR A 80 9.569 3.079 -3.648 1.00 0.00 N ATOM 1270 CA TYR A 80 10.282 4.282 -3.262 1.00 0.00 C ATOM 1271 C TYR A 80 9.932 5.434 -4.188 1.00 0.00 C ATOM 1272 O TYR A 80 9.782 5.255 -5.399 1.00 0.00 O ATOM 1273 CB TYR A 80 11.802 4.042 -3.219 1.00 0.00 C ATOM 1274 CG TYR A 80 12.432 3.638 -4.538 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.426 2.315 -4.962 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.048 4.583 -5.351 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.015 1.945 -6.157 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.639 4.221 -6.545 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.620 2.902 -6.944 1.00 0.00 C ATOM 1280 OH TYR A 80 14.209 2.542 -8.135 1.00 0.00 O ATOM 0 H TYR A 80 9.578 2.875 -4.647 1.00 0.00 H new ATOM 0 HA TYR A 80 9.966 4.552 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 80 12.287 4.953 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.010 3.265 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.953 1.563 -4.348 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.064 5.618 -5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.001 0.912 -6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.114 4.968 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 80 14.588 3.337 -8.566 1.00 0.00 H new ATOM 1290 N ALA A 81 9.770 6.607 -3.600 1.00 0.00 N ATOM 1291 CA ALA A 81 9.429 7.797 -4.350 1.00 0.00 C ATOM 1292 C ALA A 81 10.684 8.481 -4.855 1.00 0.00 C ATOM 1293 O ALA A 81 11.526 8.906 -4.064 1.00 0.00 O ATOM 1294 CB ALA A 81 8.626 8.753 -3.485 1.00 0.00 C ATOM 0 H ALA A 81 9.871 6.758 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 81 8.822 7.504 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.377 9.644 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.709 8.264 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.216 9.038 -2.614 1.00 0.00 H new ATOM 1300 N VAL A 82 10.815 8.580 -6.165 1.00 0.00 N ATOM 1301 CA VAL A 82 11.957 9.257 -6.746 1.00 0.00 C ATOM 1302 C VAL A 82 11.703 10.758 -6.791 1.00 0.00 C ATOM 1303 O VAL A 82 10.954 11.261 -7.627 1.00 0.00 O ATOM 1304 CB VAL A 82 12.295 8.720 -8.158 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.028 7.392 -8.055 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.037 8.554 -8.999 1.00 0.00 C ATOM 0 H VAL A 82 10.150 8.203 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 82 12.821 9.056 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 82 12.940 9.449 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.260 7.026 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.953 7.530 -7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.397 6.667 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.306 8.176 -9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.364 7.849 -8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.539 9.518 -9.104 1.00 0.00 H new