USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 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 80 THR OG1 : rot -97:sc= 1.28 USER MOD Set 1.2: A 82 THR OG1 : rot 55:sc= 0.0796 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.188 X(o=0.45,f=0.052) USER MOD Set 2.2: A 60 LYS NZ :NH3+ -167:sc= 0.265 (180deg=0.000349) USER MOD Set 3.1: A 26 ASN : amide:sc= 0.0438 X(o=0.083,f=-0.01) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 173:sc= 0.0391 (180deg=0) USER MOD Set 4.1: A 10 ASN : amide:sc= 0.365 K(o=0.75,f=-2.2) USER MOD Set 4.2: A 24 LYS NZ :NH3+ -107:sc= 0.389 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -146:sc= -0.211 (180deg=-1.17) USER MOD Single : A 19 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.4) USER MOD Single : A 20 SER OG : rot -164:sc= 1.16 USER MOD Single : A 22 GLN : amide:sc= 0.261 K(o=0.26,f=-3.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 32 THR OG1 : rot 50:sc= 0.00129 USER MOD Single : A 35 SER OG : rot 44:sc= 0.627 USER MOD Single : A 37 SER OG : rot 150:sc= -0.315 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -163:sc= 0.34 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0935) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -41:sc= 0.787 USER MOD Single : A 81 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.63) USER MOD Single : A 83 ASN : amide:sc= 0.422 K(o=0.42,f=-0.079) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 93 SER OG : rot -55:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.789 -0.745 18.661 1.00 0.00 N ATOM 2 CA VAL A 1 -8.480 -1.411 18.384 1.00 0.00 C ATOM 3 C VAL A 1 -7.812 -2.164 19.611 1.00 0.00 C ATOM 4 O VAL A 1 -7.210 -3.202 19.310 1.00 0.00 O ATOM 5 CB VAL A 1 -7.538 -0.417 17.609 1.00 0.00 C ATOM 6 CG1 VAL A 1 -6.972 0.782 18.403 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.352 -1.134 16.924 1.00 0.00 C ATOM 0 H1 VAL A 1 -10.391 -0.798 17.815 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.262 -1.225 19.453 1.00 0.00 H new ATOM 0 H3 VAL A 1 -9.626 0.252 18.908 1.00 0.00 H new ATOM 0 HA VAL A 1 -8.682 -2.258 17.729 1.00 0.00 H new ATOM 0 HB VAL A 1 -8.232 -0.002 16.878 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -6.340 1.385 17.751 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.795 1.392 18.777 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.381 0.416 19.243 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.735 -0.401 16.404 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.752 -1.645 17.677 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.732 -1.862 16.207 1.00 0.00 H new ATOM 8 N PRO A 2 -7.859 -1.808 20.940 1.00 0.00 N ATOM 9 CA PRO A 2 -7.191 -2.603 22.023 1.00 0.00 C ATOM 10 C PRO A 2 -7.909 -3.948 22.416 1.00 0.00 C ATOM 11 O PRO A 2 -8.530 -4.075 23.474 1.00 0.00 O ATOM 12 CB PRO A 2 -7.102 -1.571 23.177 1.00 0.00 C ATOM 13 CG PRO A 2 -7.384 -0.202 22.558 1.00 0.00 C ATOM 14 CD PRO A 2 -8.366 -0.513 21.433 1.00 0.00 C ATOM 0 HA PRO A 2 -6.223 -2.994 21.711 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.826 -1.800 23.959 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.116 -1.591 23.640 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.813 0.487 23.286 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.473 0.262 22.179 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.392 -0.586 21.794 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.355 0.253 20.657 1.00 0.00 H new ATOM 15 N ASP A 3 -7.770 -4.982 21.568 1.00 0.00 N ATOM 16 CA ASP A 3 -8.457 -6.307 21.694 1.00 0.00 C ATOM 17 C ASP A 3 -10.042 -6.211 21.645 1.00 0.00 C ATOM 18 O ASP A 3 -10.687 -6.452 22.673 1.00 0.00 O ATOM 19 CB ASP A 3 -7.925 -7.097 22.922 1.00 0.00 C ATOM 20 CG ASP A 3 -6.421 -7.333 23.001 1.00 0.00 C ATOM 21 OD1 ASP A 3 -5.858 -8.306 22.513 1.00 0.00 O ATOM 22 OD2 ASP A 3 -5.791 -6.326 23.670 1.00 0.00 O ATOM 0 H ASP A 3 -7.163 -4.932 20.750 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.198 -6.882 20.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.231 -6.566 23.823 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.421 -8.068 22.940 1.00 0.00 H new ATOM 23 N PRO A 4 -10.720 -5.885 20.500 1.00 0.00 N ATOM 24 CA PRO A 4 -12.200 -5.712 20.470 1.00 0.00 C ATOM 25 C PRO A 4 -13.029 -7.021 20.235 1.00 0.00 C ATOM 26 O PRO A 4 -12.575 -7.979 19.599 1.00 0.00 O ATOM 27 CB PRO A 4 -12.334 -4.704 19.309 1.00 0.00 C ATOM 28 CG PRO A 4 -11.222 -5.085 18.328 1.00 0.00 C ATOM 29 CD PRO A 4 -10.062 -5.504 19.232 1.00 0.00 C ATOM 0 HA PRO A 4 -12.609 -5.388 21.427 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.315 -4.770 18.839 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.217 -3.679 19.660 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.530 -5.898 17.671 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.948 -4.245 17.689 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.504 -6.337 18.805 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.354 -4.688 19.378 1.00 0.00 H new ATOM 30 N ARG A 5 -14.296 -7.026 20.686 1.00 0.00 N ATOM 31 CA ARG A 5 -15.245 -8.152 20.425 1.00 0.00 C ATOM 32 C ARG A 5 -15.937 -7.984 19.018 1.00 0.00 C ATOM 33 O ARG A 5 -17.129 -7.690 18.891 1.00 0.00 O ATOM 34 CB ARG A 5 -16.210 -8.196 21.643 1.00 0.00 C ATOM 35 CG ARG A 5 -17.122 -9.448 21.708 1.00 0.00 C ATOM 36 CD ARG A 5 -18.022 -9.515 22.956 1.00 0.00 C ATOM 37 NE ARG A 5 -17.233 -9.844 24.173 1.00 0.00 N ATOM 38 CZ ARG A 5 -17.727 -9.943 25.401 1.00 0.00 C ATOM 39 NH1 ARG A 5 -18.989 -9.777 25.702 1.00 0.00 N ATOM 40 NH2 ARG A 5 -16.905 -10.221 26.364 1.00 0.00 N ATOM 0 H ARG A 5 -14.698 -6.267 21.235 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.750 -9.120 20.348 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.620 -8.147 22.558 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -16.840 -7.306 21.622 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -17.752 -9.470 20.819 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -16.497 -10.340 21.678 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -18.527 -8.559 23.095 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.797 -10.267 22.808 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.233 -10.006 24.055 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.663 -9.556 24.969 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.299 -9.868 26.670 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.914 -10.356 26.165 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.250 -10.305 27.320 1.00 0.00 H new ATOM 41 N GLY A 6 -15.143 -8.174 17.954 1.00 0.00 N ATOM 42 CA GLY A 6 -15.587 -7.943 16.555 1.00 0.00 C ATOM 43 C GLY A 6 -14.389 -7.793 15.600 1.00 0.00 C ATOM 44 O GLY A 6 -13.776 -6.728 15.506 1.00 0.00 O ATOM 0 H GLY A 6 -14.176 -8.491 18.029 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -16.212 -8.774 16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -16.203 -7.045 16.511 1.00 0.00 H new ATOM 45 N ILE A 7 -14.069 -8.869 14.879 1.00 0.00 N ATOM 46 CA ILE A 7 -12.870 -8.937 13.980 1.00 0.00 C ATOM 47 C ILE A 7 -13.275 -8.392 12.560 1.00 0.00 C ATOM 48 O ILE A 7 -13.537 -9.138 11.613 1.00 0.00 O ATOM 49 CB ILE A 7 -12.283 -10.403 14.012 1.00 0.00 C ATOM 50 CG1 ILE A 7 -11.801 -10.845 15.433 1.00 0.00 C ATOM 51 CG2 ILE A 7 -11.079 -10.569 13.043 1.00 0.00 C ATOM 52 CD1 ILE A 7 -11.645 -12.366 15.627 1.00 0.00 C ATOM 0 H ILE A 7 -14.620 -9.727 14.888 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.054 -8.298 14.317 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.116 -11.034 13.702 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.843 -10.368 15.639 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -12.509 -10.471 16.172 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.707 -11.592 13.097 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.400 -10.353 12.024 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.285 -9.878 13.327 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.307 -12.570 16.643 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -12.605 -12.855 15.458 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.913 -12.750 14.917 1.00 0.00 H new ATOM 53 N ILE A 8 -13.309 -7.057 12.431 1.00 0.00 N ATOM 54 CA ILE A 8 -13.779 -6.348 11.188 1.00 0.00 C ATOM 55 C ILE A 8 -12.673 -6.154 10.076 1.00 0.00 C ATOM 56 O ILE A 8 -12.433 -5.051 9.569 1.00 0.00 O ATOM 57 CB ILE A 8 -14.514 -5.004 11.597 1.00 0.00 C ATOM 58 CG1 ILE A 8 -13.830 -4.069 12.649 1.00 0.00 C ATOM 59 CG2 ILE A 8 -15.940 -5.309 12.125 1.00 0.00 C ATOM 60 CD1 ILE A 8 -12.454 -3.505 12.257 1.00 0.00 C ATOM 0 H ILE A 8 -13.016 -6.422 13.173 1.00 0.00 H new ATOM 0 HA ILE A 8 -14.496 -7.002 10.692 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.491 -4.449 10.659 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.499 -3.233 12.851 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.721 -4.623 13.581 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -16.433 -4.377 12.402 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -16.518 -5.807 11.346 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.874 -5.958 12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.078 -2.872 13.061 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.759 -4.327 12.087 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.549 -2.915 11.345 1.00 0.00 H new ATOM 61 N ILE A 9 -12.035 -7.259 9.650 1.00 0.00 N ATOM 62 CA ILE A 9 -10.952 -7.248 8.614 1.00 0.00 C ATOM 63 C ILE A 9 -11.342 -8.181 7.399 1.00 0.00 C ATOM 64 O ILE A 9 -12.515 -8.271 7.027 1.00 0.00 O ATOM 65 CB ILE A 9 -9.550 -7.499 9.315 1.00 0.00 C ATOM 66 CG1 ILE A 9 -9.367 -8.887 9.996 1.00 0.00 C ATOM 67 CG2 ILE A 9 -9.228 -6.388 10.348 1.00 0.00 C ATOM 68 CD1 ILE A 9 -7.902 -9.229 10.336 1.00 0.00 C ATOM 0 H ILE A 9 -12.246 -8.191 10.006 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.841 -6.271 8.143 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.848 -7.478 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.957 -8.912 10.912 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.767 -9.659 9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.262 -6.590 10.810 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.195 -5.422 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.001 -6.371 11.116 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.858 -10.211 10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.309 -9.238 9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.503 -8.480 11.020 1.00 0.00 H new ATOM 69 N ASN A 10 -10.370 -8.847 6.746 1.00 0.00 N ATOM 70 CA ASN A 10 -10.584 -9.786 5.590 1.00 0.00 C ATOM 71 C ASN A 10 -11.190 -9.136 4.282 1.00 0.00 C ATOM 72 O ASN A 10 -12.295 -9.479 3.850 1.00 0.00 O ATOM 73 CB ASN A 10 -11.397 -11.041 6.050 1.00 0.00 C ATOM 74 CG ASN A 10 -10.741 -11.943 7.088 1.00 0.00 C ATOM 75 OD1 ASN A 10 -9.815 -12.693 6.811 1.00 0.00 O ATOM 76 ND2 ASN A 10 -11.215 -11.932 8.304 1.00 0.00 N ATOM 0 H ASN A 10 -9.387 -8.756 7.001 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.585 -10.092 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.351 -10.699 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.619 -11.643 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.814 -12.545 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.987 -11.310 8.545 1.00 0.00 H new ATOM 77 N LEU A 11 -10.432 -8.249 3.610 1.00 0.00 N ATOM 78 CA LEU A 11 -10.893 -7.551 2.370 1.00 0.00 C ATOM 79 C LEU A 11 -9.999 -7.760 1.105 1.00 0.00 C ATOM 80 O LEU A 11 -8.782 -7.953 1.148 1.00 0.00 O ATOM 81 CB LEU A 11 -11.045 -6.027 2.691 1.00 0.00 C ATOM 82 CG LEU A 11 -12.491 -5.621 3.029 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.515 -4.336 3.870 1.00 0.00 C ATOM 84 CD2 LEU A 11 -13.339 -5.428 1.763 1.00 0.00 C ATOM 0 H LEU A 11 -9.489 -7.990 3.899 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.845 -8.005 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.397 -5.772 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.702 -5.446 1.835 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.925 -6.436 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.547 -4.069 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.970 -4.499 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.045 -3.527 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.353 -5.142 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.899 -4.645 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.368 -6.360 1.199 1.00 0.00 H new ATOM 85 N ASP A 12 -10.655 -7.685 -0.055 1.00 0.00 N ATOM 86 CA ASP A 12 -9.980 -7.723 -1.385 1.00 0.00 C ATOM 87 C ASP A 12 -9.425 -6.318 -1.821 1.00 0.00 C ATOM 88 O ASP A 12 -9.775 -5.279 -1.245 1.00 0.00 O ATOM 89 CB ASP A 12 -11.024 -8.253 -2.405 1.00 0.00 C ATOM 90 CG ASP A 12 -11.417 -9.719 -2.257 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.418 -10.562 -2.629 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.509 -10.096 -1.851 1.00 0.00 O ATOM 0 H ASP A 12 -11.669 -7.596 -0.115 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.108 -8.376 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.925 -7.645 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.630 -8.103 -3.410 1.00 0.00 H new ATOM 93 N GLU A 13 -8.561 -6.273 -2.857 1.00 0.00 N ATOM 94 CA GLU A 13 -8.092 -4.973 -3.428 1.00 0.00 C ATOM 95 C GLU A 13 -9.206 -4.366 -4.366 1.00 0.00 C ATOM 96 O GLU A 13 -9.996 -5.075 -4.998 1.00 0.00 O ATOM 97 CB GLU A 13 -6.653 -5.129 -4.008 1.00 0.00 C ATOM 98 CG GLU A 13 -6.427 -5.165 -5.540 1.00 0.00 C ATOM 99 CD GLU A 13 -6.990 -6.383 -6.274 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.152 -7.490 -5.768 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.285 -6.102 -7.570 1.00 0.00 O ATOM 0 H GLU A 13 -8.175 -7.099 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.965 -4.207 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.055 -4.308 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.238 -6.050 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.870 -4.268 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.355 -5.115 -5.730 1.00 0.00 H new ATOM 102 N GLY A 14 -9.262 -3.034 -4.437 1.00 0.00 N ATOM 103 CA GLY A 14 -10.363 -2.298 -5.132 1.00 0.00 C ATOM 104 C GLY A 14 -11.609 -1.988 -4.247 1.00 0.00 C ATOM 105 O GLY A 14 -12.724 -1.890 -4.759 1.00 0.00 O ATOM 0 H GLY A 14 -8.558 -2.423 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.966 -1.358 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.684 -2.884 -5.993 1.00 0.00 H new ATOM 106 N GLU A 15 -11.407 -1.802 -2.933 1.00 0.00 N ATOM 107 CA GLU A 15 -12.481 -1.624 -1.922 1.00 0.00 C ATOM 108 C GLU A 15 -12.083 -0.479 -0.932 1.00 0.00 C ATOM 109 O GLU A 15 -10.916 -0.360 -0.536 1.00 0.00 O ATOM 110 CB GLU A 15 -12.663 -2.963 -1.145 1.00 0.00 C ATOM 111 CG GLU A 15 -13.072 -4.227 -1.954 1.00 0.00 C ATOM 112 CD GLU A 15 -14.433 -4.190 -2.648 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.359 -3.448 -2.334 1.00 0.00 O ATOM 114 OE2 GLU A 15 -14.511 -5.097 -3.657 1.00 0.00 O ATOM 0 H GLU A 15 -10.472 -1.769 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.417 -1.355 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.726 -3.183 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.416 -2.802 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.309 -4.407 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.058 -5.082 -1.278 1.00 0.00 H new ATOM 115 N LEU A 16 -13.045 0.358 -0.507 1.00 0.00 N ATOM 116 CA LEU A 16 -12.773 1.499 0.423 1.00 0.00 C ATOM 117 C LEU A 16 -12.412 0.999 1.871 1.00 0.00 C ATOM 118 O LEU A 16 -13.205 0.326 2.538 1.00 0.00 O ATOM 119 CB LEU A 16 -14.009 2.447 0.375 1.00 0.00 C ATOM 120 CG LEU A 16 -13.776 3.926 0.796 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.971 4.791 0.356 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.578 4.120 2.309 1.00 0.00 C ATOM 0 H LEU A 16 -14.023 0.277 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.892 2.057 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.402 2.441 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.783 2.029 1.018 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.853 4.230 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.801 5.825 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.079 4.739 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.881 4.422 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.421 5.177 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.463 3.770 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.709 3.551 2.638 1.00 0.00 H new ATOM 123 N CYS A 17 -11.188 1.311 2.322 1.00 0.00 N ATOM 124 CA CYS A 17 -10.638 0.847 3.623 1.00 0.00 C ATOM 125 C CYS A 17 -10.148 2.014 4.535 1.00 0.00 C ATOM 126 O CYS A 17 -9.767 3.094 4.071 1.00 0.00 O ATOM 127 CB CYS A 17 -9.457 -0.089 3.278 1.00 0.00 C ATOM 128 SG CYS A 17 -8.247 0.754 2.223 1.00 0.00 S ATOM 0 H CYS A 17 -10.539 1.897 1.796 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.421 0.344 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.974 -0.424 4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.830 -0.979 2.771 1.00 0.00 H new ATOM 129 N LEU A 18 -10.119 1.766 5.854 1.00 0.00 N ATOM 130 CA LEU A 18 -9.554 2.723 6.837 1.00 0.00 C ATOM 131 C LEU A 18 -8.039 2.372 7.033 1.00 0.00 C ATOM 132 O LEU A 18 -7.201 3.097 6.507 1.00 0.00 O ATOM 133 CB LEU A 18 -10.402 2.740 8.147 1.00 0.00 C ATOM 134 CG LEU A 18 -11.823 3.365 8.070 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.892 2.375 7.572 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.260 3.884 9.451 1.00 0.00 C ATOM 0 H LEU A 18 -10.480 0.909 6.272 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.605 3.750 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.504 1.712 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.837 3.280 8.907 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.749 4.181 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.862 2.872 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.629 2.028 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.943 1.523 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.257 4.318 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.275 3.058 10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.558 4.644 9.793 1.00 0.00 H new ATOM 137 N ASN A 19 -7.676 1.325 7.797 1.00 0.00 N ATOM 138 CA ASN A 19 -6.257 0.864 7.942 1.00 0.00 C ATOM 139 C ASN A 19 -5.801 -0.258 6.932 1.00 0.00 C ATOM 140 O ASN A 19 -6.610 -0.961 6.321 1.00 0.00 O ATOM 141 CB ASN A 19 -6.045 0.506 9.442 1.00 0.00 C ATOM 142 CG ASN A 19 -6.807 -0.698 9.999 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.516 -1.842 9.686 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.797 -0.500 10.828 1.00 0.00 N ATOM 0 H ASN A 19 -8.343 0.769 8.333 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.590 1.676 7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.981 0.331 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.315 1.379 10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.314 -1.295 11.204 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.053 0.449 11.100 1.00 0.00 H new ATOM 145 N SER A 20 -4.474 -0.471 6.820 1.00 0.00 N ATOM 146 CA SER A 20 -3.863 -1.562 5.984 1.00 0.00 C ATOM 147 C SER A 20 -4.048 -3.023 6.503 1.00 0.00 C ATOM 148 O SER A 20 -3.982 -3.963 5.708 1.00 0.00 O ATOM 149 CB SER A 20 -2.369 -1.251 5.800 1.00 0.00 C ATOM 150 OG SER A 20 -2.206 -0.031 5.078 1.00 0.00 O ATOM 0 H SER A 20 -3.782 0.102 7.302 1.00 0.00 H new ATOM 0 HA SER A 20 -4.411 -1.552 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.883 -1.174 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.883 -2.067 5.265 1.00 0.00 H new ATOM 0 HG SER A 20 -1.286 0.032 4.746 1.00 0.00 H new ATOM 151 N ALA A 21 -4.293 -3.205 7.810 1.00 0.00 N ATOM 152 CA ALA A 21 -4.634 -4.531 8.395 1.00 0.00 C ATOM 153 C ALA A 21 -6.111 -5.042 8.164 1.00 0.00 C ATOM 154 O ALA A 21 -6.481 -6.111 8.652 1.00 0.00 O ATOM 155 CB ALA A 21 -4.309 -4.352 9.886 1.00 0.00 C ATOM 0 H ALA A 21 -4.263 -2.450 8.495 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.065 -5.317 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.525 -5.278 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.254 -4.105 10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.917 -3.546 10.297 1.00 0.00 H new ATOM 156 N GLN A 22 -6.908 -4.330 7.351 1.00 0.00 N ATOM 157 CA GLN A 22 -8.272 -4.740 6.935 1.00 0.00 C ATOM 158 C GLN A 22 -8.255 -5.551 5.597 1.00 0.00 C ATOM 159 O GLN A 22 -8.990 -6.533 5.503 1.00 0.00 O ATOM 160 CB GLN A 22 -9.165 -3.477 6.812 1.00 0.00 C ATOM 161 CG GLN A 22 -9.657 -2.894 8.161 1.00 0.00 C ATOM 162 CD GLN A 22 -10.601 -1.706 8.011 1.00 0.00 C ATOM 163 OE1 GLN A 22 -10.203 -0.603 7.657 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.871 -1.880 8.270 1.00 0.00 N ATOM 0 H GLN A 22 -6.623 -3.435 6.953 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.684 -5.404 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.607 -2.706 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.033 -3.721 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.163 -3.679 8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.793 -2.587 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.211 -2.795 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.522 -1.100 8.177 1.00 0.00 H new ATOM 165 N CYS A 23 -7.462 -5.184 4.571 1.00 0.00 N ATOM 166 CA CYS A 23 -7.322 -5.998 3.338 1.00 0.00 C ATOM 167 C CYS A 23 -6.377 -7.227 3.595 1.00 0.00 C ATOM 168 O CYS A 23 -5.319 -7.109 4.220 1.00 0.00 O ATOM 169 CB CYS A 23 -6.909 -5.034 2.225 1.00 0.00 C ATOM 170 SG CYS A 23 -8.261 -3.857 2.004 1.00 0.00 S ATOM 0 H CYS A 23 -6.906 -4.329 4.568 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.250 -6.472 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.987 -4.515 2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.716 -5.576 1.299 1.00 0.00 H new ATOM 171 N LYS A 24 -6.776 -8.402 3.088 1.00 0.00 N ATOM 172 CA LYS A 24 -6.126 -9.726 3.346 1.00 0.00 C ATOM 173 C LYS A 24 -4.583 -9.880 3.302 1.00 0.00 C ATOM 174 O LYS A 24 -4.033 -10.666 4.077 1.00 0.00 O ATOM 175 CB LYS A 24 -6.773 -10.761 2.372 1.00 0.00 C ATOM 176 CG LYS A 24 -8.244 -11.185 2.592 1.00 0.00 C ATOM 177 CD LYS A 24 -8.457 -12.142 3.784 1.00 0.00 C ATOM 178 CE LYS A 24 -8.020 -13.594 3.536 1.00 0.00 C ATOM 179 NZ LYS A 24 -8.163 -14.358 4.792 1.00 0.00 N ATOM 0 H LYS A 24 -7.582 -8.476 2.467 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.314 -9.883 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.696 -10.355 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.163 -11.664 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.848 -10.291 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.611 -11.666 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.910 -11.755 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.514 -12.137 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.629 -14.042 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.986 -13.623 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.222 -14.549 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.722 -13.805 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.646 -15.258 4.598 1.00 0.00 H new ATOM 180 N SER A 25 -3.902 -9.192 2.387 1.00 0.00 N ATOM 181 CA SER A 25 -2.411 -9.196 2.384 1.00 0.00 C ATOM 182 C SER A 25 -1.860 -8.182 3.448 1.00 0.00 C ATOM 183 O SER A 25 -1.492 -8.576 4.555 1.00 0.00 O ATOM 184 CB SER A 25 -1.932 -8.998 0.920 1.00 0.00 C ATOM 185 OG SER A 25 -2.340 -10.086 0.090 1.00 0.00 O ATOM 0 H SER A 25 -4.330 -8.633 1.649 1.00 0.00 H new ATOM 0 HA SER A 25 -1.993 -10.149 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.336 -8.065 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.846 -8.909 0.899 1.00 0.00 H new ATOM 0 HG SER A 25 -2.027 -9.934 -0.826 1.00 0.00 H new ATOM 186 N ASN A 26 -1.777 -6.897 3.078 1.00 0.00 N ATOM 187 CA ASN A 26 -1.239 -5.791 3.949 1.00 0.00 C ATOM 188 C ASN A 26 -1.363 -4.355 3.282 1.00 0.00 C ATOM 189 O ASN A 26 -0.515 -3.495 3.560 1.00 0.00 O ATOM 190 CB ASN A 26 0.247 -6.089 4.377 1.00 0.00 C ATOM 191 CG ASN A 26 1.304 -6.251 3.273 1.00 0.00 C ATOM 192 OD1 ASN A 26 1.577 -7.331 2.764 1.00 0.00 O ATOM 193 ND2 ASN A 26 1.942 -5.186 2.865 1.00 0.00 N ATOM 0 H ASN A 26 -2.079 -6.571 2.160 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.864 -5.768 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.572 -5.282 5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.245 -7.002 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.651 -5.264 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.730 -4.276 3.275 1.00 0.00 H new ATOM 194 N CYS A 27 -2.366 -4.038 2.431 1.00 0.00 N ATOM 195 CA CYS A 27 -2.368 -2.766 1.647 1.00 0.00 C ATOM 196 C CYS A 27 -3.682 -1.926 1.571 1.00 0.00 C ATOM 197 O CYS A 27 -4.589 -2.221 0.791 1.00 0.00 O ATOM 198 CB CYS A 27 -1.926 -3.215 0.225 1.00 0.00 C ATOM 199 SG CYS A 27 -1.996 -1.877 -0.997 1.00 0.00 S ATOM 0 H CYS A 27 -3.178 -4.633 2.266 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.716 -2.060 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.908 -3.603 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.564 -4.035 -0.105 1.00 0.00 H new ATOM 200 N CYS A 28 -3.749 -0.838 2.355 1.00 0.00 N ATOM 201 CA CYS A 28 -4.817 0.194 2.233 1.00 0.00 C ATOM 202 C CYS A 28 -4.064 1.384 1.566 1.00 0.00 C ATOM 203 O CYS A 28 -3.122 1.937 2.152 1.00 0.00 O ATOM 204 CB CYS A 28 -5.454 0.580 3.575 1.00 0.00 C ATOM 205 SG CYS A 28 -6.851 1.692 3.314 1.00 0.00 S ATOM 0 H CYS A 28 -3.072 -0.640 3.092 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.673 -0.158 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.788 -0.317 4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.712 1.062 4.211 1.00 0.00 H new ATOM 206 N GLN A 29 -4.415 1.733 0.323 1.00 0.00 N ATOM 207 CA GLN A 29 -3.660 2.749 -0.452 1.00 0.00 C ATOM 208 C GLN A 29 -4.331 4.160 -0.392 1.00 0.00 C ATOM 209 O GLN A 29 -5.504 4.341 -0.723 1.00 0.00 O ATOM 210 CB GLN A 29 -3.462 2.155 -1.873 1.00 0.00 C ATOM 211 CG GLN A 29 -2.196 2.658 -2.634 1.00 0.00 C ATOM 212 CD GLN A 29 -2.379 3.590 -3.830 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.718 3.458 -4.852 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.223 4.578 -3.743 1.00 0.00 N ATOM 0 H GLN A 29 -5.212 1.334 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.678 2.948 -0.022 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.409 1.069 -1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.342 2.387 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.558 3.168 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.648 1.781 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.780 4.700 -2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.327 5.230 -4.521 1.00 0.00 H new ATOM 215 N HIS A 30 -3.560 5.158 0.055 1.00 0.00 N ATOM 216 CA HIS A 30 -4.042 6.544 0.292 1.00 0.00 C ATOM 217 C HIS A 30 -4.198 7.398 -1.013 1.00 0.00 C ATOM 218 O HIS A 30 -3.701 7.063 -2.091 1.00 0.00 O ATOM 219 CB HIS A 30 -2.996 7.173 1.273 1.00 0.00 C ATOM 220 CG HIS A 30 -3.497 8.340 2.123 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.462 9.657 1.697 1.00 0.00 N ATOM 222 CD2 HIS A 30 -4.034 8.257 3.420 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.021 10.259 2.792 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.391 9.512 3.869 1.00 0.00 N ATOM 0 H HIS A 30 -2.570 5.035 0.268 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.051 6.528 0.705 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.636 6.390 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.140 7.514 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.150 7.343 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.169 11.329 2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.811 9.798 4.753 1.00 0.00 H new ATOM 225 N ASP A 31 -4.905 8.527 -0.885 1.00 0.00 N ATOM 226 CA ASP A 31 -5.028 9.538 -1.958 1.00 0.00 C ATOM 227 C ASP A 31 -3.728 10.431 -1.956 1.00 0.00 C ATOM 228 O ASP A 31 -2.694 9.979 -2.453 1.00 0.00 O ATOM 229 CB ASP A 31 -6.418 10.231 -1.832 1.00 0.00 C ATOM 230 CG ASP A 31 -6.782 11.021 -0.568 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.366 10.754 0.554 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.636 12.050 -0.835 1.00 0.00 O ATOM 0 H ASP A 31 -5.412 8.772 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.047 9.128 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.515 10.913 -2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.176 9.458 -1.958 1.00 0.00 H new ATOM 233 N THR A 32 -3.744 11.658 -1.407 1.00 0.00 N ATOM 234 CA THR A 32 -2.521 12.508 -1.256 1.00 0.00 C ATOM 235 C THR A 32 -2.718 13.425 -0.006 1.00 0.00 C ATOM 236 O THR A 32 -3.287 14.516 -0.089 1.00 0.00 O ATOM 237 CB THR A 32 -2.150 13.347 -2.527 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.293 13.959 -3.108 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.484 12.528 -3.639 1.00 0.00 C ATOM 0 H THR A 32 -4.593 12.098 -1.053 1.00 0.00 H new ATOM 0 HA THR A 32 -1.670 11.840 -1.121 1.00 0.00 H new ATOM 0 HB THR A 32 -1.445 14.089 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.803 14.426 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.258 13.178 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.561 12.087 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.159 11.736 -3.962 1.00 0.00 H new ATOM 240 N ILE A 33 -2.278 12.949 1.176 1.00 0.00 N ATOM 241 CA ILE A 33 -2.265 13.715 2.480 1.00 0.00 C ATOM 242 C ILE A 33 -3.678 13.990 3.135 1.00 0.00 C ATOM 243 O ILE A 33 -3.750 14.007 4.366 1.00 0.00 O ATOM 244 CB ILE A 33 -1.321 14.976 2.374 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.161 14.594 2.034 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.279 15.839 3.663 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.794 15.524 0.990 1.00 0.00 C ATOM 0 H ILE A 33 -1.910 12.003 1.274 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.828 13.045 3.220 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.766 15.554 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.756 14.622 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.191 13.569 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.610 16.686 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.281 16.204 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.917 15.234 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.819 15.209 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.219 15.477 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.794 16.547 1.366 1.00 0.00 H new ATOM 248 N LEU A 34 -4.786 14.163 2.385 1.00 0.00 N ATOM 249 CA LEU A 34 -6.157 14.316 2.962 1.00 0.00 C ATOM 250 C LEU A 34 -6.731 12.922 3.438 1.00 0.00 C ATOM 251 O LEU A 34 -6.089 12.277 4.273 1.00 0.00 O ATOM 252 CB LEU A 34 -6.967 15.114 1.889 1.00 0.00 C ATOM 253 CG LEU A 34 -8.318 15.725 2.353 1.00 0.00 C ATOM 254 CD1 LEU A 34 -8.120 16.921 3.301 1.00 0.00 C ATOM 255 CD2 LEU A 34 -9.133 16.186 1.135 1.00 0.00 C ATOM 0 H LEU A 34 -4.766 14.202 1.366 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.200 14.886 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.337 15.922 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.164 14.450 1.047 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.852 14.945 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.092 17.314 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.573 16.597 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.554 17.700 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.078 16.613 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.570 16.939 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.330 15.333 0.485 1.00 0.00 H new ATOM 256 N SER A 35 -7.901 12.425 2.979 1.00 0.00 N ATOM 257 CA SER A 35 -8.411 11.086 3.407 1.00 0.00 C ATOM 258 C SER A 35 -9.515 10.473 2.483 1.00 0.00 C ATOM 259 O SER A 35 -10.720 10.688 2.651 1.00 0.00 O ATOM 260 CB SER A 35 -8.925 11.145 4.879 1.00 0.00 C ATOM 261 OG SER A 35 -10.098 11.955 5.012 1.00 0.00 O ATOM 0 H SER A 35 -8.508 12.915 2.322 1.00 0.00 H new ATOM 0 HA SER A 35 -7.554 10.417 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.142 10.135 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.138 11.541 5.521 1.00 0.00 H new ATOM 0 HG SER A 35 -10.717 11.758 4.278 1.00 0.00 H new ATOM 262 N LEU A 36 -9.071 9.665 1.518 1.00 0.00 N ATOM 263 CA LEU A 36 -9.948 8.856 0.627 1.00 0.00 C ATOM 264 C LEU A 36 -9.075 7.611 0.263 1.00 0.00 C ATOM 265 O LEU A 36 -8.376 7.605 -0.754 1.00 0.00 O ATOM 266 CB LEU A 36 -10.437 9.708 -0.581 1.00 0.00 C ATOM 267 CG LEU A 36 -11.393 9.004 -1.579 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.763 8.676 -0.959 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.606 9.891 -2.816 1.00 0.00 C ATOM 0 H LEU A 36 -8.078 9.543 1.319 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.880 8.527 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.940 10.594 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.562 10.054 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.919 8.063 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.391 8.185 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.626 8.013 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.244 9.597 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.278 9.389 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.043 10.842 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.648 10.072 -3.304 1.00 0.00 H new ATOM 270 N SER A 37 -9.061 6.586 1.136 1.00 0.00 N ATOM 271 CA SER A 37 -8.158 5.411 0.974 1.00 0.00 C ATOM 272 C SER A 37 -8.906 4.139 0.462 1.00 0.00 C ATOM 273 O SER A 37 -9.963 3.742 0.961 1.00 0.00 O ATOM 274 CB SER A 37 -7.431 5.180 2.321 1.00 0.00 C ATOM 275 OG SER A 37 -6.752 6.366 2.745 1.00 0.00 O ATOM 0 H SER A 37 -9.659 6.540 1.961 1.00 0.00 H new ATOM 0 HA SER A 37 -7.423 5.620 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.152 4.878 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.716 4.364 2.218 1.00 0.00 H new ATOM 0 HG SER A 37 -6.719 6.392 3.724 1.00 0.00 H new ATOM 276 N ARG A 38 -8.328 3.511 -0.566 1.00 0.00 N ATOM 277 CA ARG A 38 -8.878 2.300 -1.231 1.00 0.00 C ATOM 278 C ARG A 38 -7.742 1.237 -1.369 1.00 0.00 C ATOM 279 O ARG A 38 -6.621 1.573 -1.764 1.00 0.00 O ATOM 280 CB ARG A 38 -9.444 2.769 -2.602 1.00 0.00 C ATOM 281 CG ARG A 38 -10.277 1.718 -3.369 1.00 0.00 C ATOM 282 CD ARG A 38 -10.722 2.224 -4.751 1.00 0.00 C ATOM 283 NE ARG A 38 -11.601 1.208 -5.382 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.016 1.228 -6.641 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.713 2.164 -7.502 1.00 0.00 N ATOM 286 NH2 ARG A 38 -12.771 0.253 -7.042 1.00 0.00 N ATOM 0 H ARG A 38 -7.449 3.826 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.677 1.826 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.064 3.650 -2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.611 3.079 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.689 0.808 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.156 1.454 -2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.253 3.171 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.852 2.411 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.911 0.431 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.120 2.945 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.069 2.114 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.026 -0.494 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.110 0.233 -8.004 1.00 0.00 H new ATOM 287 N CYS A 39 -7.984 -0.048 -1.054 1.00 0.00 N ATOM 288 CA CYS A 39 -6.941 -1.098 -1.204 1.00 0.00 C ATOM 289 C CYS A 39 -6.512 -1.356 -2.681 1.00 0.00 C ATOM 290 O CYS A 39 -7.275 -1.238 -3.641 1.00 0.00 O ATOM 291 CB CYS A 39 -7.419 -2.387 -0.517 1.00 0.00 C ATOM 292 SG CYS A 39 -7.562 -2.157 1.253 1.00 0.00 S ATOM 0 H CYS A 39 -8.877 -0.389 -0.698 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.038 -0.733 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.384 -2.686 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.719 -3.196 -0.727 1.00 0.00 H new ATOM 293 N ALA A 40 -5.235 -1.695 -2.821 1.00 0.00 N ATOM 294 CA ALA A 40 -4.562 -1.851 -4.128 1.00 0.00 C ATOM 295 C ALA A 40 -3.569 -3.058 -4.193 1.00 0.00 C ATOM 296 O ALA A 40 -3.385 -3.819 -3.237 1.00 0.00 O ATOM 297 CB ALA A 40 -3.887 -0.475 -4.298 1.00 0.00 C ATOM 0 H ALA A 40 -4.621 -1.874 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.246 -2.102 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.343 -0.451 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.647 0.306 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.193 -0.306 -3.475 1.00 0.00 H new ATOM 298 N LEU A 41 -2.944 -3.236 -5.362 1.00 0.00 N ATOM 299 CA LEU A 41 -1.906 -4.283 -5.570 1.00 0.00 C ATOM 300 C LEU A 41 -0.496 -3.843 -5.043 1.00 0.00 C ATOM 301 O LEU A 41 -0.129 -2.663 -5.056 1.00 0.00 O ATOM 302 CB LEU A 41 -1.826 -4.608 -7.095 1.00 0.00 C ATOM 303 CG LEU A 41 -3.043 -5.305 -7.760 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.834 -5.387 -9.281 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.281 -6.726 -7.219 1.00 0.00 C ATOM 0 H LEU A 41 -3.132 -2.671 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.194 -5.166 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.646 -3.673 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.952 -5.239 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.919 -4.701 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.692 -5.877 -9.740 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.730 -4.382 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.932 -5.960 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.144 -7.166 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.400 -7.340 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.468 -6.680 -6.146 1.00 0.00 H new ATOM 306 N LYS A 42 0.298 -4.824 -4.594 1.00 0.00 N ATOM 307 CA LYS A 42 1.714 -4.592 -4.183 1.00 0.00 C ATOM 308 C LYS A 42 2.655 -4.420 -5.432 1.00 0.00 C ATOM 309 O LYS A 42 2.395 -4.943 -6.522 1.00 0.00 O ATOM 310 CB LYS A 42 2.141 -5.760 -3.254 1.00 0.00 C ATOM 311 CG LYS A 42 1.585 -5.663 -1.812 1.00 0.00 C ATOM 312 CD LYS A 42 2.191 -6.675 -0.822 1.00 0.00 C ATOM 313 CE LYS A 42 1.723 -8.124 -1.023 1.00 0.00 C ATOM 314 NZ LYS A 42 2.363 -8.974 0.000 1.00 0.00 N ATOM 0 H LYS A 42 -0.005 -5.793 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 42 1.802 -3.656 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.810 -6.700 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.230 -5.794 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.762 -4.656 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.505 -5.807 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.277 -6.642 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.943 -6.364 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.638 -8.186 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.987 -8.471 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.966 -9.934 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.388 -9.014 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.187 -8.574 0.944 1.00 0.00 H new ATOM 315 N ALA A 43 3.770 -3.694 -5.266 1.00 0.00 N ATOM 316 CA ALA A 43 4.660 -3.337 -6.396 1.00 0.00 C ATOM 317 C ALA A 43 5.603 -4.466 -6.939 1.00 0.00 C ATOM 318 O ALA A 43 5.949 -5.450 -6.278 1.00 0.00 O ATOM 319 CB ALA A 43 5.459 -2.119 -5.893 1.00 0.00 C ATOM 0 H ALA A 43 4.083 -3.339 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 43 4.046 -3.135 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.146 -1.788 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.772 -1.309 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.025 -2.397 -5.004 1.00 0.00 H new ATOM 320 N ARG A 44 6.004 -4.259 -8.198 1.00 0.00 N ATOM 321 CA ARG A 44 6.911 -5.164 -8.956 1.00 0.00 C ATOM 322 C ARG A 44 8.238 -4.441 -9.345 1.00 0.00 C ATOM 323 O ARG A 44 8.403 -3.232 -9.164 1.00 0.00 O ATOM 324 CB ARG A 44 6.114 -5.724 -10.174 1.00 0.00 C ATOM 325 CG ARG A 44 5.334 -7.003 -9.800 1.00 0.00 C ATOM 326 CD ARG A 44 4.416 -7.569 -10.894 1.00 0.00 C ATOM 327 NE ARG A 44 5.203 -8.283 -11.932 1.00 0.00 N ATOM 328 CZ ARG A 44 4.684 -8.998 -12.923 1.00 0.00 C ATOM 329 NH1 ARG A 44 3.401 -9.184 -13.102 1.00 0.00 N ATOM 330 NH2 ARG A 44 5.499 -9.547 -13.767 1.00 0.00 N ATOM 0 H ARG A 44 5.709 -3.446 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 44 7.230 -6.005 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.419 -4.966 -10.535 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.802 -5.942 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.051 -7.774 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.730 -6.793 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.691 -8.251 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.851 -6.759 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 44 6.220 -8.219 -11.879 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.730 -8.767 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.072 -9.746 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.506 -9.423 -13.658 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.134 -10.103 -14.540 1.00 0.00 H new ATOM 331 N GLU A 45 9.195 -5.211 -9.885 1.00 0.00 N ATOM 332 CA GLU A 45 10.579 -4.734 -10.180 1.00 0.00 C ATOM 333 C GLU A 45 10.693 -3.376 -10.954 1.00 0.00 C ATOM 334 O GLU A 45 10.005 -3.127 -11.945 1.00 0.00 O ATOM 335 CB GLU A 45 11.376 -5.871 -10.879 1.00 0.00 C ATOM 336 CG GLU A 45 12.916 -5.628 -10.889 1.00 0.00 C ATOM 337 CD GLU A 45 13.764 -6.872 -11.110 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.895 -7.186 -12.426 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.273 -7.519 -10.200 1.00 0.00 O ATOM 0 H GLU A 45 9.042 -6.188 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 45 11.022 -4.495 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.167 -6.815 -10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.025 -5.974 -11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.149 -4.905 -11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.203 -5.175 -9.940 1.00 0.00 H new ATOM 340 N ASN A 46 11.571 -2.509 -10.423 1.00 0.00 N ATOM 341 CA ASN A 46 11.772 -1.097 -10.894 1.00 0.00 C ATOM 342 C ASN A 46 10.608 -0.098 -10.521 1.00 0.00 C ATOM 343 O ASN A 46 10.574 1.012 -11.059 1.00 0.00 O ATOM 344 CB ASN A 46 12.184 -1.026 -12.402 1.00 0.00 C ATOM 345 CG ASN A 46 13.498 -1.717 -12.771 1.00 0.00 C ATOM 346 OD1 ASN A 46 13.545 -2.842 -13.249 1.00 0.00 O ATOM 347 ND2 ASN A 46 14.616 -1.068 -12.589 1.00 0.00 N ATOM 0 H ASN A 46 12.178 -2.757 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 46 12.621 -0.731 -10.316 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.385 -1.467 -12.998 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.255 0.023 -12.690 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.504 -1.500 -12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.602 -0.129 -12.192 1.00 0.00 H new ATOM 348 N SER A 47 9.736 -0.414 -9.537 1.00 0.00 N ATOM 349 CA SER A 47 8.665 0.506 -9.068 1.00 0.00 C ATOM 350 C SER A 47 8.878 0.973 -7.587 1.00 0.00 C ATOM 351 O SER A 47 9.471 0.293 -6.744 1.00 0.00 O ATOM 352 CB SER A 47 7.310 -0.208 -9.278 1.00 0.00 C ATOM 353 OG SER A 47 6.225 0.698 -9.058 1.00 0.00 O ATOM 0 H SER A 47 9.751 -1.308 -9.046 1.00 0.00 H new ATOM 0 HA SER A 47 8.689 1.428 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.257 -0.609 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.229 -1.054 -8.596 1.00 0.00 H new ATOM 0 HG SER A 47 5.375 0.230 -9.197 1.00 0.00 H new ATOM 354 N GLU A 48 8.366 2.174 -7.298 1.00 0.00 N ATOM 355 CA GLU A 48 8.481 2.851 -5.982 1.00 0.00 C ATOM 356 C GLU A 48 7.508 2.268 -4.897 1.00 0.00 C ATOM 357 O GLU A 48 6.314 2.573 -4.839 1.00 0.00 O ATOM 358 CB GLU A 48 8.204 4.364 -6.227 1.00 0.00 C ATOM 359 CG GLU A 48 9.361 5.166 -6.874 1.00 0.00 C ATOM 360 CD GLU A 48 9.076 6.657 -7.009 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.368 6.952 -8.131 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.441 7.498 -6.196 1.00 0.00 O ATOM 0 H GLU A 48 7.846 2.723 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 48 9.480 2.687 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.324 4.454 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.955 4.828 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.263 5.031 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.568 4.754 -7.862 1.00 0.00 H new ATOM 363 N CYS A 49 8.080 1.447 -4.021 1.00 0.00 N ATOM 364 CA CYS A 49 7.380 0.819 -2.871 1.00 0.00 C ATOM 365 C CYS A 49 7.616 1.554 -1.511 1.00 0.00 C ATOM 366 O CYS A 49 8.644 2.195 -1.259 1.00 0.00 O ATOM 367 CB CYS A 49 7.894 -0.657 -2.806 1.00 0.00 C ATOM 368 SG CYS A 49 8.393 -1.163 -1.134 1.00 0.00 S ATOM 0 H CYS A 49 9.064 1.185 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 49 6.303 0.877 -3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.110 -1.325 -3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.741 -0.771 -3.482 1.00 0.00 H new ATOM 369 N SER A 50 6.671 1.360 -0.577 1.00 0.00 N ATOM 370 CA SER A 50 6.821 1.828 0.829 1.00 0.00 C ATOM 371 C SER A 50 7.670 0.747 1.576 1.00 0.00 C ATOM 372 O SER A 50 7.155 -0.277 2.034 1.00 0.00 O ATOM 373 CB SER A 50 5.423 2.046 1.451 1.00 0.00 C ATOM 374 OG SER A 50 5.524 2.502 2.803 1.00 0.00 O ATOM 0 H SER A 50 5.789 0.882 -0.761 1.00 0.00 H new ATOM 0 HA SER A 50 7.334 2.787 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.868 2.774 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.859 1.114 1.420 1.00 0.00 H new ATOM 0 HG SER A 50 4.664 2.376 3.256 1.00 0.00 H new ATOM 375 N ALA A 51 8.986 0.984 1.687 1.00 0.00 N ATOM 376 CA ALA A 51 9.933 -0.023 2.242 1.00 0.00 C ATOM 377 C ALA A 51 9.872 -0.239 3.792 1.00 0.00 C ATOM 378 O ALA A 51 9.855 -1.378 4.263 1.00 0.00 O ATOM 379 CB ALA A 51 11.316 0.466 1.769 1.00 0.00 C ATOM 0 H ALA A 51 9.428 1.859 1.403 1.00 0.00 H new ATOM 0 HA ALA A 51 9.674 -1.018 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.086 -0.216 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.339 0.494 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.503 1.465 2.162 1.00 0.00 H new ATOM 380 N PHE A 52 9.865 0.849 4.571 1.00 0.00 N ATOM 381 CA PHE A 52 9.658 0.811 6.040 1.00 0.00 C ATOM 382 C PHE A 52 8.123 0.908 6.357 1.00 0.00 C ATOM 383 O PHE A 52 7.341 1.487 5.588 1.00 0.00 O ATOM 384 CB PHE A 52 10.500 1.959 6.679 1.00 0.00 C ATOM 385 CG PHE A 52 10.080 3.410 6.356 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.519 4.024 5.178 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.184 4.087 7.190 1.00 0.00 C ATOM 388 CE1 PHE A 52 10.060 5.292 4.833 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.736 5.360 6.849 1.00 0.00 C ATOM 390 CZ PHE A 52 9.179 5.965 5.676 1.00 0.00 C ATOM 0 H PHE A 52 10.003 1.791 4.206 1.00 0.00 H new ATOM 0 HA PHE A 52 9.999 -0.130 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.475 1.834 7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.537 1.831 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.218 3.512 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.839 3.621 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.387 5.753 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.044 5.879 7.495 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.839 6.957 5.419 1.00 0.00 H new ATOM 391 N THR A 53 7.689 0.359 7.500 1.00 0.00 N ATOM 392 CA THR A 53 6.258 0.459 7.929 1.00 0.00 C ATOM 393 C THR A 53 6.123 1.041 9.369 1.00 0.00 C ATOM 394 O THR A 53 6.939 0.841 10.272 1.00 0.00 O ATOM 395 CB THR A 53 5.476 -0.886 7.808 1.00 0.00 C ATOM 396 OG1 THR A 53 6.076 -1.920 8.575 1.00 0.00 O ATOM 397 CG2 THR A 53 5.380 -1.399 6.367 1.00 0.00 C ATOM 0 H THR A 53 8.287 -0.155 8.147 1.00 0.00 H new ATOM 0 HA THR A 53 5.797 1.155 7.228 1.00 0.00 H new ATOM 0 HB THR A 53 4.479 -0.653 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.557 -2.745 8.475 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.825 -2.337 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.864 -0.662 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.382 -1.564 5.972 1.00 0.00 H new ATOM 398 N LEU A 54 5.025 1.776 9.529 1.00 0.00 N ATOM 399 CA LEU A 54 4.581 2.372 10.825 1.00 0.00 C ATOM 400 C LEU A 54 3.359 1.630 11.463 1.00 0.00 C ATOM 401 O LEU A 54 3.345 1.259 12.637 1.00 0.00 O ATOM 402 CB LEU A 54 4.400 3.909 10.560 1.00 0.00 C ATOM 403 CG LEU A 54 3.130 4.485 9.854 1.00 0.00 C ATOM 404 CD1 LEU A 54 3.118 6.019 9.944 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.983 4.092 8.370 1.00 0.00 C ATOM 0 H LEU A 54 4.394 1.989 8.757 1.00 0.00 H new ATOM 0 HA LEU A 54 5.327 2.240 11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.474 4.405 11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.259 4.230 9.971 1.00 0.00 H new ATOM 0 HG LEU A 54 2.290 4.041 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.228 6.406 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.111 6.322 10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.007 6.419 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.074 4.537 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.845 4.454 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.925 3.007 8.285 1.00 0.00 H new ATOM 406 N TYR A 55 2.319 1.490 10.652 1.00 0.00 N ATOM 407 CA TYR A 55 0.989 0.932 10.991 1.00 0.00 C ATOM 408 C TYR A 55 0.244 0.612 9.641 1.00 0.00 C ATOM 409 O TYR A 55 -0.216 -0.507 9.405 1.00 0.00 O ATOM 410 CB TYR A 55 0.280 1.944 11.945 1.00 0.00 C ATOM 411 CG TYR A 55 -1.192 1.655 12.211 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.568 0.614 13.061 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.165 2.384 11.526 1.00 0.00 C ATOM 414 CE1 TYR A 55 -2.918 0.306 13.225 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.512 2.077 11.694 1.00 0.00 C ATOM 416 CZ TYR A 55 -3.889 1.039 12.543 1.00 0.00 C ATOM 417 OH TYR A 55 -5.214 0.732 12.694 1.00 0.00 O ATOM 0 H TYR A 55 2.371 1.777 9.675 1.00 0.00 H new ATOM 0 HA TYR A 55 1.023 -0.011 11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.810 1.955 12.897 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.367 2.944 11.520 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.815 0.048 13.590 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.873 3.187 10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.212 -0.501 13.880 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.265 2.643 11.166 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.755 1.341 12.149 1.00 0.00 H new ATOM 418 N GLY A 56 0.142 1.633 8.773 1.00 0.00 N ATOM 419 CA GLY A 56 -0.414 1.504 7.414 1.00 0.00 C ATOM 420 C GLY A 56 -1.746 2.206 7.141 1.00 0.00 C ATOM 421 O GLY A 56 -2.824 1.720 7.464 1.00 0.00 O ATOM 0 H GLY A 56 0.446 2.581 8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.323 1.888 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.539 0.443 7.198 1.00 0.00 H new ATOM 422 N VAL A 57 -1.711 3.419 6.622 1.00 0.00 N ATOM 423 CA VAL A 57 -2.166 3.620 5.207 1.00 0.00 C ATOM 424 C VAL A 57 -0.922 4.095 4.386 1.00 0.00 C ATOM 425 O VAL A 57 -0.101 4.908 4.827 1.00 0.00 O ATOM 426 CB VAL A 57 -3.381 4.583 5.054 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.999 4.517 3.637 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.543 4.218 5.983 1.00 0.00 C ATOM 0 H VAL A 57 -1.394 4.258 7.107 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.548 2.675 4.822 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.968 5.565 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.843 5.204 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.248 4.798 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.343 3.502 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.362 4.921 5.835 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.886 3.208 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.209 4.264 7.019 1.00 0.00 H new ATOM 429 N TYR A 58 -0.806 3.583 3.160 1.00 0.00 N ATOM 430 CA TYR A 58 0.389 3.790 2.309 1.00 0.00 C ATOM 431 C TYR A 58 0.091 4.569 1.002 1.00 0.00 C ATOM 432 O TYR A 58 -0.859 4.260 0.286 1.00 0.00 O ATOM 433 CB TYR A 58 0.919 2.357 2.002 1.00 0.00 C ATOM 434 CG TYR A 58 1.364 1.511 3.216 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.389 1.972 4.047 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.660 0.354 3.572 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.747 1.260 5.188 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.033 -0.368 4.706 1.00 0.00 C ATOM 439 CZ TYR A 58 2.071 0.088 5.513 1.00 0.00 C ATOM 440 OH TYR A 58 2.333 -0.532 6.703 1.00 0.00 O ATOM 0 H TYR A 58 -1.530 3.014 2.721 1.00 0.00 H new ATOM 0 HA TYR A 58 1.122 4.409 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.138 1.811 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.764 2.445 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.907 2.887 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.172 0.021 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.547 1.616 5.820 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.516 -1.282 4.958 1.00 0.00 H new ATOM 0 HH TYR A 58 1.779 -1.337 6.782 1.00 0.00 H new ATOM 441 N TYR A 59 0.935 5.539 0.633 1.00 0.00 N ATOM 442 CA TYR A 59 0.804 6.264 -0.678 1.00 0.00 C ATOM 443 C TYR A 59 1.019 5.329 -1.937 1.00 0.00 C ATOM 444 O TYR A 59 0.287 5.436 -2.920 1.00 0.00 O ATOM 445 CB TYR A 59 1.768 7.485 -0.652 1.00 0.00 C ATOM 446 CG TYR A 59 1.506 8.576 0.407 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.298 9.283 0.429 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.470 8.841 1.388 1.00 0.00 C ATOM 449 CE1 TYR A 59 0.040 10.191 1.450 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.207 9.755 2.406 1.00 0.00 C ATOM 451 CZ TYR A 59 0.990 10.429 2.435 1.00 0.00 C ATOM 452 OH TYR A 59 0.722 11.335 3.424 1.00 0.00 O ATOM 0 H TYR A 59 1.718 5.853 1.206 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.222 6.615 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.781 7.111 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.741 7.956 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.435 9.123 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.423 8.334 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.904 10.714 1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.946 9.940 3.171 1.00 0.00 H new ATOM 0 HH TYR A 59 1.486 11.387 4.036 1.00 0.00 H new ATOM 453 N LYS A 60 2.011 4.425 -1.884 1.00 0.00 N ATOM 454 CA LYS A 60 2.263 3.364 -2.894 1.00 0.00 C ATOM 455 C LYS A 60 2.714 2.138 -2.033 1.00 0.00 C ATOM 456 O LYS A 60 3.766 2.168 -1.386 1.00 0.00 O ATOM 457 CB LYS A 60 3.329 3.760 -3.956 1.00 0.00 C ATOM 458 CG LYS A 60 2.885 4.810 -5.001 1.00 0.00 C ATOM 459 CD LYS A 60 1.930 4.247 -6.080 1.00 0.00 C ATOM 460 CE LYS A 60 1.160 5.325 -6.861 1.00 0.00 C ATOM 461 NZ LYS A 60 0.009 5.806 -6.069 1.00 0.00 N ATOM 0 H LYS A 60 2.684 4.405 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 60 1.378 3.161 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.207 4.143 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.639 2.859 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.392 5.635 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.769 5.220 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.507 3.647 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.214 3.578 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.823 6.158 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.812 4.918 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.624 6.362 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.510 4.992 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.350 6.403 -5.288 1.00 0.00 H new ATOM 462 N CYS A 61 1.879 1.091 -1.954 1.00 0.00 N ATOM 463 CA CYS A 61 2.123 -0.097 -1.084 1.00 0.00 C ATOM 464 C CYS A 61 3.514 -0.852 -1.215 1.00 0.00 C ATOM 465 O CYS A 61 4.200 -0.691 -2.231 1.00 0.00 O ATOM 466 CB CYS A 61 0.954 -1.056 -1.412 1.00 0.00 C ATOM 467 SG CYS A 61 -0.586 -0.495 -0.664 1.00 0.00 S ATOM 0 H CYS A 61 1.011 1.032 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 61 2.174 0.255 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.831 -1.126 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.191 -2.057 -1.053 1.00 0.00 H new ATOM 468 N PRO A 62 3.965 -1.692 -0.223 1.00 0.00 N ATOM 469 CA PRO A 62 5.214 -2.508 -0.352 1.00 0.00 C ATOM 470 C PRO A 62 5.357 -3.445 -1.607 1.00 0.00 C ATOM 471 O PRO A 62 4.418 -3.622 -2.387 1.00 0.00 O ATOM 472 CB PRO A 62 5.196 -3.306 0.972 1.00 0.00 C ATOM 473 CG PRO A 62 4.413 -2.447 1.962 1.00 0.00 C ATOM 474 CD PRO A 62 3.322 -1.814 1.106 1.00 0.00 C ATOM 0 HA PRO A 62 6.075 -1.861 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.722 -4.278 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.208 -3.492 1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.992 -3.048 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.047 -1.691 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.429 -2.437 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.016 -0.843 1.496 1.00 0.00 H new ATOM 475 N CYS A 63 6.539 -4.054 -1.802 1.00 0.00 N ATOM 476 CA CYS A 63 6.757 -5.047 -2.893 1.00 0.00 C ATOM 477 C CYS A 63 6.034 -6.417 -2.642 1.00 0.00 C ATOM 478 O CYS A 63 5.878 -6.860 -1.498 1.00 0.00 O ATOM 479 CB CYS A 63 8.283 -5.242 -3.024 1.00 0.00 C ATOM 480 SG CYS A 63 9.123 -3.680 -3.343 1.00 0.00 S ATOM 0 H CYS A 63 7.363 -3.883 -1.225 1.00 0.00 H new ATOM 0 HA CYS A 63 6.321 -4.665 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.674 -5.686 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.493 -5.941 -3.833 1.00 0.00 H new ATOM 481 N GLU A 64 5.584 -7.091 -3.715 1.00 0.00 N ATOM 482 CA GLU A 64 4.902 -8.411 -3.603 1.00 0.00 C ATOM 483 C GLU A 64 5.812 -9.576 -3.067 1.00 0.00 C ATOM 484 O GLU A 64 7.028 -9.582 -3.268 1.00 0.00 O ATOM 485 CB GLU A 64 4.254 -8.722 -4.983 1.00 0.00 C ATOM 486 CG GLU A 64 5.197 -9.022 -6.184 1.00 0.00 C ATOM 487 CD GLU A 64 4.514 -9.485 -7.470 1.00 0.00 C ATOM 488 OE1 GLU A 64 3.326 -9.329 -7.732 1.00 0.00 O ATOM 489 OE2 GLU A 64 5.393 -10.077 -8.322 1.00 0.00 O ATOM 0 H GLU A 64 5.676 -6.751 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 64 4.134 -8.343 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.593 -9.579 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.626 -7.874 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.771 -8.122 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.910 -9.788 -5.878 1.00 0.00 H new ATOM 490 N ARG A 65 5.194 -10.587 -2.430 1.00 0.00 N ATOM 491 CA ARG A 65 5.896 -11.732 -1.746 1.00 0.00 C ATOM 492 C ARG A 65 7.163 -12.418 -2.379 1.00 0.00 C ATOM 493 O ARG A 65 8.080 -12.854 -1.681 1.00 0.00 O ATOM 494 CB ARG A 65 4.759 -12.760 -1.481 1.00 0.00 C ATOM 495 CG ARG A 65 5.102 -13.914 -0.505 1.00 0.00 C ATOM 496 CD ARG A 65 4.117 -15.088 -0.601 1.00 0.00 C ATOM 497 NE ARG A 65 4.398 -15.920 -1.802 1.00 0.00 N ATOM 498 CZ ARG A 65 3.714 -17.000 -2.160 1.00 0.00 C ATOM 499 NH1 ARG A 65 2.688 -17.472 -1.502 1.00 0.00 N ATOM 500 NH2 ARG A 65 4.091 -17.626 -3.230 1.00 0.00 N ATOM 0 H ARG A 65 4.178 -10.649 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 65 6.393 -11.304 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.895 -12.224 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.459 -13.194 -2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.110 -14.273 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.106 -13.531 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.188 -15.702 0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.096 -14.709 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 65 5.177 -15.639 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.366 -17.004 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.209 -18.308 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.889 -17.285 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.590 -18.460 -3.536 1.00 0.00 H new ATOM 501 N GLY A 66 7.159 -12.512 -3.698 1.00 0.00 N ATOM 502 CA GLY A 66 8.321 -13.009 -4.492 1.00 0.00 C ATOM 503 C GLY A 66 9.625 -12.166 -4.572 1.00 0.00 C ATOM 504 O GLY A 66 10.676 -12.749 -4.842 1.00 0.00 O ATOM 0 H GLY A 66 6.357 -12.250 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.591 -13.987 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.973 -13.165 -5.513 1.00 0.00 H new ATOM 505 N LEU A 67 9.582 -10.833 -4.390 1.00 0.00 N ATOM 506 CA LEU A 67 10.802 -9.968 -4.436 1.00 0.00 C ATOM 507 C LEU A 67 10.882 -8.905 -3.278 1.00 0.00 C ATOM 508 O LEU A 67 9.933 -8.678 -2.523 1.00 0.00 O ATOM 509 CB LEU A 67 10.949 -9.403 -5.883 1.00 0.00 C ATOM 510 CG LEU A 67 10.242 -8.101 -6.322 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.748 -7.695 -7.712 1.00 0.00 C ATOM 512 CD2 LEU A 67 8.720 -8.245 -6.360 1.00 0.00 C ATOM 0 H LEU A 67 8.719 -10.320 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 67 11.684 -10.572 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.015 -9.258 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.617 -10.187 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 67 10.479 -7.334 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.252 -6.777 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.825 -7.531 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.527 -8.489 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.273 -7.302 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.446 -9.029 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.354 -8.507 -5.367 1.00 0.00 H new ATOM 513 N THR A 68 12.050 -8.252 -3.131 1.00 0.00 N ATOM 514 CA THR A 68 12.334 -7.316 -2.002 1.00 0.00 C ATOM 515 C THR A 68 12.153 -5.802 -2.345 1.00 0.00 C ATOM 516 O THR A 68 12.218 -5.376 -3.498 1.00 0.00 O ATOM 517 CB THR A 68 13.802 -7.625 -1.513 1.00 0.00 C ATOM 518 OG1 THR A 68 13.804 -7.668 -0.093 1.00 0.00 O ATOM 519 CG2 THR A 68 14.914 -6.630 -1.883 1.00 0.00 C ATOM 0 H THR A 68 12.828 -8.351 -3.784 1.00 0.00 H new ATOM 0 HA THR A 68 11.597 -7.489 -1.217 1.00 0.00 H new ATOM 0 HB THR A 68 14.038 -8.557 -2.028 1.00 0.00 H new ATOM 0 HG1 THR A 68 14.710 -7.861 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.864 -6.978 -1.477 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.989 -6.555 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.679 -5.650 -1.467 1.00 0.00 H new ATOM 520 N CYS A 69 11.951 -4.994 -1.300 1.00 0.00 N ATOM 521 CA CYS A 69 11.942 -3.513 -1.410 1.00 0.00 C ATOM 522 C CYS A 69 13.372 -2.965 -1.065 1.00 0.00 C ATOM 523 O CYS A 69 13.908 -3.270 0.007 1.00 0.00 O ATOM 524 CB CYS A 69 10.811 -2.999 -0.503 1.00 0.00 C ATOM 525 SG CYS A 69 10.382 -1.302 -0.933 1.00 0.00 S ATOM 0 H CYS A 69 11.789 -5.336 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 69 11.735 -3.155 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.935 -3.639 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.122 -3.049 0.540 1.00 0.00 H new ATOM 526 N GLU A 70 13.988 -2.122 -1.907 1.00 0.00 N ATOM 527 CA GLU A 70 15.364 -1.600 -1.653 1.00 0.00 C ATOM 528 C GLU A 70 15.236 -0.233 -0.905 1.00 0.00 C ATOM 529 O GLU A 70 15.004 0.809 -1.522 1.00 0.00 O ATOM 530 CB GLU A 70 16.076 -1.518 -3.031 1.00 0.00 C ATOM 531 CG GLU A 70 17.577 -1.141 -2.986 1.00 0.00 C ATOM 532 CD GLU A 70 18.241 -1.163 -4.360 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.908 -0.083 -5.118 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.989 -2.054 -4.742 1.00 0.00 O ATOM 0 H GLU A 70 13.567 -1.780 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 70 15.968 -2.241 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.977 -2.482 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.554 -0.786 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.683 -0.146 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.100 -1.833 -2.325 1.00 0.00 H new ATOM 535 N GLY A 71 15.397 -0.265 0.431 1.00 0.00 N ATOM 536 CA GLY A 71 15.166 0.901 1.342 1.00 0.00 C ATOM 537 C GLY A 71 15.953 2.232 1.287 1.00 0.00 C ATOM 538 O GLY A 71 16.158 2.866 2.322 1.00 0.00 O ATOM 0 H GLY A 71 15.694 -1.106 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.115 1.168 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.290 0.520 2.356 1.00 0.00 H new ATOM 539 N ASP A 72 16.272 2.716 0.089 1.00 0.00 N ATOM 540 CA ASP A 72 16.714 4.116 -0.146 1.00 0.00 C ATOM 541 C ASP A 72 15.439 5.012 -0.342 1.00 0.00 C ATOM 542 O ASP A 72 15.027 5.297 -1.468 1.00 0.00 O ATOM 543 CB ASP A 72 17.649 4.093 -1.384 1.00 0.00 C ATOM 544 CG ASP A 72 19.023 3.470 -1.160 1.00 0.00 C ATOM 545 OD1 ASP A 72 19.963 4.060 -0.641 1.00 0.00 O ATOM 546 OD2 ASP A 72 19.091 2.185 -1.600 1.00 0.00 O ATOM 0 H ASP A 72 16.235 2.155 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 72 17.269 4.539 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.149 3.548 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.786 5.117 -1.732 1.00 0.00 H new ATOM 547 N LYS A 73 14.815 5.450 0.767 1.00 0.00 N ATOM 548 CA LYS A 73 13.516 6.193 0.751 1.00 0.00 C ATOM 549 C LYS A 73 13.516 7.713 0.333 1.00 0.00 C ATOM 550 O LYS A 73 12.860 8.552 0.955 1.00 0.00 O ATOM 551 CB LYS A 73 12.832 5.882 2.122 1.00 0.00 C ATOM 552 CG LYS A 73 13.551 6.159 3.473 1.00 0.00 C ATOM 553 CD LYS A 73 13.699 7.644 3.849 1.00 0.00 C ATOM 554 CE LYS A 73 14.258 7.813 5.269 1.00 0.00 C ATOM 555 NZ LYS A 73 14.328 9.247 5.604 1.00 0.00 N ATOM 0 H LYS A 73 15.187 5.305 1.705 1.00 0.00 H new ATOM 0 HA LYS A 73 12.932 5.828 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.896 6.440 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.573 4.823 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.002 5.653 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.544 5.710 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.360 8.137 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.729 8.137 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.623 7.292 5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.249 7.364 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.874 9.373 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.793 9.762 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.366 9.619 5.739 1.00 0.00 H new ATOM 556 N SER A 74 14.165 8.034 -0.803 1.00 0.00 N ATOM 557 CA SER A 74 14.214 9.376 -1.461 1.00 0.00 C ATOM 558 C SER A 74 14.797 10.544 -0.590 1.00 0.00 C ATOM 559 O SER A 74 15.939 10.956 -0.799 1.00 0.00 O ATOM 560 CB SER A 74 12.830 9.652 -2.115 1.00 0.00 C ATOM 561 OG SER A 74 12.857 10.846 -2.898 1.00 0.00 O ATOM 0 H SER A 74 14.700 7.337 -1.321 1.00 0.00 H new ATOM 0 HA SER A 74 14.968 9.343 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.547 8.808 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.069 9.740 -1.339 1.00 0.00 H new ATOM 0 HG SER A 74 11.975 10.994 -3.299 1.00 0.00 H new ATOM 562 N LEU A 75 14.000 11.071 0.356 1.00 0.00 N ATOM 563 CA LEU A 75 14.360 12.164 1.323 1.00 0.00 C ATOM 564 C LEU A 75 14.661 13.580 0.704 1.00 0.00 C ATOM 565 O LEU A 75 14.015 14.569 1.063 1.00 0.00 O ATOM 566 CB LEU A 75 15.452 11.644 2.313 1.00 0.00 C ATOM 567 CG LEU A 75 15.853 12.566 3.495 1.00 0.00 C ATOM 568 CD1 LEU A 75 14.674 12.905 4.425 1.00 0.00 C ATOM 569 CD2 LEU A 75 16.965 11.897 4.319 1.00 0.00 C ATOM 0 H LEU A 75 13.043 10.744 0.487 1.00 0.00 H new ATOM 0 HA LEU A 75 13.453 12.388 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.105 10.698 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 75 16.351 11.428 1.737 1.00 0.00 H new ATOM 0 HG LEU A 75 16.201 13.502 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.021 13.552 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.898 13.417 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.268 11.986 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.244 12.547 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.606 10.945 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 75 17.834 11.724 3.684 1.00 0.00 H new ATOM 570 N VAL A 76 15.632 13.686 -0.209 1.00 0.00 N ATOM 571 CA VAL A 76 16.073 14.977 -0.822 1.00 0.00 C ATOM 572 C VAL A 76 15.181 15.296 -2.078 1.00 0.00 C ATOM 573 O VAL A 76 15.564 15.098 -3.235 1.00 0.00 O ATOM 574 CB VAL A 76 17.621 14.898 -1.099 1.00 0.00 C ATOM 575 CG1 VAL A 76 18.202 16.164 -1.775 1.00 0.00 C ATOM 576 CG2 VAL A 76 18.481 14.673 0.172 1.00 0.00 C ATOM 0 H VAL A 76 16.149 12.879 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 76 15.929 15.823 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 76 17.685 14.037 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.273 16.033 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.710 16.322 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.033 17.029 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.535 14.630 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.322 15.495 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.192 13.735 0.646 1.00 0.00 H new ATOM 577 N GLY A 77 13.969 15.808 -1.819 1.00 0.00 N ATOM 578 CA GLY A 77 13.004 16.179 -2.893 1.00 0.00 C ATOM 579 C GLY A 77 11.934 17.192 -2.445 1.00 0.00 C ATOM 580 O GLY A 77 10.772 16.827 -2.268 1.00 0.00 O ATOM 0 H GLY A 77 13.622 15.979 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.555 16.596 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.509 15.276 -3.251 1.00 0.00 H new ATOM 581 N SER A 78 12.332 18.464 -2.254 1.00 0.00 N ATOM 582 CA SER A 78 11.428 19.584 -1.810 1.00 0.00 C ATOM 583 C SER A 78 10.501 19.344 -0.549 1.00 0.00 C ATOM 584 O SER A 78 9.389 19.876 -0.493 1.00 0.00 O ATOM 585 CB SER A 78 10.639 20.042 -3.070 1.00 0.00 C ATOM 586 OG SER A 78 9.874 21.217 -2.793 1.00 0.00 O ATOM 0 H SER A 78 13.296 18.764 -2.400 1.00 0.00 H new ATOM 0 HA SER A 78 12.070 20.367 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.333 20.239 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.977 19.242 -3.400 1.00 0.00 H new ATOM 0 HG SER A 78 9.470 21.142 -1.903 1.00 0.00 H new ATOM 587 N ILE A 79 10.974 18.588 0.466 1.00 0.00 N ATOM 588 CA ILE A 79 10.188 18.168 1.690 1.00 0.00 C ATOM 589 C ILE A 79 8.723 17.667 1.388 1.00 0.00 C ATOM 590 O ILE A 79 7.698 18.265 1.724 1.00 0.00 O ATOM 591 CB ILE A 79 10.402 19.223 2.833 1.00 0.00 C ATOM 592 CG1 ILE A 79 10.237 18.651 4.275 1.00 0.00 C ATOM 593 CG2 ILE A 79 9.607 20.548 2.698 1.00 0.00 C ATOM 594 CD1 ILE A 79 8.849 18.148 4.718 1.00 0.00 C ATOM 0 H ILE A 79 11.931 18.235 0.476 1.00 0.00 H new ATOM 0 HA ILE A 79 10.590 17.238 2.090 1.00 0.00 H new ATOM 0 HB ILE A 79 11.451 19.479 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.939 17.824 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.546 19.427 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.835 21.197 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.888 21.048 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.539 20.332 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 79 8.904 17.783 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.131 18.966 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 79 8.529 17.338 4.062 1.00 0.00 H new ATOM 595 N THR A 80 8.690 16.513 0.720 1.00 0.00 N ATOM 596 CA THR A 80 7.436 15.881 0.206 1.00 0.00 C ATOM 597 C THR A 80 7.133 14.485 0.835 1.00 0.00 C ATOM 598 O THR A 80 7.969 13.784 1.413 1.00 0.00 O ATOM 599 CB THR A 80 7.470 15.762 -1.361 1.00 0.00 C ATOM 600 OG1 THR A 80 8.697 15.220 -1.840 1.00 0.00 O ATOM 601 CG2 THR A 80 7.240 17.104 -2.054 1.00 0.00 C ATOM 0 H THR A 80 9.529 15.973 0.510 1.00 0.00 H new ATOM 0 HA THR A 80 6.627 16.546 0.510 1.00 0.00 H new ATOM 0 HB THR A 80 6.654 15.083 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.293 15.949 -2.111 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.273 16.966 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.265 17.499 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.018 17.806 -1.754 1.00 0.00 H new ATOM 602 N ASN A 81 5.873 14.080 0.649 1.00 0.00 N ATOM 603 CA ASN A 81 5.342 12.748 1.048 1.00 0.00 C ATOM 604 C ASN A 81 5.815 11.466 0.258 1.00 0.00 C ATOM 605 O ASN A 81 5.376 10.360 0.586 1.00 0.00 O ATOM 606 CB ASN A 81 3.799 12.951 0.972 1.00 0.00 C ATOM 607 CG ASN A 81 3.146 13.016 -0.420 1.00 0.00 C ATOM 608 OD1 ASN A 81 3.276 13.993 -1.146 1.00 0.00 O ATOM 609 ND2 ASN A 81 2.438 12.002 -0.842 1.00 0.00 N ATOM 0 H ASN A 81 5.169 14.672 0.209 1.00 0.00 H new ATOM 0 HA ASN A 81 5.743 12.492 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.328 12.138 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.558 13.875 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.003 12.032 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.320 11.180 -0.249 1.00 0.00 H new ATOM 610 N THR A 82 6.683 11.585 -0.762 1.00 0.00 N ATOM 611 CA THR A 82 7.112 10.436 -1.621 1.00 0.00 C ATOM 612 C THR A 82 8.485 9.863 -1.160 1.00 0.00 C ATOM 613 O THR A 82 9.539 9.976 -1.790 1.00 0.00 O ATOM 614 CB THR A 82 7.127 10.828 -3.122 1.00 0.00 C ATOM 615 OG1 THR A 82 7.999 11.926 -3.376 1.00 0.00 O ATOM 616 CG2 THR A 82 5.738 11.197 -3.648 1.00 0.00 C ATOM 0 H THR A 82 7.113 12.472 -1.024 1.00 0.00 H new ATOM 0 HA THR A 82 6.375 9.642 -1.502 1.00 0.00 H new ATOM 0 HB THR A 82 7.484 9.940 -3.643 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.893 11.720 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.807 11.463 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.067 10.346 -3.531 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.349 12.045 -3.085 1.00 0.00 H new ATOM 617 N ASN A 83 8.383 9.205 -0.018 1.00 0.00 N ATOM 618 CA ASN A 83 9.513 8.534 0.687 1.00 0.00 C ATOM 619 C ASN A 83 9.552 7.010 0.319 1.00 0.00 C ATOM 620 O ASN A 83 9.218 6.145 1.137 1.00 0.00 O ATOM 621 CB ASN A 83 9.392 8.852 2.213 1.00 0.00 C ATOM 622 CG ASN A 83 8.048 8.698 2.953 1.00 0.00 C ATOM 623 OD1 ASN A 83 7.511 9.639 3.522 1.00 0.00 O ATOM 624 ND2 ASN A 83 7.454 7.536 2.981 1.00 0.00 N ATOM 0 H ASN A 83 7.496 9.108 0.476 1.00 0.00 H new ATOM 0 HA ASN A 83 10.482 8.915 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.115 8.220 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.716 9.884 2.351 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.565 7.430 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.879 6.734 2.515 1.00 0.00 H new ATOM 625 N PHE A 84 9.999 6.679 -0.907 1.00 0.00 N ATOM 626 CA PHE A 84 9.922 5.284 -1.429 1.00 0.00 C ATOM 627 C PHE A 84 11.273 4.621 -1.838 1.00 0.00 C ATOM 628 O PHE A 84 12.182 5.250 -2.383 1.00 0.00 O ATOM 629 CB PHE A 84 8.997 5.274 -2.682 1.00 0.00 C ATOM 630 CG PHE A 84 7.572 5.846 -2.571 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.656 5.333 -1.647 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.171 6.863 -3.443 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.359 5.838 -1.594 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.866 7.342 -3.412 1.00 0.00 C ATOM 635 CZ PHE A 84 4.963 6.833 -2.486 1.00 0.00 C ATOM 0 H PHE A 84 10.415 7.346 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 84 9.544 4.696 -0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.510 5.823 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.910 4.240 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.955 4.544 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.879 7.279 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.661 5.459 -0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.555 8.108 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.951 7.210 -2.458 1.00 0.00 H new ATOM 636 N GLY A 85 11.342 3.307 -1.593 1.00 0.00 N ATOM 637 CA GLY A 85 12.472 2.445 -2.026 1.00 0.00 C ATOM 638 C GLY A 85 12.053 1.517 -3.192 1.00 0.00 C ATOM 639 O GLY A 85 10.896 1.099 -3.284 1.00 0.00 O ATOM 0 H GLY A 85 10.616 2.800 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.310 3.069 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.817 1.844 -1.185 1.00 0.00 H new ATOM 640 N ILE A 86 12.979 1.126 -4.073 1.00 0.00 N ATOM 641 CA ILE A 86 12.589 0.487 -5.372 1.00 0.00 C ATOM 642 C ILE A 86 12.555 -1.075 -5.230 1.00 0.00 C ATOM 643 O ILE A 86 13.471 -1.704 -4.698 1.00 0.00 O ATOM 644 CB ILE A 86 13.542 0.932 -6.546 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.714 2.472 -6.733 1.00 0.00 C ATOM 646 CG2 ILE A 86 13.050 0.358 -7.902 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.471 3.236 -7.224 1.00 0.00 C ATOM 0 H ILE A 86 13.984 1.229 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 86 11.585 0.829 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 86 14.512 0.532 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.027 2.901 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.525 2.644 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.723 0.678 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.037 -0.731 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.044 0.724 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.708 4.296 -7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 12.164 2.846 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.659 3.108 -6.508 1.00 0.00 H new ATOM 648 N CYS A 87 11.501 -1.710 -5.758 1.00 0.00 N ATOM 649 CA CYS A 87 11.380 -3.189 -5.798 1.00 0.00 C ATOM 650 C CYS A 87 12.463 -3.909 -6.673 1.00 0.00 C ATOM 651 O CYS A 87 12.619 -3.577 -7.852 1.00 0.00 O ATOM 652 CB CYS A 87 9.969 -3.449 -6.349 1.00 0.00 C ATOM 653 SG CYS A 87 8.696 -2.973 -5.167 1.00 0.00 S ATOM 0 H CYS A 87 10.706 -1.223 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 87 11.543 -3.601 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.832 -2.892 -7.276 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.862 -4.506 -6.593 1.00 0.00 H new ATOM 654 N HIS A 88 13.237 -4.855 -6.109 1.00 0.00 N ATOM 655 CA HIS A 88 14.210 -5.667 -6.878 1.00 0.00 C ATOM 656 C HIS A 88 14.262 -7.128 -6.326 1.00 0.00 C ATOM 657 O HIS A 88 14.063 -7.419 -5.143 1.00 0.00 O ATOM 658 CB HIS A 88 15.601 -4.998 -6.837 1.00 0.00 C ATOM 659 CG HIS A 88 15.793 -3.784 -7.745 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.040 -3.901 -9.105 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.626 -2.434 -7.386 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.995 -2.576 -9.451 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.791 -1.622 -8.493 1.00 0.00 N ATOM 0 H HIS A 88 13.209 -5.080 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 88 13.888 -5.720 -7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.805 -4.694 -5.810 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.349 -5.746 -7.102 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.401 -2.083 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.121 -2.284 -10.483 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.767 -0.605 -8.572 1.00 0.00 H new ATOM 664 N ASN A 89 14.595 -8.067 -7.209 1.00 0.00 N ATOM 665 CA ASN A 89 14.615 -9.524 -6.892 1.00 0.00 C ATOM 666 C ASN A 89 16.061 -10.011 -6.557 1.00 0.00 C ATOM 667 O ASN A 89 16.786 -10.632 -7.338 1.00 0.00 O ATOM 668 CB ASN A 89 13.908 -10.167 -8.098 1.00 0.00 C ATOM 669 CG ASN A 89 13.585 -11.653 -7.989 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.493 -12.047 -7.608 1.00 0.00 O ATOM 671 ND2 ASN A 89 14.497 -12.526 -8.325 1.00 0.00 N ATOM 0 H ASN A 89 14.862 -7.856 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 89 14.088 -9.812 -5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.977 -9.628 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.533 -10.018 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.293 -13.524 -8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.413 -12.210 -8.645 1.00 0.00 H new ATOM 672 N VAL A 90 16.412 -9.710 -5.310 1.00 0.00 N ATOM 673 CA VAL A 90 17.756 -9.954 -4.713 1.00 0.00 C ATOM 674 C VAL A 90 17.639 -11.175 -3.734 1.00 0.00 C ATOM 675 O VAL A 90 17.652 -11.048 -2.505 1.00 0.00 O ATOM 676 CB VAL A 90 18.271 -8.639 -4.020 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.706 -8.773 -3.456 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.274 -7.369 -4.908 1.00 0.00 C ATOM 0 H VAL A 90 15.763 -9.276 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 90 18.497 -10.207 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 90 17.535 -8.513 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.003 -7.833 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.732 -9.570 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.395 -9.011 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.647 -6.523 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.918 -7.531 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.259 -7.159 -5.246 1.00 0.00 H new ATOM 679 N GLY A 91 17.531 -12.379 -4.309 1.00 0.00 N ATOM 680 CA GLY A 91 17.411 -13.650 -3.528 1.00 0.00 C ATOM 681 C GLY A 91 18.722 -14.240 -2.952 1.00 0.00 C ATOM 682 O GLY A 91 19.077 -15.389 -3.219 1.00 0.00 O ATOM 0 H GLY A 91 17.523 -12.516 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.723 -13.477 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.953 -14.402 -4.171 1.00 0.00 H new ATOM 683 N ARG A 92 19.412 -13.451 -2.123 1.00 0.00 N ATOM 684 CA ARG A 92 20.729 -13.822 -1.536 1.00 0.00 C ATOM 685 C ARG A 92 20.556 -14.486 -0.125 1.00 0.00 C ATOM 686 O ARG A 92 20.716 -13.855 0.926 1.00 0.00 O ATOM 687 CB ARG A 92 21.563 -12.510 -1.546 1.00 0.00 C ATOM 688 CG ARG A 92 23.059 -12.672 -1.171 1.00 0.00 C ATOM 689 CD ARG A 92 23.845 -11.346 -1.161 1.00 0.00 C ATOM 690 NE ARG A 92 23.457 -10.508 0.005 1.00 0.00 N ATOM 691 CZ ARG A 92 23.843 -9.255 0.210 1.00 0.00 C ATOM 692 NH1 ARG A 92 24.636 -8.589 -0.589 1.00 0.00 N ATOM 693 NH2 ARG A 92 23.406 -8.654 1.272 1.00 0.00 N ATOM 0 H ARG A 92 19.082 -12.531 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 92 21.253 -14.589 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 92 21.501 -12.067 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.106 -11.803 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 92 23.129 -13.133 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 92 23.529 -13.357 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 92 24.915 -11.553 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.657 -10.800 -2.085 1.00 0.00 H new ATOM 0 HE ARG A 92 22.845 -10.930 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.999 -9.032 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 92 24.891 -7.627 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.787 -9.144 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.682 -7.691 1.463 1.00 0.00 H new ATOM 694 N SER A 93 20.264 -15.798 -0.093 1.00 0.00 N ATOM 695 CA SER A 93 19.984 -16.538 1.172 1.00 0.00 C ATOM 696 C SER A 93 21.255 -16.851 2.030 1.00 0.00 C ATOM 697 O SER A 93 21.577 -17.982 2.398 1.00 0.00 O ATOM 698 CB SER A 93 19.200 -17.804 0.751 1.00 0.00 C ATOM 699 OG SER A 93 18.844 -18.581 1.896 1.00 0.00 O ATOM 0 H SER A 93 20.213 -16.380 -0.929 1.00 0.00 H new ATOM 0 HA SER A 93 19.398 -15.918 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.301 -17.517 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 93 19.806 -18.404 0.072 1.00 0.00 H new ATOM 0 HG SER A 93 19.650 -18.792 2.412 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 21.947 -15.720 2.374 1.00 0.00 O