USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 61 HIS : no HE2:sc= 0.227 K(o=0.44,f=-2.5) USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.214 K(o=0.44,f=-0.46) USER MOD Set 2.1: A 19 TYR OH : rot 165:sc= 0.895 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 168:sc= 0.93 (180deg=-0.406) USER MOD Single : A 1 MET CE :methyl -142:sc= -0.144 (180deg=-0.588) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.7!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.0164 (180deg=-0.215) USER MOD Single : A 7 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 138:sc= 1.19 (180deg=0.687) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0124 (180deg=-0.175) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 71:sc= 1.24 USER MOD Single : A 35 SER OG : rot 72:sc= 1.21 USER MOD Single : A 36 GLN : amide:sc= -1.02 K(o=-1,f=-5.6!) USER MOD Single : A 43 ASN : amide:sc= -0.779 K(o=-0.78,f=-1.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.117 (180deg=-0.412) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.035) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.211 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 63 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-1.1) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.872 -5.281 -2.294 1.00 0.00 N ATOM 2 CA MET A 1 13.893 -4.610 -3.134 1.00 0.00 C ATOM 3 C MET A 1 12.869 -5.628 -3.597 1.00 0.00 C ATOM 4 O MET A 1 13.229 -6.661 -4.168 1.00 0.00 O ATOM 5 CB MET A 1 14.599 -3.953 -4.344 1.00 0.00 C ATOM 6 CG MET A 1 13.720 -3.074 -5.256 1.00 0.00 C ATOM 7 SD MET A 1 12.451 -3.958 -6.209 1.00 0.00 S ATOM 8 CE MET A 1 13.460 -5.107 -7.154 1.00 0.00 C ATOM 0 H1 MET A 1 15.581 -4.593 -1.969 1.00 0.00 H new ATOM 0 H2 MET A 1 14.394 -5.700 -1.471 1.00 0.00 H new ATOM 0 H3 MET A 1 15.342 -6.031 -2.840 1.00 0.00 H new ATOM 0 HA MET A 1 13.390 -3.825 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.421 -3.342 -3.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.040 -4.743 -4.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.228 -2.321 -4.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.368 -2.542 -5.953 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.049 -5.212 -8.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.480 -4.728 -7.217 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.464 -6.079 -6.660 1.00 0.00 H new ATOM 20 N ASN A 2 11.614 -5.368 -3.315 1.00 0.00 N ATOM 21 CA ASN A 2 10.524 -6.200 -3.768 1.00 0.00 C ATOM 22 C ASN A 2 9.284 -5.373 -4.013 1.00 0.00 C ATOM 23 O ASN A 2 8.268 -5.484 -3.306 1.00 0.00 O ATOM 24 CB ASN A 2 10.235 -7.420 -2.847 1.00 0.00 C ATOM 25 CG ASN A 2 9.953 -7.079 -1.377 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.433 -6.082 -0.843 1.00 0.00 O ATOM 27 ND2 ASN A 2 9.215 -7.916 -0.702 1.00 0.00 N ATOM 0 H ASN A 2 11.318 -4.565 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 2 10.845 -6.633 -4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.379 -7.962 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.089 -8.096 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.028 -7.748 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.825 -8.738 -1.163 1.00 0.00 H new ATOM 34 N VAL A 3 9.360 -4.537 -5.037 1.00 0.00 N ATOM 35 CA VAL A 3 8.247 -3.677 -5.406 1.00 0.00 C ATOM 36 C VAL A 3 7.080 -4.501 -5.911 1.00 0.00 C ATOM 37 O VAL A 3 5.936 -4.067 -5.854 1.00 0.00 O ATOM 38 CB VAL A 3 8.626 -2.589 -6.456 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.623 -1.610 -5.875 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.175 -3.205 -7.738 1.00 0.00 C ATOM 0 H VAL A 3 10.184 -4.436 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 3 7.959 -3.149 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 3 7.712 -2.053 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.874 -0.859 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.188 -1.122 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.526 -2.143 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.427 -2.413 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.069 -3.785 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.422 -3.858 -8.179 1.00 0.00 H new ATOM 50 N THR A 4 7.375 -5.711 -6.354 1.00 0.00 N ATOM 51 CA THR A 4 6.364 -6.601 -6.841 1.00 0.00 C ATOM 52 C THR A 4 5.480 -7.061 -5.668 1.00 0.00 C ATOM 53 O THR A 4 4.263 -7.118 -5.780 1.00 0.00 O ATOM 54 CB THR A 4 6.995 -7.821 -7.617 1.00 0.00 C ATOM 55 OG1 THR A 4 5.973 -8.633 -8.234 1.00 0.00 O ATOM 56 CG2 THR A 4 7.844 -8.699 -6.706 1.00 0.00 C ATOM 0 H THR A 4 8.321 -6.092 -6.382 1.00 0.00 H new ATOM 0 HA THR A 4 5.739 -6.071 -7.559 1.00 0.00 H new ATOM 0 HB THR A 4 7.636 -7.395 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.392 -9.381 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.259 -9.527 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.656 -8.107 -6.284 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.225 -9.092 -5.900 1.00 0.00 H new ATOM 64 N LYS A 5 6.101 -7.314 -4.527 1.00 0.00 N ATOM 65 CA LYS A 5 5.383 -7.769 -3.364 1.00 0.00 C ATOM 66 C LYS A 5 4.705 -6.614 -2.675 1.00 0.00 C ATOM 67 O LYS A 5 3.659 -6.779 -2.052 1.00 0.00 O ATOM 68 CB LYS A 5 6.286 -8.541 -2.410 1.00 0.00 C ATOM 69 CG LYS A 5 6.951 -9.753 -3.045 1.00 0.00 C ATOM 70 CD LYS A 5 5.931 -10.701 -3.660 1.00 0.00 C ATOM 71 CE LYS A 5 6.599 -11.921 -4.268 1.00 0.00 C ATOM 72 NZ LYS A 5 7.272 -12.749 -3.245 1.00 0.00 N ATOM 0 H LYS A 5 7.106 -7.209 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 5 4.611 -8.463 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.058 -7.871 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.699 -8.868 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.650 -9.423 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.533 -10.284 -2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.220 -11.017 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.362 -10.176 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.853 -12.522 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.327 -11.602 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.507 -13.678 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.144 -12.276 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.638 -12.877 -2.430 1.00 0.00 H new ATOM 86 N LEU A 6 5.296 -5.446 -2.792 1.00 0.00 N ATOM 87 CA LEU A 6 4.704 -4.256 -2.238 1.00 0.00 C ATOM 88 C LEU A 6 3.454 -3.910 -3.048 1.00 0.00 C ATOM 89 O LEU A 6 2.415 -3.572 -2.491 1.00 0.00 O ATOM 90 CB LEU A 6 5.715 -3.112 -2.248 1.00 0.00 C ATOM 91 CG LEU A 6 5.317 -1.822 -1.515 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.904 -2.122 -0.077 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.484 -0.853 -1.516 1.00 0.00 C ATOM 0 H LEU A 6 6.187 -5.298 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 6 4.416 -4.424 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.644 -3.477 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.930 -2.859 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 6 4.469 -1.377 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.626 -1.194 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.053 -2.803 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.738 -2.584 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.198 0.061 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.335 -1.308 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.758 -0.615 -2.544 1.00 0.00 H new ATOM 105 N ASN A 7 3.558 -4.061 -4.366 1.00 0.00 N ATOM 106 CA ASN A 7 2.429 -3.861 -5.277 1.00 0.00 C ATOM 107 C ASN A 7 1.341 -4.889 -4.967 1.00 0.00 C ATOM 108 O ASN A 7 0.157 -4.576 -4.968 1.00 0.00 O ATOM 109 CB ASN A 7 2.899 -3.979 -6.745 1.00 0.00 C ATOM 110 CG ASN A 7 1.802 -3.788 -7.803 1.00 0.00 C ATOM 111 OD1 ASN A 7 1.874 -4.376 -8.892 1.00 0.00 O ATOM 112 ND2 ASN A 7 0.813 -2.961 -7.529 1.00 0.00 N ATOM 0 H ASN A 7 4.425 -4.325 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 7 2.019 -2.861 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.681 -3.240 -6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.351 -4.961 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.083 -2.792 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.778 -2.490 -6.625 1.00 0.00 H new ATOM 119 N ASP A 8 1.775 -6.104 -4.674 1.00 0.00 N ATOM 120 CA ASP A 8 0.890 -7.203 -4.267 1.00 0.00 C ATOM 121 C ASP A 8 0.111 -6.853 -2.988 1.00 0.00 C ATOM 122 O ASP A 8 -1.073 -7.185 -2.858 1.00 0.00 O ATOM 123 CB ASP A 8 1.709 -8.483 -4.078 1.00 0.00 C ATOM 124 CG ASP A 8 0.912 -9.639 -3.528 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.057 -10.192 -4.254 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.161 -10.042 -2.374 1.00 0.00 O ATOM 0 H ASP A 8 2.760 -6.366 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 8 0.156 -7.366 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.139 -8.773 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.541 -8.275 -3.406 1.00 0.00 H new ATOM 131 N ARG A 9 0.770 -6.155 -2.068 1.00 0.00 N ATOM 132 CA ARG A 9 0.121 -5.697 -0.835 1.00 0.00 C ATOM 133 C ARG A 9 -0.933 -4.651 -1.156 1.00 0.00 C ATOM 134 O ARG A 9 -2.035 -4.676 -0.614 1.00 0.00 O ATOM 135 CB ARG A 9 1.130 -5.110 0.148 1.00 0.00 C ATOM 136 CG ARG A 9 2.095 -6.114 0.736 1.00 0.00 C ATOM 137 CD ARG A 9 3.073 -5.443 1.678 1.00 0.00 C ATOM 138 NE ARG A 9 2.398 -4.705 2.750 1.00 0.00 N ATOM 139 CZ ARG A 9 2.999 -3.861 3.604 1.00 0.00 C ATOM 140 NH1 ARG A 9 4.333 -3.718 3.592 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.267 -3.178 4.480 1.00 0.00 N ATOM 0 H ARG A 9 1.752 -5.892 -2.149 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.347 -6.565 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.700 -4.332 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.587 -4.629 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.541 -6.885 1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.641 -6.611 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.728 -6.197 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.707 -4.760 1.113 1.00 0.00 H new ATOM 0 HE ARG A 9 1.393 -4.844 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.897 -4.252 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.783 -3.075 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.254 -3.297 4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.719 -2.536 5.131 1.00 0.00 H new ATOM 155 N ILE A 10 -0.580 -3.736 -2.048 1.00 0.00 N ATOM 156 CA ILE A 10 -1.493 -2.694 -2.508 1.00 0.00 C ATOM 157 C ILE A 10 -2.704 -3.339 -3.156 1.00 0.00 C ATOM 158 O ILE A 10 -3.852 -2.955 -2.890 1.00 0.00 O ATOM 159 CB ILE A 10 -0.808 -1.762 -3.546 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.410 -1.080 -2.924 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.793 -0.721 -4.085 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.205 -0.245 -3.897 1.00 0.00 C ATOM 0 H ILE A 10 0.346 -3.693 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.790 -2.097 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.475 -2.373 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.079 -0.446 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.062 -1.842 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.287 -0.082 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.629 -1.227 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.165 -0.112 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.053 0.206 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.568 -0.877 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.570 0.540 -4.306 1.00 0.00 H new ATOM 174 N GLU A 11 -2.436 -4.342 -3.980 1.00 0.00 N ATOM 175 CA GLU A 11 -3.464 -5.063 -4.675 1.00 0.00 C ATOM 176 C GLU A 11 -4.432 -5.698 -3.690 1.00 0.00 C ATOM 177 O GLU A 11 -5.636 -5.565 -3.835 1.00 0.00 O ATOM 178 CB GLU A 11 -2.874 -6.126 -5.581 1.00 0.00 C ATOM 179 CG GLU A 11 -3.918 -6.784 -6.455 1.00 0.00 C ATOM 180 CD GLU A 11 -3.353 -7.796 -7.389 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.191 -8.963 -6.987 1.00 0.00 O ATOM 182 OE2 GLU A 11 -3.105 -7.455 -8.558 1.00 0.00 O ATOM 0 H GLU A 11 -1.491 -4.671 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.007 -4.349 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.107 -5.677 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.382 -6.885 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.664 -7.262 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.435 -6.017 -7.031 1.00 0.00 H new ATOM 189 N ALA A 12 -3.888 -6.324 -2.664 1.00 0.00 N ATOM 190 CA ALA A 12 -4.678 -6.984 -1.638 1.00 0.00 C ATOM 191 C ALA A 12 -5.669 -6.015 -0.975 1.00 0.00 C ATOM 192 O ALA A 12 -6.809 -6.381 -0.672 1.00 0.00 O ATOM 193 CB ALA A 12 -3.760 -7.607 -0.607 1.00 0.00 C ATOM 0 H ALA A 12 -2.881 -6.390 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.267 -7.769 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.356 -8.101 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.113 -8.339 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.149 -6.830 -0.147 1.00 0.00 H new ATOM 199 N LYS A 13 -5.248 -4.770 -0.801 1.00 0.00 N ATOM 200 CA LYS A 13 -6.107 -3.748 -0.218 1.00 0.00 C ATOM 201 C LYS A 13 -7.161 -3.299 -1.213 1.00 0.00 C ATOM 202 O LYS A 13 -8.334 -3.181 -0.878 1.00 0.00 O ATOM 203 CB LYS A 13 -5.300 -2.527 0.286 1.00 0.00 C ATOM 204 CG LYS A 13 -4.731 -2.639 1.709 1.00 0.00 C ATOM 205 CD LYS A 13 -3.812 -3.834 1.896 1.00 0.00 C ATOM 206 CE LYS A 13 -3.284 -3.917 3.321 1.00 0.00 C ATOM 207 NZ LYS A 13 -4.376 -3.966 4.319 1.00 0.00 N ATOM 0 H LYS A 13 -4.316 -4.443 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.598 -4.200 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.473 -2.353 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.942 -1.648 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.183 -1.727 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.556 -2.709 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.351 -4.750 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.975 -3.763 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.659 -4.804 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.648 -3.055 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.144 -4.666 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.489 -3.029 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.263 -4.238 3.850 1.00 0.00 H new ATOM 221 N LYS A 14 -6.755 -3.101 -2.443 1.00 0.00 N ATOM 222 CA LYS A 14 -7.655 -2.593 -3.450 1.00 0.00 C ATOM 223 C LYS A 14 -8.675 -3.652 -3.900 1.00 0.00 C ATOM 224 O LYS A 14 -9.787 -3.319 -4.300 1.00 0.00 O ATOM 225 CB LYS A 14 -6.888 -1.966 -4.612 1.00 0.00 C ATOM 226 CG LYS A 14 -6.161 -2.923 -5.524 1.00 0.00 C ATOM 227 CD LYS A 14 -5.105 -2.193 -6.344 1.00 0.00 C ATOM 228 CE LYS A 14 -5.694 -1.023 -7.121 1.00 0.00 C ATOM 229 NZ LYS A 14 -4.674 -0.289 -7.889 1.00 0.00 N ATOM 0 H LYS A 14 -5.807 -3.284 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.242 -1.793 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.589 -1.387 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.162 -1.263 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.690 -3.709 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.873 -3.409 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.319 -1.830 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.639 -2.892 -7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.462 -1.392 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.184 -0.340 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.123 0.497 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.954 0.087 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.223 -0.932 -8.571 1.00 0.00 H new ATOM 243 N LYS A 15 -8.296 -4.925 -3.828 1.00 0.00 N ATOM 244 CA LYS A 15 -9.214 -6.031 -4.130 1.00 0.00 C ATOM 245 C LYS A 15 -10.281 -6.118 -3.041 1.00 0.00 C ATOM 246 O LYS A 15 -11.475 -6.394 -3.316 1.00 0.00 O ATOM 247 CB LYS A 15 -8.465 -7.377 -4.212 1.00 0.00 C ATOM 248 CG LYS A 15 -7.440 -7.500 -5.342 1.00 0.00 C ATOM 249 CD LYS A 15 -8.066 -7.476 -6.736 1.00 0.00 C ATOM 250 CE LYS A 15 -8.982 -8.674 -6.976 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.279 -9.975 -6.832 1.00 0.00 N ATOM 0 H LYS A 15 -7.357 -5.222 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.675 -5.834 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.955 -7.546 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.200 -8.174 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.721 -6.685 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.883 -8.429 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.635 -6.555 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.276 -7.468 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.814 -8.636 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.408 -8.605 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.882 -10.738 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.388 -9.949 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.074 -10.149 -5.828 1.00 0.00 H new ATOM 265 N GLU A 16 -9.862 -5.813 -1.820 1.00 0.00 N ATOM 266 CA GLU A 16 -10.733 -5.865 -0.668 1.00 0.00 C ATOM 267 C GLU A 16 -11.685 -4.706 -0.794 1.00 0.00 C ATOM 268 O GLU A 16 -12.868 -4.822 -0.529 1.00 0.00 O ATOM 269 CB GLU A 16 -9.916 -5.734 0.620 1.00 0.00 C ATOM 270 CG GLU A 16 -10.691 -6.015 1.897 1.00 0.00 C ATOM 271 CD GLU A 16 -11.074 -7.472 2.042 1.00 0.00 C ATOM 272 OE1 GLU A 16 -10.193 -8.288 2.401 1.00 0.00 O ATOM 273 OE2 GLU A 16 -12.257 -7.833 1.839 1.00 0.00 O ATOM 0 H GLU A 16 -8.907 -5.523 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.269 -6.813 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.069 -6.418 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.508 -4.725 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.089 -5.715 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.593 -5.404 1.911 1.00 0.00 H new ATOM 280 N LEU A 17 -11.139 -3.588 -1.252 1.00 0.00 N ATOM 281 CA LEU A 17 -11.900 -2.404 -1.554 1.00 0.00 C ATOM 282 C LEU A 17 -13.022 -2.680 -2.519 1.00 0.00 C ATOM 283 O LEU A 17 -14.114 -2.214 -2.311 1.00 0.00 O ATOM 284 CB LEU A 17 -11.015 -1.301 -2.089 1.00 0.00 C ATOM 285 CG LEU A 17 -10.278 -0.455 -1.059 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.468 0.618 -1.752 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.265 0.187 -0.110 1.00 0.00 C ATOM 0 H LEU A 17 -10.139 -3.486 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.341 -2.073 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.276 -1.750 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.629 -0.637 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.607 -1.101 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.945 1.217 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.742 0.152 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.133 1.259 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.727 0.789 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.949 0.824 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.832 -0.589 0.405 1.00 0.00 H new ATOM 299 N ILE A 18 -12.754 -3.460 -3.551 1.00 0.00 N ATOM 300 CA ILE A 18 -13.780 -3.829 -4.526 1.00 0.00 C ATOM 301 C ILE A 18 -14.957 -4.505 -3.810 1.00 0.00 C ATOM 302 O ILE A 18 -16.121 -4.221 -4.101 1.00 0.00 O ATOM 303 CB ILE A 18 -13.206 -4.764 -5.623 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.054 -4.061 -6.347 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.296 -5.168 -6.619 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.350 -4.918 -7.373 1.00 0.00 C ATOM 0 H ILE A 18 -11.833 -3.854 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.130 -2.920 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.831 -5.671 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.440 -3.169 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.326 -3.727 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.870 -5.823 -7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.093 -5.693 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.702 -4.276 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.549 -4.344 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.930 -5.798 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.062 -5.231 -8.136 1.00 0.00 H new ATOM 318 N TYR A 19 -14.635 -5.347 -2.836 1.00 0.00 N ATOM 319 CA TYR A 19 -15.647 -6.003 -2.013 1.00 0.00 C ATOM 320 C TYR A 19 -16.342 -4.982 -1.104 1.00 0.00 C ATOM 321 O TYR A 19 -17.563 -4.943 -1.019 1.00 0.00 O ATOM 322 CB TYR A 19 -15.014 -7.143 -1.176 1.00 0.00 C ATOM 323 CG TYR A 19 -15.912 -7.683 -0.070 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.934 -8.586 -0.339 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.740 -7.262 1.245 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.755 -9.052 0.676 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.552 -7.720 2.254 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.557 -8.611 1.971 1.00 0.00 C ATOM 329 OH TYR A 19 -18.370 -9.067 2.992 1.00 0.00 O ATOM 0 H TYR A 19 -13.675 -5.594 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.397 -6.442 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.747 -7.962 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.088 -6.780 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.090 -8.929 -1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.952 -6.561 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.545 -9.755 0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.400 -7.380 3.268 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.959 -8.857 3.856 1.00 0.00 H new ATOM 339 N LEU A 20 -15.550 -4.157 -0.456 1.00 0.00 N ATOM 340 CA LEU A 20 -16.036 -3.152 0.482 1.00 0.00 C ATOM 341 C LEU A 20 -16.952 -2.130 -0.196 1.00 0.00 C ATOM 342 O LEU A 20 -17.944 -1.710 0.384 1.00 0.00 O ATOM 343 CB LEU A 20 -14.859 -2.476 1.176 1.00 0.00 C ATOM 344 CG LEU A 20 -13.969 -3.411 2.007 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.716 -2.704 2.442 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.720 -3.948 3.218 1.00 0.00 C ATOM 0 H LEU A 20 -14.536 -4.160 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.641 -3.656 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.242 -1.989 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.243 -1.691 1.828 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.691 -4.255 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.100 -3.384 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.159 -2.377 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.979 -1.837 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.066 -4.607 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.036 -3.117 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.596 -4.505 2.885 1.00 0.00 H new ATOM 358 N VAL A 21 -16.622 -1.751 -1.415 1.00 0.00 N ATOM 359 CA VAL A 21 -17.460 -0.851 -2.207 1.00 0.00 C ATOM 360 C VAL A 21 -18.817 -1.518 -2.519 1.00 0.00 C ATOM 361 O VAL A 21 -19.859 -0.872 -2.528 1.00 0.00 O ATOM 362 CB VAL A 21 -16.748 -0.411 -3.525 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.660 0.438 -4.386 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.481 0.368 -3.217 1.00 0.00 C ATOM 0 H VAL A 21 -15.771 -2.053 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.636 0.047 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.491 -1.318 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.135 0.728 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.550 -0.134 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.952 1.332 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -15.001 0.665 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.732 1.257 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.800 -0.258 -2.641 1.00 0.00 H new ATOM 374 N GLU A 22 -18.797 -2.811 -2.758 1.00 0.00 N ATOM 375 CA GLU A 22 -20.032 -3.554 -2.985 1.00 0.00 C ATOM 376 C GLU A 22 -20.858 -3.630 -1.695 1.00 0.00 C ATOM 377 O GLU A 22 -22.081 -3.494 -1.705 1.00 0.00 O ATOM 378 CB GLU A 22 -19.740 -4.975 -3.479 1.00 0.00 C ATOM 379 CG GLU A 22 -19.051 -5.060 -4.827 1.00 0.00 C ATOM 380 CD GLU A 22 -19.854 -4.428 -5.932 1.00 0.00 C ATOM 381 OE1 GLU A 22 -21.006 -4.843 -6.150 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.332 -3.541 -6.625 1.00 0.00 O ATOM 0 H GLU A 22 -17.947 -3.374 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.598 -3.023 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.119 -5.480 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.680 -5.524 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.079 -4.571 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.866 -6.106 -5.071 1.00 0.00 H new ATOM 389 N LYS A 23 -20.170 -3.819 -0.602 1.00 0.00 N ATOM 390 CA LYS A 23 -20.767 -4.027 0.673 1.00 0.00 C ATOM 391 C LYS A 23 -21.288 -2.725 1.308 1.00 0.00 C ATOM 392 O LYS A 23 -22.397 -2.687 1.834 1.00 0.00 O ATOM 393 CB LYS A 23 -19.719 -4.663 1.568 1.00 0.00 C ATOM 394 CG LYS A 23 -20.261 -5.175 2.853 1.00 0.00 C ATOM 395 CD LYS A 23 -19.165 -5.754 3.719 1.00 0.00 C ATOM 396 CE LYS A 23 -19.731 -6.540 4.886 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.436 -7.755 4.427 1.00 0.00 N ATOM 0 H LYS A 23 -19.150 -3.831 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.637 -4.673 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.246 -5.485 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.941 -3.930 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.761 -4.367 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.013 -5.939 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.529 -6.403 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.534 -4.949 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.924 -6.820 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.418 -5.911 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.633 -8.371 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.332 -7.486 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.840 -8.265 3.744 1.00 0.00 H new ATOM 411 N TYR A 24 -20.491 -1.680 1.273 1.00 0.00 N ATOM 412 CA TYR A 24 -20.846 -0.437 1.952 1.00 0.00 C ATOM 413 C TYR A 24 -21.266 0.666 0.997 1.00 0.00 C ATOM 414 O TYR A 24 -21.891 1.653 1.415 1.00 0.00 O ATOM 415 CB TYR A 24 -19.700 0.033 2.858 1.00 0.00 C ATOM 416 CG TYR A 24 -19.367 -0.959 3.945 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.252 -1.185 4.986 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.191 -1.697 3.911 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.977 -2.111 5.965 1.00 0.00 C ATOM 420 CE2 TYR A 24 -17.913 -2.633 4.888 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.811 -2.833 5.914 1.00 0.00 C ATOM 422 OH TYR A 24 -18.553 -3.779 6.880 1.00 0.00 O ATOM 0 H TYR A 24 -19.595 -1.658 0.786 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.718 -0.659 2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.813 0.210 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.970 0.986 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.174 -0.624 5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.484 -1.537 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.677 -2.270 6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.998 -3.205 4.848 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.688 -4.202 6.700 1.00 0.00 H new ATOM 432 N GLY A 25 -20.936 0.521 -0.252 1.00 0.00 N ATOM 433 CA GLY A 25 -21.309 1.513 -1.219 1.00 0.00 C ATOM 434 C GLY A 25 -20.137 2.345 -1.664 1.00 0.00 C ATOM 435 O GLY A 25 -19.011 2.168 -1.182 1.00 0.00 O ATOM 0 H GLY A 25 -20.412 -0.270 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.754 1.024 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.073 2.164 -0.793 1.00 0.00 H new ATOM 439 N PHE A 26 -20.401 3.240 -2.571 1.00 0.00 N ATOM 440 CA PHE A 26 -19.408 4.135 -3.101 1.00 0.00 C ATOM 441 C PHE A 26 -19.385 5.379 -2.236 1.00 0.00 C ATOM 442 O PHE A 26 -20.451 5.923 -1.909 1.00 0.00 O ATOM 443 CB PHE A 26 -19.745 4.526 -4.553 1.00 0.00 C ATOM 444 CG PHE A 26 -19.748 3.388 -5.557 1.00 0.00 C ATOM 445 CD1 PHE A 26 -20.819 2.520 -5.646 1.00 0.00 C ATOM 446 CD2 PHE A 26 -18.684 3.209 -6.424 1.00 0.00 C ATOM 447 CE1 PHE A 26 -20.828 1.495 -6.570 1.00 0.00 C ATOM 448 CE2 PHE A 26 -18.687 2.190 -7.355 1.00 0.00 C ATOM 449 CZ PHE A 26 -19.758 1.333 -7.426 1.00 0.00 C ATOM 0 H PHE A 26 -21.329 3.373 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 26 -18.435 3.643 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -20.727 4.998 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.027 5.276 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -21.662 2.645 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.838 3.878 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -21.670 0.821 -6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.850 2.067 -8.026 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.763 0.533 -8.151 1.00 0.00 H new ATOM 459 N THR A 27 -18.195 5.812 -1.865 1.00 0.00 N ATOM 460 CA THR A 27 -17.997 6.970 -1.019 1.00 0.00 C ATOM 461 C THR A 27 -18.562 6.710 0.380 1.00 0.00 C ATOM 462 O THR A 27 -19.678 7.112 0.732 1.00 0.00 O ATOM 463 CB THR A 27 -18.563 8.270 -1.652 1.00 0.00 C ATOM 464 OG1 THR A 27 -18.046 8.393 -2.996 1.00 0.00 O ATOM 465 CG2 THR A 27 -18.136 9.501 -0.854 1.00 0.00 C ATOM 0 H THR A 27 -17.325 5.360 -2.149 1.00 0.00 H new ATOM 0 HA THR A 27 -16.924 7.133 -0.922 1.00 0.00 H new ATOM 0 HB THR A 27 -19.651 8.212 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.397 9.210 -3.408 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.546 10.397 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.508 9.420 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.048 9.566 -0.839 1.00 0.00 H new ATOM 473 N HIS A 28 -17.813 5.972 1.139 1.00 0.00 N ATOM 474 CA HIS A 28 -18.184 5.602 2.473 1.00 0.00 C ATOM 475 C HIS A 28 -16.912 5.717 3.282 1.00 0.00 C ATOM 476 O HIS A 28 -15.864 5.287 2.806 1.00 0.00 O ATOM 477 CB HIS A 28 -18.711 4.147 2.458 1.00 0.00 C ATOM 478 CG HIS A 28 -19.530 3.737 3.649 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.818 3.256 3.559 1.00 0.00 N ATOM 480 CD2 HIS A 28 -19.220 3.716 4.960 1.00 0.00 C ATOM 481 CE1 HIS A 28 -21.237 2.966 4.786 1.00 0.00 C ATOM 482 NE2 HIS A 28 -20.298 3.228 5.679 1.00 0.00 N ATOM 0 H HIS A 28 -16.909 5.602 0.845 1.00 0.00 H new ATOM 0 HA HIS A 28 -18.970 6.229 2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.314 4.008 1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.859 3.472 2.377 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.356 3.142 2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -18.278 4.031 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.213 2.570 5.022 1.00 0.00 H new ATOM 490 N HIS A 29 -16.975 6.293 4.472 1.00 0.00 N ATOM 491 CA HIS A 29 -15.749 6.561 5.257 1.00 0.00 C ATOM 492 C HIS A 29 -14.968 5.311 5.619 1.00 0.00 C ATOM 493 O HIS A 29 -13.751 5.369 5.772 1.00 0.00 O ATOM 494 CB HIS A 29 -15.987 7.459 6.472 1.00 0.00 C ATOM 495 CG HIS A 29 -16.387 8.856 6.111 1.00 0.00 C ATOM 496 ND1 HIS A 29 -15.499 9.901 5.980 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.608 9.371 5.845 1.00 0.00 C ATOM 498 CE1 HIS A 29 -16.187 10.992 5.647 1.00 0.00 C ATOM 499 NE2 HIS A 29 -17.480 10.725 5.551 1.00 0.00 N ATOM 0 H HIS A 29 -17.842 6.586 4.923 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.113 7.127 4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.764 7.016 7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.078 7.493 7.073 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.536 8.819 5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.749 11.964 5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.227 11.377 5.311 1.00 0.00 H new ATOM 507 N LYS A 30 -15.663 4.184 5.734 1.00 0.00 N ATOM 508 CA LYS A 30 -15.010 2.888 5.936 1.00 0.00 C ATOM 509 C LYS A 30 -14.049 2.646 4.777 1.00 0.00 C ATOM 510 O LYS A 30 -12.852 2.453 4.967 1.00 0.00 O ATOM 511 CB LYS A 30 -16.053 1.750 5.949 1.00 0.00 C ATOM 512 CG LYS A 30 -17.091 1.826 7.058 1.00 0.00 C ATOM 513 CD LYS A 30 -16.471 1.646 8.425 1.00 0.00 C ATOM 514 CE LYS A 30 -17.524 1.741 9.513 1.00 0.00 C ATOM 515 NZ LYS A 30 -16.954 1.559 10.857 1.00 0.00 N ATOM 0 H LYS A 30 -16.681 4.138 5.691 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.483 2.900 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.571 1.745 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -15.527 0.799 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.599 2.789 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.849 1.059 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.973 0.678 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.707 2.407 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.015 2.713 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.291 0.986 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.710 1.632 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.508 0.622 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.240 2.295 11.034 1.00 0.00 H new ATOM 529 N VAL A 31 -14.599 2.747 3.579 1.00 0.00 N ATOM 530 CA VAL A 31 -13.887 2.527 2.335 1.00 0.00 C ATOM 531 C VAL A 31 -12.769 3.565 2.167 1.00 0.00 C ATOM 532 O VAL A 31 -11.637 3.220 1.803 1.00 0.00 O ATOM 533 CB VAL A 31 -14.879 2.595 1.135 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.176 2.367 -0.189 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.993 1.571 1.321 1.00 0.00 C ATOM 0 H VAL A 31 -15.580 2.991 3.443 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.433 1.536 2.360 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.307 3.597 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.902 2.422 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.413 3.132 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.708 1.383 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.682 1.625 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.563 0.571 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.532 1.784 2.244 1.00 0.00 H new ATOM 545 N ILE A 32 -13.083 4.821 2.476 1.00 0.00 N ATOM 546 CA ILE A 32 -12.120 5.921 2.387 1.00 0.00 C ATOM 547 C ILE A 32 -10.907 5.662 3.291 1.00 0.00 C ATOM 548 O ILE A 32 -9.767 5.862 2.877 1.00 0.00 O ATOM 549 CB ILE A 32 -12.769 7.293 2.749 1.00 0.00 C ATOM 550 CG1 ILE A 32 -13.929 7.605 1.785 1.00 0.00 C ATOM 551 CG2 ILE A 32 -11.726 8.413 2.709 1.00 0.00 C ATOM 552 CD1 ILE A 32 -14.681 8.888 2.102 1.00 0.00 C ATOM 0 H ILE A 32 -14.009 5.107 2.794 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.787 5.969 1.350 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.164 7.230 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.535 7.670 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.632 6.773 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.200 9.361 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.934 8.198 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.301 8.478 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.480 9.030 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.108 8.821 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.994 9.733 2.056 1.00 0.00 H new ATOM 564 N SER A 33 -11.155 5.172 4.492 1.00 0.00 N ATOM 565 CA SER A 33 -10.093 4.870 5.437 1.00 0.00 C ATOM 566 C SER A 33 -9.134 3.793 4.884 1.00 0.00 C ATOM 567 O SER A 33 -7.901 3.908 5.022 1.00 0.00 O ATOM 568 CB SER A 33 -10.694 4.460 6.772 1.00 0.00 C ATOM 569 OG SER A 33 -11.498 5.514 7.292 1.00 0.00 O ATOM 0 H SER A 33 -12.093 4.973 4.840 1.00 0.00 H new ATOM 0 HA SER A 33 -9.495 5.768 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.297 3.560 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.900 4.216 7.478 1.00 0.00 H new ATOM 0 HG SER A 33 -12.312 5.601 6.753 1.00 0.00 H new ATOM 575 N PHE A 34 -9.690 2.785 4.210 1.00 0.00 N ATOM 576 CA PHE A 34 -8.864 1.765 3.572 1.00 0.00 C ATOM 577 C PHE A 34 -8.147 2.354 2.359 1.00 0.00 C ATOM 578 O PHE A 34 -7.028 1.967 2.043 1.00 0.00 O ATOM 579 CB PHE A 34 -9.677 0.545 3.143 1.00 0.00 C ATOM 580 CG PHE A 34 -10.288 -0.248 4.259 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.508 -1.061 5.063 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.646 -0.205 4.479 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.082 -1.814 6.069 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.229 -0.946 5.478 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.448 -1.755 6.276 1.00 0.00 C ATOM 0 H PHE A 34 -10.695 2.655 4.094 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.135 1.434 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.474 0.877 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.031 -0.114 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.441 -1.107 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.265 0.423 3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.466 -2.446 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.296 -0.895 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.902 -2.341 7.061 1.00 0.00 H new ATOM 595 N SER A 35 -8.782 3.319 1.708 1.00 0.00 N ATOM 596 CA SER A 35 -8.187 3.990 0.570 1.00 0.00 C ATOM 597 C SER A 35 -6.965 4.798 1.036 1.00 0.00 C ATOM 598 O SER A 35 -5.961 4.866 0.352 1.00 0.00 O ATOM 599 CB SER A 35 -9.219 4.895 -0.117 1.00 0.00 C ATOM 600 OG SER A 35 -10.395 4.161 -0.470 1.00 0.00 O ATOM 0 H SER A 35 -9.714 3.653 1.953 1.00 0.00 H new ATOM 0 HA SER A 35 -7.859 3.249 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.486 5.717 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.781 5.337 -1.012 1.00 0.00 H new ATOM 0 HG SER A 35 -10.897 3.938 0.341 1.00 0.00 H new ATOM 606 N GLN A 36 -7.062 5.365 2.238 1.00 0.00 N ATOM 607 CA GLN A 36 -5.960 6.104 2.847 1.00 0.00 C ATOM 608 C GLN A 36 -4.822 5.153 3.222 1.00 0.00 C ATOM 609 O GLN A 36 -3.650 5.541 3.257 1.00 0.00 O ATOM 610 CB GLN A 36 -6.433 6.855 4.096 1.00 0.00 C ATOM 611 CG GLN A 36 -7.516 7.901 3.867 1.00 0.00 C ATOM 612 CD GLN A 36 -7.077 9.081 3.015 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.222 8.971 2.121 1.00 0.00 O ATOM 614 NE2 GLN A 36 -7.643 10.220 3.295 1.00 0.00 N ATOM 0 H GLN A 36 -7.903 5.325 2.814 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.597 6.828 2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.804 6.126 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.572 7.344 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.372 7.423 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.856 8.273 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.342 10.274 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.388 11.058 2.773 1.00 0.00 H new ATOM 623 N GLU A 37 -5.175 3.917 3.512 1.00 0.00 N ATOM 624 CA GLU A 37 -4.195 2.901 3.829 1.00 0.00 C ATOM 625 C GLU A 37 -3.509 2.454 2.541 1.00 0.00 C ATOM 626 O GLU A 37 -2.289 2.327 2.487 1.00 0.00 O ATOM 627 CB GLU A 37 -4.859 1.720 4.536 1.00 0.00 C ATOM 628 CG GLU A 37 -3.900 0.619 4.931 1.00 0.00 C ATOM 629 CD GLU A 37 -4.588 -0.508 5.635 1.00 0.00 C ATOM 630 OE1 GLU A 37 -4.696 -0.469 6.875 1.00 0.00 O ATOM 631 OE2 GLU A 37 -5.017 -1.466 4.974 1.00 0.00 O ATOM 0 H GLU A 37 -6.141 3.591 3.534 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.447 3.311 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.366 2.084 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.625 1.303 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.401 0.237 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.125 1.030 5.578 1.00 0.00 H new ATOM 638 N LEU A 38 -4.311 2.249 1.503 1.00 0.00 N ATOM 639 CA LEU A 38 -3.822 1.896 0.173 1.00 0.00 C ATOM 640 C LEU A 38 -2.872 2.995 -0.294 1.00 0.00 C ATOM 641 O LEU A 38 -1.781 2.720 -0.764 1.00 0.00 O ATOM 642 CB LEU A 38 -5.034 1.754 -0.794 1.00 0.00 C ATOM 643 CG LEU A 38 -4.811 1.179 -2.229 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.140 0.998 -2.898 1.00 0.00 C ATOM 645 CD2 LEU A 38 -3.943 2.072 -3.110 1.00 0.00 C ATOM 0 H LEU A 38 -5.327 2.323 1.560 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.287 0.947 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.773 1.123 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.481 2.742 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.287 0.231 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.991 0.597 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.749 0.305 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.648 1.960 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.829 1.613 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.417 3.048 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.962 2.194 -2.650 1.00 0.00 H new ATOM 657 N ASP A 39 -3.305 4.235 -0.114 1.00 0.00 N ATOM 658 CA ASP A 39 -2.544 5.427 -0.488 1.00 0.00 C ATOM 659 C ASP A 39 -1.175 5.417 0.187 1.00 0.00 C ATOM 660 O ASP A 39 -0.173 5.720 -0.438 1.00 0.00 O ATOM 661 CB ASP A 39 -3.341 6.683 -0.109 1.00 0.00 C ATOM 662 CG ASP A 39 -2.753 7.983 -0.620 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.722 8.197 -1.853 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.412 8.864 0.196 1.00 0.00 O ATOM 0 H ASP A 39 -4.211 4.449 0.303 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.381 5.431 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.356 6.583 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.416 6.736 0.977 1.00 0.00 H new ATOM 669 N ARG A 40 -1.143 4.991 1.451 1.00 0.00 N ATOM 670 CA ARG A 40 0.107 4.857 2.202 1.00 0.00 C ATOM 671 C ARG A 40 1.042 3.839 1.527 1.00 0.00 C ATOM 672 O ARG A 40 2.210 4.131 1.274 1.00 0.00 O ATOM 673 CB ARG A 40 -0.175 4.409 3.649 1.00 0.00 C ATOM 674 CG ARG A 40 1.076 4.102 4.484 1.00 0.00 C ATOM 675 CD ARG A 40 1.800 5.350 4.999 1.00 0.00 C ATOM 676 NE ARG A 40 2.155 6.340 3.964 1.00 0.00 N ATOM 677 CZ ARG A 40 3.401 6.649 3.575 1.00 0.00 C ATOM 678 NH1 ARG A 40 4.429 5.936 3.983 1.00 0.00 N ATOM 679 NH2 ARG A 40 3.609 7.670 2.755 1.00 0.00 N ATOM 0 H ARG A 40 -1.976 4.731 1.980 1.00 0.00 H new ATOM 0 HA ARG A 40 0.593 5.833 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.747 5.189 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.804 3.519 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.790 3.483 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.769 3.515 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.169 5.836 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.711 5.038 5.509 1.00 0.00 H new ATOM 0 HE ARG A 40 1.388 6.831 3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.283 5.138 4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.372 6.181 3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.821 8.223 2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.557 7.903 2.461 1.00 0.00 H new ATOM 693 N LEU A 41 0.508 2.665 1.216 1.00 0.00 N ATOM 694 CA LEU A 41 1.289 1.601 0.575 1.00 0.00 C ATOM 695 C LEU A 41 1.706 1.990 -0.830 1.00 0.00 C ATOM 696 O LEU A 41 2.776 1.608 -1.303 1.00 0.00 O ATOM 697 CB LEU A 41 0.548 0.250 0.568 1.00 0.00 C ATOM 698 CG LEU A 41 0.569 -0.587 1.868 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.053 0.148 3.044 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.132 -1.915 1.643 1.00 0.00 C ATOM 0 H LEU A 41 -0.466 2.420 1.396 1.00 0.00 H new ATOM 0 HA LEU A 41 2.188 1.473 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.493 0.440 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.970 -0.360 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 41 1.614 -0.765 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.012 -0.484 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.498 1.070 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.092 0.386 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.112 -2.498 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.166 -1.735 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.379 -2.467 0.854 1.00 0.00 H new ATOM 712 N LEU A 42 0.862 2.751 -1.483 1.00 0.00 N ATOM 713 CA LEU A 42 1.138 3.260 -2.804 1.00 0.00 C ATOM 714 C LEU A 42 2.309 4.241 -2.721 1.00 0.00 C ATOM 715 O LEU A 42 3.223 4.203 -3.545 1.00 0.00 O ATOM 716 CB LEU A 42 -0.156 3.903 -3.380 1.00 0.00 C ATOM 717 CG LEU A 42 -0.161 4.382 -4.847 1.00 0.00 C ATOM 718 CD1 LEU A 42 -1.595 4.553 -5.316 1.00 0.00 C ATOM 719 CD2 LEU A 42 0.563 5.714 -5.000 1.00 0.00 C ATOM 0 H LEU A 42 -0.043 3.037 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 42 1.431 2.462 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.963 3.179 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.406 4.759 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 42 0.355 3.633 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.601 4.891 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.118 3.599 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.097 5.291 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.541 6.022 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.069 6.469 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.598 5.605 -4.676 1.00 0.00 H new ATOM 731 N ASN A 43 2.305 5.073 -1.685 1.00 0.00 N ATOM 732 CA ASN A 43 3.384 6.043 -1.463 1.00 0.00 C ATOM 733 C ASN A 43 4.683 5.346 -1.188 1.00 0.00 C ATOM 734 O ASN A 43 5.729 5.885 -1.466 1.00 0.00 O ATOM 735 CB ASN A 43 3.119 6.993 -0.297 1.00 0.00 C ATOM 736 CG ASN A 43 1.924 7.903 -0.445 1.00 0.00 C ATOM 737 OD1 ASN A 43 1.324 8.302 0.558 1.00 0.00 O ATOM 738 ND2 ASN A 43 1.566 8.248 -1.656 1.00 0.00 N ATOM 0 H ASN A 43 1.567 5.099 -0.981 1.00 0.00 H new ATOM 0 HA ASN A 43 3.433 6.625 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.989 6.399 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.005 7.610 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.767 8.867 -1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.086 7.898 -2.461 1.00 0.00 H new ATOM 745 N LEU A 44 4.612 4.143 -0.646 1.00 0.00 N ATOM 746 CA LEU A 44 5.803 3.356 -0.341 1.00 0.00 C ATOM 747 C LEU A 44 6.593 3.038 -1.604 1.00 0.00 C ATOM 748 O LEU A 44 7.823 2.964 -1.570 1.00 0.00 O ATOM 749 CB LEU A 44 5.452 2.077 0.423 1.00 0.00 C ATOM 750 CG LEU A 44 4.821 2.266 1.803 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.496 0.920 2.431 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.748 3.060 2.707 1.00 0.00 C ATOM 0 H LEU A 44 3.734 3.683 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 44 6.436 3.963 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.768 1.489 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.361 1.487 0.540 1.00 0.00 H new ATOM 0 HG LEU A 44 3.892 2.824 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.048 1.075 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.796 0.381 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.411 0.338 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.283 3.185 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.692 2.526 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.935 4.039 2.266 1.00 0.00 H new ATOM 764 N LEU A 45 5.890 2.879 -2.725 1.00 0.00 N ATOM 765 CA LEU A 45 6.545 2.674 -4.017 1.00 0.00 C ATOM 766 C LEU A 45 7.326 3.927 -4.387 1.00 0.00 C ATOM 767 O LEU A 45 8.449 3.856 -4.900 1.00 0.00 O ATOM 768 CB LEU A 45 5.524 2.380 -5.124 1.00 0.00 C ATOM 769 CG LEU A 45 4.740 1.070 -5.032 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.718 1.007 -6.154 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.678 -0.123 -5.123 1.00 0.00 C ATOM 0 H LEU A 45 4.871 2.888 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 45 7.212 1.816 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.807 3.200 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.050 2.391 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 45 4.228 1.036 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.161 0.073 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.029 1.847 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.230 1.056 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.101 -1.045 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.210 -0.096 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.397 -0.084 -4.305 1.00 0.00 H new ATOM 783 N ILE A 46 6.729 5.064 -4.097 1.00 0.00 N ATOM 784 CA ILE A 46 7.329 6.354 -4.366 1.00 0.00 C ATOM 785 C ILE A 46 8.475 6.620 -3.380 1.00 0.00 C ATOM 786 O ILE A 46 9.529 7.106 -3.772 1.00 0.00 O ATOM 787 CB ILE A 46 6.275 7.544 -4.367 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.339 7.506 -5.605 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.958 8.906 -4.297 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.392 6.330 -5.689 1.00 0.00 C ATOM 0 H ILE A 46 5.807 5.119 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 46 7.733 6.316 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 46 5.670 7.401 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.749 8.423 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.957 7.513 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.203 9.692 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.546 8.971 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.613 9.029 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.790 6.412 -6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.965 5.403 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.738 6.327 -4.817 1.00 0.00 H new ATOM 802 N GLU A 47 8.284 6.269 -2.113 1.00 0.00 N ATOM 803 CA GLU A 47 9.327 6.433 -1.113 1.00 0.00 C ATOM 804 C GLU A 47 10.529 5.555 -1.413 1.00 0.00 C ATOM 805 O GLU A 47 11.650 5.961 -1.178 1.00 0.00 O ATOM 806 CB GLU A 47 8.840 6.218 0.329 1.00 0.00 C ATOM 807 CG GLU A 47 7.861 7.273 0.827 1.00 0.00 C ATOM 808 CD GLU A 47 7.659 7.207 2.328 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.489 7.790 3.073 1.00 0.00 O ATOM 810 OE2 GLU A 47 6.695 6.573 2.797 1.00 0.00 O ATOM 0 H GLU A 47 7.416 5.869 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 47 9.632 7.477 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.366 5.239 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.705 6.200 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.228 8.263 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.902 7.140 0.327 1.00 0.00 H new ATOM 817 N LEU A 48 10.298 4.364 -1.943 1.00 0.00 N ATOM 818 CA LEU A 48 11.393 3.491 -2.330 1.00 0.00 C ATOM 819 C LEU A 48 12.136 4.073 -3.528 1.00 0.00 C ATOM 820 O LEU A 48 13.365 4.012 -3.613 1.00 0.00 O ATOM 821 CB LEU A 48 10.892 2.111 -2.643 1.00 0.00 C ATOM 822 CG LEU A 48 11.980 1.078 -2.917 1.00 0.00 C ATOM 823 CD1 LEU A 48 13.035 1.080 -1.808 1.00 0.00 C ATOM 824 CD2 LEU A 48 11.348 -0.250 -2.964 1.00 0.00 C ATOM 0 H LEU A 48 9.368 3.982 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 48 12.085 3.418 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.284 1.763 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.237 2.167 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 48 12.470 1.320 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.798 0.334 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.498 2.065 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.562 0.843 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.107 -1.007 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.866 -0.457 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.603 -0.270 -3.759 1.00 0.00 H new ATOM 836 N LYS A 49 11.377 4.673 -4.423 1.00 0.00 N ATOM 837 CA LYS A 49 11.917 5.367 -5.583 1.00 0.00 C ATOM 838 C LYS A 49 12.750 6.567 -5.111 1.00 0.00 C ATOM 839 O LYS A 49 13.796 6.881 -5.676 1.00 0.00 O ATOM 840 CB LYS A 49 10.732 5.788 -6.498 1.00 0.00 C ATOM 841 CG LYS A 49 11.063 6.581 -7.769 1.00 0.00 C ATOM 842 CD LYS A 49 11.109 8.079 -7.511 1.00 0.00 C ATOM 843 CE LYS A 49 11.404 8.854 -8.780 1.00 0.00 C ATOM 844 NZ LYS A 49 11.389 10.313 -8.550 1.00 0.00 N ATOM 0 H LYS A 49 10.359 4.695 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 49 12.579 4.722 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.199 4.885 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.041 6.383 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.025 6.251 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.316 6.368 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.156 8.407 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.873 8.297 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.378 8.558 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.667 8.599 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.595 10.807 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.451 10.600 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.110 10.560 -7.843 1.00 0.00 H new ATOM 858 N THR A 50 12.295 7.188 -4.046 1.00 0.00 N ATOM 859 CA THR A 50 12.949 8.333 -3.469 1.00 0.00 C ATOM 860 C THR A 50 14.232 7.911 -2.700 1.00 0.00 C ATOM 861 O THR A 50 15.169 8.698 -2.554 1.00 0.00 O ATOM 862 CB THR A 50 11.956 9.100 -2.556 1.00 0.00 C ATOM 863 OG1 THR A 50 10.773 9.419 -3.320 1.00 0.00 O ATOM 864 CG2 THR A 50 12.553 10.393 -2.037 1.00 0.00 C ATOM 0 H THR A 50 11.448 6.905 -3.552 1.00 0.00 H new ATOM 0 HA THR A 50 13.264 9.004 -4.268 1.00 0.00 H new ATOM 0 HB THR A 50 11.720 8.463 -1.704 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.213 8.619 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.827 10.900 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.450 10.173 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.812 11.037 -2.877 1.00 0.00 H new ATOM 872 N LYS A 51 14.272 6.649 -2.247 1.00 0.00 N ATOM 873 CA LYS A 51 15.458 6.109 -1.572 1.00 0.00 C ATOM 874 C LYS A 51 16.603 6.007 -2.556 1.00 0.00 C ATOM 875 O LYS A 51 17.768 6.056 -2.158 1.00 0.00 O ATOM 876 CB LYS A 51 15.205 4.705 -0.995 1.00 0.00 C ATOM 877 CG LYS A 51 14.145 4.603 0.080 1.00 0.00 C ATOM 878 CD LYS A 51 14.527 5.366 1.334 1.00 0.00 C ATOM 879 CE LYS A 51 13.456 5.228 2.409 1.00 0.00 C ATOM 880 NZ LYS A 51 12.119 5.614 1.915 1.00 0.00 N ATOM 0 H LYS A 51 13.500 5.988 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 51 15.698 6.789 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.925 4.043 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.143 4.329 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.201 4.989 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.983 3.554 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.478 4.993 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.671 6.419 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.428 4.197 2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.719 5.850 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.477 5.751 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.191 6.500 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.746 4.863 1.300 1.00 0.00 H new ATOM 894 N LYS A 52 16.235 5.797 -3.851 1.00 0.00 N ATOM 895 CA LYS A 52 17.142 5.682 -5.034 1.00 0.00 C ATOM 896 C LYS A 52 18.253 4.643 -4.863 1.00 0.00 C ATOM 897 O LYS A 52 19.167 4.559 -5.667 1.00 0.00 O ATOM 898 CB LYS A 52 17.735 7.043 -5.482 1.00 0.00 C ATOM 899 CG LYS A 52 18.631 7.710 -4.465 1.00 0.00 C ATOM 900 CD LYS A 52 19.333 8.905 -5.038 1.00 0.00 C ATOM 901 CE LYS A 52 20.209 9.549 -3.989 1.00 0.00 C ATOM 902 NZ LYS A 52 21.057 10.606 -4.549 1.00 0.00 N ATOM 0 H LYS A 52 15.254 5.699 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 52 16.491 5.324 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.302 6.891 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.915 7.719 -5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.038 8.016 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.369 6.993 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.938 8.605 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.601 9.625 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.582 9.967 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.838 8.788 -3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.641 11.019 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.675 10.203 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.458 11.346 -4.968 1.00 0.00 H new ATOM 916 N LYS A 53 18.114 3.798 -3.872 1.00 0.00 N ATOM 917 CA LYS A 53 19.102 2.783 -3.576 1.00 0.00 C ATOM 918 C LYS A 53 18.812 1.507 -4.336 1.00 0.00 C ATOM 919 O LYS A 53 19.284 0.416 -3.988 1.00 0.00 O ATOM 920 CB LYS A 53 19.183 2.531 -2.078 1.00 0.00 C ATOM 921 CG LYS A 53 17.874 2.101 -1.417 1.00 0.00 C ATOM 922 CD LYS A 53 18.086 1.788 0.060 1.00 0.00 C ATOM 923 CE LYS A 53 18.858 0.482 0.260 1.00 0.00 C ATOM 924 NZ LYS A 53 18.036 -0.709 -0.047 1.00 0.00 N ATOM 0 H LYS A 53 17.310 3.792 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 53 20.075 3.147 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.933 1.761 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.535 3.441 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.132 2.893 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.477 1.222 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.630 2.607 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.119 1.719 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.742 0.484 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.208 0.423 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.552 -1.568 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.140 -0.658 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.837 -0.740 -1.067 1.00 0.00 H new ATOM 938 N ARG A 54 18.044 1.641 -5.375 1.00 0.00 N ATOM 939 CA ARG A 54 17.772 0.550 -6.235 1.00 0.00 C ATOM 940 C ARG A 54 18.877 0.492 -7.245 1.00 0.00 C ATOM 941 O ARG A 54 19.194 1.497 -7.900 1.00 0.00 O ATOM 942 CB ARG A 54 16.434 0.683 -6.946 1.00 0.00 C ATOM 943 CG ARG A 54 15.219 0.606 -6.050 1.00 0.00 C ATOM 944 CD ARG A 54 13.946 0.587 -6.884 1.00 0.00 C ATOM 945 NE ARG A 54 13.889 -0.586 -7.785 1.00 0.00 N ATOM 946 CZ ARG A 54 12.810 -0.970 -8.485 1.00 0.00 C ATOM 947 NH1 ARG A 54 11.712 -0.209 -8.495 1.00 0.00 N ATOM 948 NH2 ARG A 54 12.852 -2.091 -9.207 1.00 0.00 N ATOM 0 H ARG A 54 17.592 2.515 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 54 17.716 -0.362 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.415 1.635 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.361 -0.102 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.271 -0.291 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.205 1.459 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.080 0.578 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.886 1.501 -7.475 1.00 0.00 H new ATOM 0 HE ARG A 54 14.736 -1.146 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.693 0.665 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.893 -0.502 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.702 -2.654 -9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.034 -2.385 -9.740 1.00 0.00 H new ATOM 962 N TYR A 55 19.442 -0.660 -7.416 1.00 0.00 N ATOM 963 CA TYR A 55 20.580 -0.813 -8.283 1.00 0.00 C ATOM 964 C TYR A 55 20.146 -0.874 -9.740 1.00 0.00 C ATOM 965 O TYR A 55 20.947 -1.064 -10.631 1.00 0.00 O ATOM 966 CB TYR A 55 21.415 -2.021 -7.861 1.00 0.00 C ATOM 967 CG TYR A 55 21.820 -1.951 -6.398 1.00 0.00 C ATOM 968 CD1 TYR A 55 22.936 -1.235 -5.990 1.00 0.00 C ATOM 969 CD2 TYR A 55 21.053 -2.569 -5.424 1.00 0.00 C ATOM 970 CE1 TYR A 55 23.267 -1.142 -4.649 1.00 0.00 C ATOM 971 CE2 TYR A 55 21.379 -2.490 -4.094 1.00 0.00 C ATOM 972 CZ TYR A 55 22.481 -1.775 -3.708 1.00 0.00 C ATOM 973 OH TYR A 55 22.792 -1.682 -2.368 1.00 0.00 O ATOM 0 H TYR A 55 19.134 -1.521 -6.964 1.00 0.00 H new ATOM 0 HA TYR A 55 21.221 0.063 -8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.846 -2.934 -8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 55 22.309 -2.079 -8.482 1.00 0.00 H new ATOM 0 HD1 TYR A 55 23.554 -0.744 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 55 20.177 -3.127 -5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.135 -0.578 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.770 -2.989 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 55 22.135 -2.186 -1.844 1.00 0.00 H new ATOM 983 N SER A 56 18.873 -0.689 -9.966 1.00 0.00 N ATOM 984 CA SER A 56 18.320 -0.581 -11.275 1.00 0.00 C ATOM 985 C SER A 56 18.637 0.818 -11.840 1.00 0.00 C ATOM 986 O SER A 56 18.721 1.024 -13.058 1.00 0.00 O ATOM 987 CB SER A 56 16.822 -0.806 -11.155 1.00 0.00 C ATOM 988 OG SER A 56 16.296 -0.018 -10.091 1.00 0.00 O ATOM 0 H SER A 56 18.181 -0.608 -9.221 1.00 0.00 H new ATOM 0 HA SER A 56 18.743 -1.319 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.330 -0.543 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.618 -1.861 -10.973 1.00 0.00 H new ATOM 0 HG SER A 56 15.330 -0.167 -10.021 1.00 0.00 H new ATOM 994 N LEU A 57 18.833 1.772 -10.929 1.00 0.00 N ATOM 995 CA LEU A 57 19.172 3.138 -11.296 1.00 0.00 C ATOM 996 C LEU A 57 20.676 3.255 -11.484 1.00 0.00 C ATOM 997 O LEU A 57 21.161 3.972 -12.365 1.00 0.00 O ATOM 998 CB LEU A 57 18.731 4.117 -10.193 1.00 0.00 C ATOM 999 CG LEU A 57 17.245 4.123 -9.810 1.00 0.00 C ATOM 1000 CD1 LEU A 57 16.998 5.131 -8.703 1.00 0.00 C ATOM 1001 CD2 LEU A 57 16.368 4.431 -11.017 1.00 0.00 C ATOM 0 H LEU A 57 18.761 1.616 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 57 18.656 3.386 -12.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 19.310 3.897 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 57 19.002 5.125 -10.508 1.00 0.00 H new ATOM 0 HG LEU A 57 16.980 3.129 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.941 5.128 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.592 4.864 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.283 6.125 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.320 4.429 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.629 5.411 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.526 3.674 -11.785 1.00 0.00 H new ATOM 1013 N LEU A 58 21.401 2.539 -10.649 1.00 0.00 N ATOM 1014 CA LEU A 58 22.855 2.562 -10.664 1.00 0.00 C ATOM 1015 C LEU A 58 23.407 1.683 -11.778 1.00 0.00 C ATOM 1016 O LEU A 58 24.391 2.029 -12.430 1.00 0.00 O ATOM 1017 CB LEU A 58 23.403 2.114 -9.303 1.00 0.00 C ATOM 1018 CG LEU A 58 22.980 2.963 -8.092 1.00 0.00 C ATOM 1019 CD1 LEU A 58 23.517 2.364 -6.807 1.00 0.00 C ATOM 1020 CD2 LEU A 58 23.457 4.402 -8.243 1.00 0.00 C ATOM 0 H LEU A 58 21.002 1.924 -9.940 1.00 0.00 H new ATOM 0 HA LEU A 58 23.179 3.585 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 58 23.088 1.085 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 58 24.492 2.110 -9.356 1.00 0.00 H new ATOM 0 HG LEU A 58 21.891 2.966 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.207 2.979 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 58 23.125 1.354 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.606 2.328 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 58 23.145 4.982 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.544 4.419 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.023 4.837 -9.144 1.00 0.00 H new ATOM 1032 N GLU A 59 22.787 0.546 -11.989 1.00 0.00 N ATOM 1033 CA GLU A 59 23.220 -0.348 -13.026 1.00 0.00 C ATOM 1034 C GLU A 59 22.268 -0.258 -14.212 1.00 0.00 C ATOM 1035 O GLU A 59 22.326 0.701 -14.992 1.00 0.00 O ATOM 1036 CB GLU A 59 23.343 -1.796 -12.503 1.00 0.00 C ATOM 1037 CG GLU A 59 24.172 -1.936 -11.236 1.00 0.00 C ATOM 1038 CD GLU A 59 24.293 -3.366 -10.789 1.00 0.00 C ATOM 1039 OE1 GLU A 59 23.303 -3.925 -10.271 1.00 0.00 O ATOM 1040 OE2 GLU A 59 25.372 -3.977 -10.971 1.00 0.00 O ATOM 0 H GLU A 59 21.981 0.222 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 59 24.214 -0.048 -13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 59 22.343 -2.188 -12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 59 23.786 -2.415 -13.283 1.00 0.00 H new ATOM 0 HG2 GLU A 59 25.167 -1.526 -11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 59 23.718 -1.346 -10.440 1.00 0.00 H new ATOM 1047 N HIS A 60 21.371 -1.202 -14.298 1.00 0.00 N ATOM 1048 CA HIS A 60 20.363 -1.264 -15.338 1.00 0.00 C ATOM 1049 C HIS A 60 19.086 -1.820 -14.761 1.00 0.00 C ATOM 1050 O HIS A 60 19.114 -2.589 -13.786 1.00 0.00 O ATOM 1051 CB HIS A 60 20.804 -2.146 -16.529 1.00 0.00 C ATOM 1052 CG HIS A 60 21.846 -1.544 -17.423 1.00 0.00 C ATOM 1053 ND1 HIS A 60 23.167 -1.931 -17.453 1.00 0.00 N ATOM 1054 CD2 HIS A 60 21.722 -0.584 -18.362 1.00 0.00 C ATOM 1055 CE1 HIS A 60 23.790 -1.211 -18.387 1.00 0.00 C ATOM 1056 NE2 HIS A 60 22.954 -0.376 -18.972 1.00 0.00 N ATOM 0 H HIS A 60 21.314 -1.973 -13.632 1.00 0.00 H new ATOM 0 HA HIS A 60 20.212 -0.251 -15.711 1.00 0.00 H new ATOM 0 HB2 HIS A 60 21.185 -3.090 -16.139 1.00 0.00 H new ATOM 0 HB3 HIS A 60 19.926 -2.381 -17.130 1.00 0.00 H new ATOM 0 HD2 HIS A 60 20.809 -0.059 -18.602 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.838 -1.300 -18.631 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.167 0.286 -19.718 1.00 0.00 H new ATOM 1064 N HIS A 61 17.981 -1.402 -15.315 1.00 0.00 N ATOM 1065 CA HIS A 61 16.689 -1.897 -14.914 1.00 0.00 C ATOM 1066 C HIS A 61 16.186 -2.847 -15.969 1.00 0.00 C ATOM 1067 O HIS A 61 15.546 -3.840 -15.674 1.00 0.00 O ATOM 1068 CB HIS A 61 15.686 -0.740 -14.738 1.00 0.00 C ATOM 1069 CG HIS A 61 14.327 -1.178 -14.246 1.00 0.00 C ATOM 1070 ND1 HIS A 61 13.150 -0.978 -14.935 1.00 0.00 N ATOM 1071 CD2 HIS A 61 13.981 -1.800 -13.096 1.00 0.00 C ATOM 1072 CE1 HIS A 61 12.152 -1.468 -14.200 1.00 0.00 C ATOM 1073 NE2 HIS A 61 12.606 -1.982 -13.067 1.00 0.00 N ATOM 0 H HIS A 61 17.949 -0.706 -16.060 1.00 0.00 H new ATOM 0 HA HIS A 61 16.786 -2.410 -13.957 1.00 0.00 H new ATOM 0 HB2 HIS A 61 16.100 -0.017 -14.035 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.568 -0.226 -15.692 1.00 0.00 H new ATOM 0 HD1 HIS A 61 13.059 -0.533 -15.848 1.00 0.00 H new ATOM 0 HD2 HIS A 61 14.668 -2.107 -12.321 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.112 -1.449 -14.490 1.00 0.00 H new ATOM 1081 N HIS A 62 16.498 -2.544 -17.192 1.00 0.00 N ATOM 1082 CA HIS A 62 16.048 -3.336 -18.293 1.00 0.00 C ATOM 1083 C HIS A 62 17.221 -4.091 -18.848 1.00 0.00 C ATOM 1084 O HIS A 62 18.321 -3.531 -18.988 1.00 0.00 O ATOM 1085 CB HIS A 62 15.393 -2.452 -19.366 1.00 0.00 C ATOM 1086 CG HIS A 62 14.251 -1.623 -18.844 1.00 0.00 C ATOM 1087 ND1 HIS A 62 14.230 -0.246 -18.857 1.00 0.00 N ATOM 1088 CD2 HIS A 62 13.083 -2.005 -18.277 1.00 0.00 C ATOM 1089 CE1 HIS A 62 13.082 0.161 -18.312 1.00 0.00 C ATOM 1090 NE2 HIS A 62 12.344 -0.869 -17.939 1.00 0.00 N ATOM 0 H HIS A 62 17.071 -1.742 -17.454 1.00 0.00 H new ATOM 0 HA HIS A 62 15.291 -4.044 -17.957 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.148 -1.790 -19.791 1.00 0.00 H new ATOM 0 HB3 HIS A 62 15.032 -3.085 -20.176 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.772 -3.026 -18.112 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.795 1.195 -18.192 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.426 -0.841 -17.496 1.00 0.00 H new ATOM 1098 N HIS A 63 17.027 -5.344 -19.136 1.00 0.00 N ATOM 1099 CA HIS A 63 18.109 -6.179 -19.602 1.00 0.00 C ATOM 1100 C HIS A 63 17.672 -6.984 -20.801 1.00 0.00 C ATOM 1101 O HIS A 63 16.627 -7.647 -20.771 1.00 0.00 O ATOM 1102 CB HIS A 63 18.589 -7.137 -18.490 1.00 0.00 C ATOM 1103 CG HIS A 63 19.121 -6.468 -17.247 1.00 0.00 C ATOM 1104 ND1 HIS A 63 18.397 -6.320 -16.081 1.00 0.00 N ATOM 1105 CD2 HIS A 63 20.338 -5.926 -16.997 1.00 0.00 C ATOM 1106 CE1 HIS A 63 19.169 -5.713 -15.184 1.00 0.00 C ATOM 1107 NE2 HIS A 63 20.366 -5.448 -15.686 1.00 0.00 N ATOM 0 H HIS A 63 16.127 -5.818 -19.058 1.00 0.00 H new ATOM 0 HA HIS A 63 18.935 -5.526 -19.884 1.00 0.00 H new ATOM 0 HB2 HIS A 63 17.758 -7.784 -18.207 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.369 -7.780 -18.899 1.00 0.00 H new ATOM 0 HD1 HIS A 63 17.435 -6.624 -15.933 1.00 0.00 H new ATOM 0 HD2 HIS A 63 21.156 -5.873 -17.700 1.00 0.00 H new ATOM 0 HE1 HIS A 63 18.861 -5.468 -14.178 1.00 0.00 H new ATOM 1115 N HIS A 64 18.439 -6.917 -21.844 1.00 0.00 N ATOM 1116 CA HIS A 64 18.194 -7.676 -23.020 1.00 0.00 C ATOM 1117 C HIS A 64 19.079 -8.888 -22.982 1.00 0.00 C ATOM 1118 O HIS A 64 18.568 -10.002 -22.845 1.00 0.00 O ATOM 1119 CB HIS A 64 18.471 -6.844 -24.269 1.00 0.00 C ATOM 1120 CG HIS A 64 17.527 -5.698 -24.468 1.00 0.00 C ATOM 1121 ND1 HIS A 64 17.874 -4.378 -24.296 1.00 0.00 N ATOM 1122 CD2 HIS A 64 16.233 -5.695 -24.854 1.00 0.00 C ATOM 1123 CE1 HIS A 64 16.812 -3.626 -24.572 1.00 0.00 C ATOM 1124 NE2 HIS A 64 15.781 -4.380 -24.920 1.00 0.00 N ATOM 1125 OXT HIS A 64 20.318 -8.711 -22.980 1.00 0.00 O ATOM 0 H HIS A 64 19.266 -6.322 -21.898 1.00 0.00 H new ATOM 0 HA HIS A 64 17.147 -7.978 -23.058 1.00 0.00 H new ATOM 0 HB2 HIS A 64 19.488 -6.456 -24.215 1.00 0.00 H new ATOM 0 HB3 HIS A 64 18.424 -7.494 -25.142 1.00 0.00 H new ATOM 0 HD2 HIS A 64 15.643 -6.572 -25.076 1.00 0.00 H new ATOM 0 HE1 HIS A 64 16.793 -2.547 -24.519 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.848 -4.063 -25.182 1.00 0.00 H new TER 1133 HIS A 64