USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 45 SER OG : rot 179:sc= 0.814 USER MOD Set 1.2: A 90 HEC O2A : rot 105:sc= 0.00281 USER MOD Single : A 1 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 7 TYR OH : rot 128:sc= 0.54 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.371 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 49:sc= 0.0277 USER MOD Single : A 26 HIS : no HE2:sc= -0.526 K(o=-0.53,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= -0.769 K(o=-0.77,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.484 F(o=-2,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.562 F(o=-1.1,f=-0.56) USER MOD Single : A 53 MET CE :methyl -178:sc= -1.62 (180deg=-1.65) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 89:sc= 0.885 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc=-0.00151 (180deg=-0.819) USER MOD Single : A 74 MET CE :methyl 173:sc= 0 (180deg=-0.00692) USER MOD Single : A 75 SER OG : rot -51:sc= 0.0476 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -127:sc= 1.92 (180deg=-0.627!) USER MOD Single : A 90 HEC O2D : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 2.673 0.139 -14.829 1.00 10.00 N ATOM 2 CA ALA A -3 3.551 -0.393 -15.897 1.00 10.00 C ATOM 3 C ALA A -3 3.601 -1.926 -15.853 1.00 10.00 C ATOM 4 O ALA A -3 2.906 -2.560 -16.635 1.00 10.00 O ATOM 5 CB ALA A -3 4.942 0.253 -15.861 1.00 10.00 C ATOM 0 H1 ALA A -3 2.655 1.178 -14.879 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.709 -0.230 -14.956 1.00 10.00 H new ATOM 0 H3 ALA A -3 3.037 -0.156 -13.901 1.00 10.00 H new ATOM 0 HA ALA A -3 3.119 -0.120 -16.860 1.00 10.00 H new ATOM 0 HB1 ALA A -3 5.557 -0.163 -16.659 1.00 10.00 H new ATOM 0 HB2 ALA A -3 4.847 1.330 -16.000 1.00 10.00 H new ATOM 0 HB3 ALA A -3 5.412 0.051 -14.898 1.00 10.00 H new ATOM 13 N ASP A -2 4.305 -2.495 -14.866 1.00 10.00 N ATOM 14 CA ASP A -2 4.529 -3.932 -14.750 1.00 10.00 C ATOM 15 C ASP A -2 4.943 -4.291 -13.313 1.00 10.00 C ATOM 16 O ASP A -2 5.891 -3.723 -12.768 1.00 10.00 O ATOM 17 CB ASP A -2 5.635 -4.346 -15.736 1.00 10.00 C ATOM 18 CG ASP A -2 5.092 -4.796 -17.079 1.00 10.00 C ATOM 19 OD1 ASP A -2 4.352 -5.802 -17.068 1.00 10.00 O ATOM 20 OD2 ASP A -2 5.458 -4.147 -18.080 1.00 10.00 O ATOM 0 H ASP A -2 4.740 -1.957 -14.116 1.00 10.00 H new ATOM 0 HA ASP A -2 3.608 -4.465 -14.986 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.313 -3.506 -15.887 1.00 10.00 H new ATOM 0 HB3 ASP A -2 6.221 -5.154 -15.298 1.00 10.00 H new ATOM 25 N LEU A -1 4.220 -5.229 -12.693 1.00 10.00 N ATOM 26 CA LEU A -1 4.523 -5.752 -11.359 1.00 10.00 C ATOM 27 C LEU A -1 5.722 -6.707 -11.381 1.00 10.00 C ATOM 28 O LEU A -1 5.603 -7.907 -11.173 1.00 10.00 O ATOM 29 CB LEU A -1 3.249 -6.299 -10.687 1.00 10.00 C ATOM 30 CG LEU A -1 2.574 -7.591 -11.203 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.770 -7.934 -12.686 1.00 10.00 C ATOM 32 CD2 LEU A -1 2.854 -8.811 -10.304 1.00 10.00 C ATOM 0 H LEU A -1 3.393 -5.653 -13.113 1.00 10.00 H new ATOM 0 HA LEU A -1 4.854 -4.936 -10.716 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.485 -6.459 -9.635 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.500 -5.508 -10.728 1.00 10.00 H new ATOM 0 HG LEU A -1 1.516 -7.336 -11.133 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.247 -8.862 -12.917 1.00 10.00 H new ATOM 0 HD12 LEU A -1 2.370 -7.128 -13.302 1.00 10.00 H new ATOM 0 HD13 LEU A -1 3.833 -8.056 -12.894 1.00 10.00 H new ATOM 0 HD21 LEU A -1 2.355 -9.688 -10.716 1.00 10.00 H new ATOM 0 HD22 LEU A -1 3.928 -8.992 -10.260 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.477 -8.617 -9.300 1.00 10.00 H new ATOM 44 N GLN A 1 6.893 -6.160 -11.711 1.00 10.00 N ATOM 45 CA GLN A 1 8.132 -6.928 -11.814 1.00 10.00 C ATOM 46 C GLN A 1 9.092 -6.672 -10.647 1.00 10.00 C ATOM 47 O GLN A 1 9.942 -7.506 -10.344 1.00 10.00 O ATOM 48 CB GLN A 1 8.787 -6.624 -13.174 1.00 10.00 C ATOM 49 CG GLN A 1 9.033 -7.894 -13.998 1.00 10.00 C ATOM 50 CD GLN A 1 10.053 -8.831 -13.357 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.254 -8.665 -13.526 1.00 10.00 O ATOM 52 NE2 GLN A 1 9.596 -9.849 -12.642 1.00 10.00 N ATOM 0 H GLN A 1 7.008 -5.167 -11.915 1.00 10.00 H new ATOM 0 HA GLN A 1 7.889 -7.989 -11.753 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.148 -5.945 -13.739 1.00 10.00 H new ATOM 0 HB3 GLN A 1 9.734 -6.110 -13.012 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.090 -8.425 -14.127 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.380 -7.614 -14.993 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.592 -9.971 -12.512 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.249 -10.511 -12.221 1.00 10.00 H new ATOM 61 N ASP A 2 8.955 -5.509 -10.011 1.00 10.00 N ATOM 62 CA ASP A 2 9.642 -5.145 -8.788 1.00 10.00 C ATOM 63 C ASP A 2 8.656 -4.350 -7.932 1.00 10.00 C ATOM 64 O ASP A 2 8.131 -3.333 -8.379 1.00 10.00 O ATOM 65 CB ASP A 2 10.891 -4.329 -9.146 1.00 10.00 C ATOM 66 CG ASP A 2 11.686 -3.867 -7.931 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.140 -3.946 -6.809 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.820 -3.402 -8.157 1.00 10.00 O ATOM 0 H ASP A 2 8.338 -4.772 -10.352 1.00 10.00 H new ATOM 0 HA ASP A 2 9.974 -6.017 -8.225 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.537 -4.931 -9.785 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.591 -3.457 -9.727 1.00 10.00 H new ATOM 73 N ALA A 3 8.418 -4.788 -6.701 1.00 10.00 N ATOM 74 CA ALA A 3 7.624 -4.054 -5.735 1.00 10.00 C ATOM 75 C ALA A 3 8.051 -2.594 -5.559 1.00 10.00 C ATOM 76 O ALA A 3 7.190 -1.725 -5.415 1.00 10.00 O ATOM 77 CB ALA A 3 7.718 -4.786 -4.419 1.00 10.00 C ATOM 0 H ALA A 3 8.777 -5.674 -6.346 1.00 10.00 H new ATOM 0 HA ALA A 3 6.600 -4.010 -6.105 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.130 -4.259 -3.667 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.332 -5.799 -4.537 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.760 -4.830 -4.100 1.00 10.00 H new ATOM 83 N GLU A 4 9.356 -2.297 -5.603 1.00 10.00 N ATOM 84 CA GLU A 4 9.808 -0.912 -5.606 1.00 10.00 C ATOM 85 C GLU A 4 9.157 -0.155 -6.766 1.00 10.00 C ATOM 86 O GLU A 4 8.533 0.889 -6.579 1.00 10.00 O ATOM 87 CB GLU A 4 11.338 -0.826 -5.634 1.00 10.00 C ATOM 88 CG GLU A 4 11.793 0.628 -5.863 1.00 10.00 C ATOM 89 CD GLU A 4 13.248 0.871 -5.490 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.555 0.716 -4.288 1.00 10.00 O ATOM 91 OE2 GLU A 4 14.010 1.254 -6.402 1.00 10.00 O ATOM 0 H GLU A 4 10.103 -2.991 -5.636 1.00 10.00 H new ATOM 0 HA GLU A 4 9.493 -0.433 -4.679 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.746 -1.197 -4.694 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.730 -1.465 -6.426 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.646 0.886 -6.912 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.159 1.296 -5.279 1.00 10.00 H new ATOM 98 N ALA A 5 9.225 -0.733 -7.965 1.00 10.00 N ATOM 99 CA ALA A 5 8.659 -0.134 -9.163 1.00 10.00 C ATOM 100 C ALA A 5 7.132 -0.121 -9.103 1.00 10.00 C ATOM 101 O ALA A 5 6.513 0.835 -9.558 1.00 10.00 O ATOM 102 CB ALA A 5 9.163 -0.866 -10.405 1.00 10.00 C ATOM 0 H ALA A 5 9.677 -1.633 -8.128 1.00 10.00 H new ATOM 0 HA ALA A 5 8.988 0.904 -9.222 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.733 -0.409 -11.296 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.250 -0.798 -10.451 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.866 -1.914 -10.355 1.00 10.00 H new ATOM 108 N ILE A 6 6.508 -1.129 -8.486 1.00 10.00 N ATOM 109 CA ILE A 6 5.061 -1.183 -8.379 1.00 10.00 C ATOM 110 C ILE A 6 4.613 -0.027 -7.496 1.00 10.00 C ATOM 111 O ILE A 6 3.821 0.790 -7.951 1.00 10.00 O ATOM 112 CB ILE A 6 4.599 -2.572 -7.876 1.00 10.00 C ATOM 113 CG1 ILE A 6 3.577 -3.197 -8.833 1.00 10.00 C ATOM 114 CG2 ILE A 6 4.043 -2.621 -6.445 1.00 10.00 C ATOM 115 CD1 ILE A 6 2.195 -2.555 -8.735 1.00 10.00 C ATOM 0 H ILE A 6 6.991 -1.917 -8.054 1.00 10.00 H new ATOM 0 HA ILE A 6 4.588 -1.065 -9.354 1.00 10.00 H new ATOM 0 HB ILE A 6 5.522 -3.151 -7.854 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.942 -3.105 -9.856 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.492 -4.263 -8.619 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.752 -3.643 -6.203 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.809 -2.286 -5.745 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.173 -1.968 -6.370 1.00 10.00 H new ATOM 0 HD11 ILE A 6 1.517 -3.041 -9.437 1.00 10.00 H new ATOM 0 HD12 ILE A 6 1.811 -2.670 -7.721 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.268 -1.495 -8.977 1.00 10.00 H new ATOM 127 N TYR A 7 5.184 0.151 -6.301 1.00 10.00 N ATOM 128 CA TYR A 7 4.728 1.247 -5.454 1.00 10.00 C ATOM 129 C TYR A 7 5.122 2.606 -6.046 1.00 10.00 C ATOM 130 O TYR A 7 4.301 3.515 -6.110 1.00 10.00 O ATOM 131 CB TYR A 7 5.102 1.055 -3.973 1.00 10.00 C ATOM 132 CG TYR A 7 6.348 1.781 -3.521 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.312 3.169 -3.280 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.563 1.088 -3.438 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.512 3.880 -3.111 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.761 1.803 -3.291 1.00 10.00 C ATOM 137 CZ TYR A 7 8.736 3.196 -3.148 1.00 10.00 C ATOM 138 OH TYR A 7 9.906 3.882 -3.056 1.00 10.00 O ATOM 0 H TYR A 7 5.931 -0.425 -5.913 1.00 10.00 H new ATOM 0 HA TYR A 7 3.638 1.234 -5.448 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.265 1.387 -3.358 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.234 -0.010 -3.784 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.365 3.685 -3.225 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.577 0.009 -3.487 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.492 4.948 -2.953 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.705 1.278 -3.288 1.00 10.00 H new ATOM 0 HH TYR A 7 10.459 3.491 -2.348 1.00 10.00 H new ATOM 148 N ASN A 8 6.346 2.719 -6.561 1.00 10.00 N ATOM 149 CA ASN A 8 6.900 3.938 -7.133 1.00 10.00 C ATOM 150 C ASN A 8 6.209 4.343 -8.447 1.00 10.00 C ATOM 151 O ASN A 8 6.270 5.501 -8.843 1.00 10.00 O ATOM 152 CB ASN A 8 8.403 3.710 -7.294 1.00 10.00 C ATOM 153 CG ASN A 8 9.199 4.946 -7.669 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.831 6.076 -7.382 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.337 4.733 -8.309 1.00 10.00 N ATOM 0 H ASN A 8 6.998 1.936 -6.591 1.00 10.00 H new ATOM 0 HA ASN A 8 6.720 4.784 -6.470 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.798 3.311 -6.360 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.561 2.948 -8.058 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.928 5.521 -8.574 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.623 3.781 -8.538 1.00 10.00 H new ATOM 162 N LYS A 9 5.565 3.404 -9.146 1.00 10.00 N ATOM 163 CA LYS A 9 4.680 3.676 -10.282 1.00 10.00 C ATOM 164 C LYS A 9 3.190 3.801 -9.891 1.00 10.00 C ATOM 165 O LYS A 9 2.436 4.464 -10.600 1.00 10.00 O ATOM 166 CB LYS A 9 4.907 2.609 -11.364 1.00 10.00 C ATOM 167 CG LYS A 9 4.561 3.091 -12.782 1.00 10.00 C ATOM 168 CD LYS A 9 5.641 4.006 -13.392 1.00 10.00 C ATOM 169 CE LYS A 9 6.908 3.234 -13.805 1.00 10.00 C ATOM 170 NZ LYS A 9 7.939 4.137 -14.361 1.00 10.00 N ATOM 0 H LYS A 9 5.647 2.410 -8.932 1.00 10.00 H new ATOM 0 HA LYS A 9 4.941 4.657 -10.680 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.950 2.295 -11.340 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.304 1.731 -11.130 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.420 2.225 -13.429 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.612 3.627 -12.755 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.230 4.515 -14.264 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.909 4.777 -12.669 1.00 10.00 H new ATOM 0 HE2 LYS A 9 7.312 2.708 -12.940 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.649 2.477 -14.546 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 8.778 3.583 -14.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 7.561 4.620 -15.201 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 8.204 4.843 -13.645 1.00 10.00 H new ATOM 184 N ALA A 10 2.749 3.135 -8.816 1.00 10.00 N ATOM 185 CA ALA A 10 1.341 2.997 -8.419 1.00 10.00 C ATOM 186 C ALA A 10 0.995 3.811 -7.169 1.00 10.00 C ATOM 187 O ALA A 10 0.271 4.804 -7.244 1.00 10.00 O ATOM 188 CB ALA A 10 1.004 1.521 -8.175 1.00 10.00 C ATOM 0 H ALA A 10 3.385 2.660 -8.176 1.00 10.00 H new ATOM 0 HA ALA A 10 0.743 3.390 -9.241 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.042 1.430 -7.881 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.175 0.953 -9.089 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.639 1.129 -7.381 1.00 10.00 H new ATOM 194 N CYS A 11 1.524 3.412 -6.008 1.00 10.00 N ATOM 195 CA CYS A 11 1.326 4.069 -4.717 1.00 10.00 C ATOM 196 C CYS A 11 2.197 5.351 -4.644 1.00 10.00 C ATOM 197 O CYS A 11 2.867 5.637 -3.654 1.00 10.00 O ATOM 198 CB CYS A 11 1.599 3.093 -3.578 1.00 10.00 C ATOM 199 SG CYS A 11 1.559 1.310 -3.972 1.00 10.00 S ATOM 0 H CYS A 11 2.125 2.590 -5.942 1.00 10.00 H new ATOM 0 HA CYS A 11 0.287 4.381 -4.612 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.580 3.325 -3.164 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.868 3.281 -2.791 1.00 10.00 H new ATOM 204 N THR A 12 2.186 6.141 -5.721 1.00 10.00 N ATOM 205 CA THR A 12 3.113 7.243 -5.972 1.00 10.00 C ATOM 206 C THR A 12 2.416 8.549 -6.323 1.00 10.00 C ATOM 207 O THR A 12 3.062 9.583 -6.480 1.00 10.00 O ATOM 208 CB THR A 12 4.081 6.838 -7.087 1.00 10.00 C ATOM 209 OG1 THR A 12 5.157 7.736 -7.106 1.00 10.00 O ATOM 210 CG2 THR A 12 3.407 6.846 -8.466 1.00 10.00 C ATOM 0 H THR A 12 1.504 6.024 -6.470 1.00 10.00 H new ATOM 0 HA THR A 12 3.655 7.431 -5.045 1.00 10.00 H new ATOM 0 HB THR A 12 4.420 5.822 -6.882 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.840 8.631 -6.863 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.131 6.553 -9.226 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.574 6.143 -8.468 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.037 7.848 -8.684 1.00 10.00 H new ATOM 218 N VAL A 13 1.097 8.484 -6.464 1.00 10.00 N ATOM 219 CA VAL A 13 0.249 9.568 -6.925 1.00 10.00 C ATOM 220 C VAL A 13 -0.452 10.210 -5.716 1.00 10.00 C ATOM 221 O VAL A 13 -0.659 11.419 -5.661 1.00 10.00 O ATOM 222 CB VAL A 13 -0.735 8.973 -7.946 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.479 10.109 -8.632 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.032 8.135 -9.026 1.00 10.00 C ATOM 0 H VAL A 13 0.571 7.637 -6.250 1.00 10.00 H new ATOM 0 HA VAL A 13 0.816 10.362 -7.412 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.413 8.317 -7.400 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.180 9.698 -9.359 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.026 10.688 -7.888 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.765 10.756 -9.142 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.774 7.739 -9.720 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.675 8.761 -9.569 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.502 7.309 -8.556 1.00 10.00 H new ATOM 234 N CYS A 14 -0.768 9.367 -4.730 1.00 10.00 N ATOM 235 CA CYS A 14 -1.351 9.703 -3.444 1.00 10.00 C ATOM 236 C CYS A 14 -0.287 9.681 -2.336 1.00 10.00 C ATOM 237 O CYS A 14 0.013 10.704 -1.721 1.00 10.00 O ATOM 238 CB CYS A 14 -2.430 8.682 -3.190 1.00 10.00 C ATOM 239 SG CYS A 14 -3.999 9.165 -3.963 1.00 10.00 S ATOM 0 H CYS A 14 -0.609 8.364 -4.823 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.764 10.712 -3.448 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.115 7.714 -3.579 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.574 8.563 -2.116 1.00 10.00 H new ATOM 244 N HIS A 15 0.297 8.507 -2.086 1.00 10.00 N ATOM 245 CA HIS A 15 1.047 8.206 -0.864 1.00 10.00 C ATOM 246 C HIS A 15 2.424 8.884 -0.791 1.00 10.00 C ATOM 247 O HIS A 15 2.942 9.128 0.299 1.00 10.00 O ATOM 248 CB HIS A 15 1.197 6.686 -0.772 1.00 10.00 C ATOM 249 CG HIS A 15 -0.058 5.983 -0.342 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.391 5.742 0.963 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.000 5.395 -1.145 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.498 4.976 0.945 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.929 4.759 -0.310 1.00 10.00 N ATOM 0 H HIS A 15 0.261 7.724 -2.739 1.00 10.00 H new ATOM 0 HA HIS A 15 0.487 8.609 -0.020 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.505 6.300 -1.744 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.995 6.450 -0.068 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.104 6.078 1.789 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.023 5.418 -2.225 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.980 4.585 1.829 1.00 10.00 H new ATOM 261 N SER A 16 2.997 9.208 -1.951 1.00 10.00 N ATOM 262 CA SER A 16 4.298 9.867 -2.072 1.00 10.00 C ATOM 263 C SER A 16 4.310 11.215 -1.344 1.00 10.00 C ATOM 264 O SER A 16 5.187 11.483 -0.524 1.00 10.00 O ATOM 265 CB SER A 16 4.647 10.030 -3.556 1.00 10.00 C ATOM 266 OG SER A 16 5.828 10.792 -3.703 1.00 10.00 O ATOM 0 H SER A 16 2.560 9.015 -2.852 1.00 10.00 H new ATOM 0 HA SER A 16 5.056 9.245 -1.596 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.779 9.050 -4.015 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.824 10.518 -4.078 1.00 10.00 H new ATOM 0 HG SER A 16 6.040 10.887 -4.655 1.00 10.00 H new ATOM 272 N MET A 17 3.306 12.053 -1.632 1.00 10.00 N ATOM 273 CA MET A 17 3.174 13.388 -1.053 1.00 10.00 C ATOM 274 C MET A 17 2.072 13.446 0.025 1.00 10.00 C ATOM 275 O MET A 17 2.038 14.383 0.820 1.00 10.00 O ATOM 276 CB MET A 17 2.920 14.380 -2.199 1.00 10.00 C ATOM 277 CG MET A 17 3.530 15.765 -1.952 1.00 10.00 C ATOM 278 SD MET A 17 5.230 15.967 -2.545 1.00 10.00 S ATOM 279 CE MET A 17 5.447 17.737 -2.285 1.00 10.00 C ATOM 0 H MET A 17 2.556 11.816 -2.282 1.00 10.00 H new ATOM 0 HA MET A 17 4.095 13.657 -0.536 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.330 13.970 -3.122 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.845 14.486 -2.347 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.901 16.514 -2.434 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.507 15.970 -0.882 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.448 18.031 -2.600 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.707 18.284 -2.869 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.317 17.968 -1.228 1.00 10.00 H new ATOM 289 N GLY A 18 1.161 12.463 0.048 1.00 10.00 N ATOM 290 CA GLY A 18 0.012 12.427 0.955 1.00 10.00 C ATOM 291 C GLY A 18 -1.193 13.198 0.395 1.00 10.00 C ATOM 292 O GLY A 18 -1.785 14.033 1.075 1.00 10.00 O ATOM 0 H GLY A 18 1.206 11.657 -0.576 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.274 11.391 1.136 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.297 12.851 1.918 1.00 10.00 H new ATOM 296 N VAL A 19 -1.559 12.911 -0.859 1.00 10.00 N ATOM 297 CA VAL A 19 -2.680 13.521 -1.574 1.00 10.00 C ATOM 298 C VAL A 19 -3.919 12.628 -1.446 1.00 10.00 C ATOM 299 O VAL A 19 -3.828 11.475 -1.032 1.00 10.00 O ATOM 300 CB VAL A 19 -2.285 13.802 -3.040 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.381 14.515 -3.842 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.028 14.675 -3.082 1.00 10.00 C ATOM 0 H VAL A 19 -1.062 12.221 -1.423 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.932 14.484 -1.130 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.114 12.827 -3.496 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.036 14.681 -4.863 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.279 13.898 -3.859 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.608 15.474 -3.376 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.755 14.870 -4.119 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.224 15.620 -2.575 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.209 14.158 -2.582 1.00 10.00 H new ATOM 312 N ALA A 20 -5.101 13.186 -1.713 1.00 10.00 N ATOM 313 CA ALA A 20 -6.395 12.525 -1.526 1.00 10.00 C ATOM 314 C ALA A 20 -6.650 12.101 -0.068 1.00 10.00 C ATOM 315 O ALA A 20 -7.482 11.238 0.196 1.00 10.00 O ATOM 316 CB ALA A 20 -6.532 11.352 -2.503 1.00 10.00 C ATOM 0 H ALA A 20 -5.188 14.136 -2.075 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.173 13.255 -1.751 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.497 10.867 -2.356 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.463 11.721 -3.526 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.733 10.633 -2.322 1.00 10.00 H new ATOM 322 N GLY A 21 -5.918 12.702 0.877 1.00 10.00 N ATOM 323 CA GLY A 21 -5.929 12.320 2.284 1.00 10.00 C ATOM 324 C GLY A 21 -5.120 11.048 2.566 1.00 10.00 C ATOM 325 O GLY A 21 -5.312 10.418 3.599 1.00 10.00 O ATOM 0 H GLY A 21 -5.291 13.481 0.676 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.527 13.139 2.880 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.959 12.167 2.605 1.00 10.00 H new ATOM 329 N ALA A 22 -4.224 10.646 1.657 1.00 10.00 N ATOM 330 CA ALA A 22 -3.438 9.432 1.826 1.00 10.00 C ATOM 331 C ALA A 22 -2.358 9.571 2.918 1.00 10.00 C ATOM 332 O ALA A 22 -1.807 10.653 3.122 1.00 10.00 O ATOM 333 CB ALA A 22 -2.835 9.040 0.477 1.00 10.00 C ATOM 0 H ALA A 22 -4.029 11.152 0.793 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.099 8.637 2.172 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.244 8.131 0.593 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.635 8.863 -0.242 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.195 9.845 0.117 1.00 10.00 H new ATOM 339 N PRO A 23 -2.033 8.467 3.608 1.00 10.00 N ATOM 340 CA PRO A 23 -1.028 8.406 4.658 1.00 10.00 C ATOM 341 C PRO A 23 0.374 8.412 4.050 1.00 10.00 C ATOM 342 O PRO A 23 0.570 7.965 2.915 1.00 10.00 O ATOM 343 CB PRO A 23 -1.310 7.094 5.376 1.00 10.00 C ATOM 344 CG PRO A 23 -1.845 6.202 4.278 1.00 10.00 C ATOM 345 CD PRO A 23 -2.639 7.168 3.413 1.00 10.00 C ATOM 0 HA PRO A 23 -1.071 9.259 5.335 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.408 6.680 5.826 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.036 7.223 6.179 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.041 5.725 3.717 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.474 5.405 4.675 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.602 6.874 2.364 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.689 7.180 3.704 1.00 10.00 H new ATOM 353 N LYS A 24 1.353 8.902 4.816 1.00 10.00 N ATOM 354 CA LYS A 24 2.702 9.106 4.296 1.00 10.00 C ATOM 355 C LYS A 24 3.398 7.775 3.976 1.00 10.00 C ATOM 356 O LYS A 24 3.245 6.796 4.716 1.00 10.00 O ATOM 357 CB LYS A 24 3.525 9.931 5.299 1.00 10.00 C ATOM 358 CG LYS A 24 3.162 11.427 5.273 1.00 10.00 C ATOM 359 CD LYS A 24 2.775 11.943 6.666 1.00 10.00 C ATOM 360 CE LYS A 24 2.678 13.474 6.659 1.00 10.00 C ATOM 361 NZ LYS A 24 2.263 14.000 7.979 1.00 10.00 N ATOM 0 H LYS A 24 1.234 9.163 5.795 1.00 10.00 H new ATOM 0 HA LYS A 24 2.626 9.657 3.358 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.365 9.539 6.304 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.586 9.814 5.076 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.009 12.000 4.895 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.334 11.588 4.582 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.820 11.513 6.968 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.515 11.622 7.399 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.643 13.899 6.385 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.963 13.790 5.900 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 2.208 15.038 7.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 1.330 13.613 8.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.959 13.719 8.699 1.00 10.00 H new ATOM 375 N SER A 25 4.210 7.774 2.906 1.00 10.00 N ATOM 376 CA SER A 25 5.145 6.706 2.537 1.00 10.00 C ATOM 377 C SER A 25 5.774 5.993 3.743 1.00 10.00 C ATOM 378 O SER A 25 5.878 4.772 3.747 1.00 10.00 O ATOM 379 CB SER A 25 6.250 7.270 1.630 1.00 10.00 C ATOM 380 OG SER A 25 5.756 7.430 0.315 1.00 10.00 O ATOM 0 H SER A 25 4.231 8.553 2.248 1.00 10.00 H new ATOM 0 HA SER A 25 4.561 5.955 2.005 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.597 8.228 2.017 1.00 10.00 H new ATOM 0 HB3 SER A 25 7.108 6.598 1.626 1.00 10.00 H new ATOM 0 HG SER A 25 4.902 7.909 0.343 1.00 10.00 H new ATOM 386 N HIS A 26 6.191 6.743 4.764 1.00 10.00 N ATOM 387 CA HIS A 26 6.685 6.181 6.014 1.00 10.00 C ATOM 388 C HIS A 26 6.242 7.063 7.191 1.00 10.00 C ATOM 389 O HIS A 26 6.692 8.195 7.354 1.00 10.00 O ATOM 390 CB HIS A 26 8.202 5.973 5.925 1.00 10.00 C ATOM 391 CG HIS A 26 8.968 7.208 5.530 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.211 8.290 6.341 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.415 7.524 4.276 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.806 9.234 5.597 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.950 8.814 4.328 1.00 10.00 N ATOM 0 H HIS A 26 6.194 7.763 4.743 1.00 10.00 H new ATOM 0 HA HIS A 26 6.253 5.196 6.193 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.568 5.625 6.891 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.408 5.183 5.202 1.00 10.00 H new ATOM 0 HD1 HIS A 26 8.980 8.362 7.332 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.364 6.890 3.403 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.125 10.198 5.966 1.00 10.00 H new ATOM 403 N ASN A 27 5.327 6.540 8.003 1.00 10.00 N ATOM 404 CA ASN A 27 4.837 7.143 9.239 1.00 10.00 C ATOM 405 C ASN A 27 4.954 6.063 10.326 1.00 10.00 C ATOM 406 O ASN A 27 5.041 4.884 9.989 1.00 10.00 O ATOM 407 CB ASN A 27 3.363 7.560 9.030 1.00 10.00 C ATOM 408 CG ASN A 27 3.060 9.054 9.037 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.865 9.872 9.463 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.864 9.453 8.610 1.00 10.00 N ATOM 0 H ASN A 27 4.886 5.641 7.807 1.00 10.00 H new ATOM 0 HA ASN A 27 5.404 8.029 9.526 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.027 7.150 8.078 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.764 7.089 9.809 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.617 10.442 8.637 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.195 8.770 8.255 1.00 10.00 H new ATOM 417 N THR A 28 4.904 6.434 11.609 1.00 10.00 N ATOM 418 CA THR A 28 4.777 5.426 12.670 1.00 10.00 C ATOM 419 C THR A 28 3.369 5.424 13.263 1.00 10.00 C ATOM 420 O THR A 28 2.781 4.361 13.401 1.00 10.00 O ATOM 421 CB THR A 28 5.834 5.675 13.755 1.00 10.00 C ATOM 422 OG1 THR A 28 7.109 5.603 13.156 1.00 10.00 O ATOM 423 CG2 THR A 28 5.785 4.628 14.869 1.00 10.00 C ATOM 0 H THR A 28 4.948 7.400 11.935 1.00 10.00 H new ATOM 0 HA THR A 28 4.948 4.441 12.236 1.00 10.00 H new ATOM 0 HB THR A 28 5.634 6.653 14.194 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.798 5.761 13.834 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.552 4.850 15.611 1.00 10.00 H new ATOM 0 HG22 THR A 28 4.804 4.648 15.344 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.963 3.639 14.447 1.00 10.00 H new ATOM 431 N ALA A 29 2.719 6.583 13.394 1.00 10.00 N ATOM 432 CA ALA A 29 1.361 6.648 13.937 1.00 10.00 C ATOM 433 C ALA A 29 0.300 6.168 12.939 1.00 10.00 C ATOM 434 O ALA A 29 -0.767 5.697 13.321 1.00 10.00 O ATOM 435 CB ALA A 29 1.079 8.078 14.372 1.00 10.00 C ATOM 0 H ALA A 29 3.111 7.488 13.132 1.00 10.00 H new ATOM 0 HA ALA A 29 1.303 5.972 14.790 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.070 8.142 14.779 1.00 10.00 H new ATOM 0 HB2 ALA A 29 1.798 8.374 15.136 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.167 8.744 13.513 1.00 10.00 H new ATOM 441 N ASP A 30 0.606 6.290 11.648 1.00 10.00 N ATOM 442 CA ASP A 30 -0.247 5.922 10.534 1.00 10.00 C ATOM 443 C ASP A 30 -0.003 4.459 10.124 1.00 10.00 C ATOM 444 O ASP A 30 -0.695 3.898 9.280 1.00 10.00 O ATOM 445 CB ASP A 30 0.141 6.909 9.439 1.00 10.00 C ATOM 446 CG ASP A 30 -0.953 7.373 8.525 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.032 6.735 8.490 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.597 8.364 7.849 1.00 10.00 O ATOM 0 H ASP A 30 1.503 6.668 11.342 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.311 5.975 10.764 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.581 7.786 9.913 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.920 6.451 8.830 1.00 10.00 H new ATOM 453 N TRP A 31 1.022 3.827 10.692 1.00 10.00 N ATOM 454 CA TRP A 31 1.334 2.428 10.458 1.00 10.00 C ATOM 455 C TRP A 31 1.054 1.608 11.733 1.00 10.00 C ATOM 456 O TRP A 31 0.580 0.479 11.623 1.00 10.00 O ATOM 457 CB TRP A 31 2.743 2.342 9.852 1.00 10.00 C ATOM 458 CG TRP A 31 2.878 2.959 8.473 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.829 4.283 8.205 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.030 2.325 7.164 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.943 4.527 6.855 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.031 3.349 6.162 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.130 0.993 6.706 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.079 3.075 4.792 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.195 0.711 5.329 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.073 1.740 4.378 1.00 10.00 C ATOM 0 H TRP A 31 1.666 4.284 11.337 1.00 10.00 H new ATOM 0 HA TRP A 31 0.685 1.960 9.718 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.444 2.834 10.526 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.037 1.294 9.797 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.715 5.052 8.955 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.960 5.454 6.431 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.157 0.183 7.420 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.120 3.877 4.070 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.340 -0.307 4.999 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.975 1.499 3.330 1.00 10.00 H new ATOM 477 N GLU A 32 1.184 2.195 12.934 1.00 10.00 N ATOM 478 CA GLU A 32 0.758 1.618 14.216 1.00 10.00 C ATOM 479 C GLU A 32 -0.584 0.860 14.156 1.00 10.00 C ATOM 480 O GLU A 32 -0.606 -0.347 14.401 1.00 10.00 O ATOM 481 CB GLU A 32 0.733 2.717 15.295 1.00 10.00 C ATOM 482 CG GLU A 32 2.041 2.775 16.098 1.00 10.00 C ATOM 483 CD GLU A 32 2.065 3.963 17.052 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.424 3.839 18.116 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.710 4.972 16.692 1.00 10.00 O ATOM 0 H GLU A 32 1.604 3.118 13.041 1.00 10.00 H new ATOM 0 HA GLU A 32 1.495 0.858 14.477 1.00 10.00 H new ATOM 0 HB2 GLU A 32 0.556 3.683 14.822 1.00 10.00 H new ATOM 0 HB3 GLU A 32 -0.100 2.537 15.974 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.162 1.851 16.664 1.00 10.00 H new ATOM 0 HG3 GLU A 32 2.886 2.842 15.413 1.00 10.00 H new ATOM 492 N PRO A 33 -1.712 1.506 13.793 1.00 10.00 N ATOM 493 CA PRO A 33 -3.017 0.851 13.782 1.00 10.00 C ATOM 494 C PRO A 33 -3.159 -0.239 12.703 1.00 10.00 C ATOM 495 O PRO A 33 -4.225 -0.836 12.580 1.00 10.00 O ATOM 496 CB PRO A 33 -4.041 1.981 13.621 1.00 10.00 C ATOM 497 CG PRO A 33 -3.265 3.095 12.922 1.00 10.00 C ATOM 498 CD PRO A 33 -1.838 2.910 13.432 1.00 10.00 C ATOM 0 HA PRO A 33 -3.172 0.297 14.708 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.898 1.660 13.028 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -4.426 2.309 14.586 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.319 3.002 11.837 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.658 4.079 13.177 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -1.113 3.181 12.665 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.646 3.551 14.292 1.00 10.00 H new ATOM 506 N ARG A 34 -2.101 -0.517 11.932 1.00 10.00 N ATOM 507 CA ARG A 34 -2.047 -1.569 10.927 1.00 10.00 C ATOM 508 C ARG A 34 -1.035 -2.669 11.346 1.00 10.00 C ATOM 509 O ARG A 34 -1.376 -3.855 11.392 1.00 10.00 O ATOM 510 CB ARG A 34 -1.788 -0.887 9.569 1.00 10.00 C ATOM 511 CG ARG A 34 -2.966 0.032 9.161 1.00 10.00 C ATOM 512 CD ARG A 34 -2.691 1.539 9.312 1.00 10.00 C ATOM 513 NE ARG A 34 -3.949 2.329 9.243 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.112 3.624 8.906 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.101 4.360 8.475 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.302 4.203 9.005 1.00 10.00 N ATOM 0 H ARG A 34 -1.229 0.008 11.999 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.985 -2.116 10.832 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.870 -0.301 9.624 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.636 -1.647 8.802 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -3.226 -0.173 8.123 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.836 -0.227 9.764 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.194 1.726 10.264 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.010 1.867 8.527 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.802 1.824 9.483 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.171 3.950 8.391 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -3.252 5.338 8.226 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.104 3.668 9.339 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.415 5.183 8.748 1.00 10.00 H new ATOM 530 N LEU A 35 0.173 -2.277 11.774 1.00 10.00 N ATOM 531 CA LEU A 35 1.215 -3.156 12.331 1.00 10.00 C ATOM 532 C LEU A 35 0.786 -3.837 13.644 1.00 10.00 C ATOM 533 O LEU A 35 1.373 -4.839 14.046 1.00 10.00 O ATOM 534 CB LEU A 35 2.519 -2.350 12.559 1.00 10.00 C ATOM 535 CG LEU A 35 3.801 -2.945 11.942 1.00 10.00 C ATOM 536 CD1 LEU A 35 5.011 -2.097 12.349 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.056 -4.409 12.315 1.00 10.00 C ATOM 0 H LEU A 35 0.464 -1.300 11.741 1.00 10.00 H new ATOM 0 HA LEU A 35 1.385 -3.948 11.602 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.378 -1.347 12.156 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.673 -2.243 13.633 1.00 10.00 H new ATOM 0 HG LEU A 35 3.653 -2.926 10.862 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.915 -2.520 11.912 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.877 -1.076 11.990 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.102 -2.091 13.435 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.976 -4.750 11.841 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.151 -4.497 13.397 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.222 -5.022 11.973 1.00 10.00 H new ATOM 549 N ALA A 36 -0.239 -3.302 14.313 1.00 10.00 N ATOM 550 CA ALA A 36 -0.785 -3.833 15.555 1.00 10.00 C ATOM 551 C ALA A 36 -1.613 -5.080 15.258 1.00 10.00 C ATOM 552 O ALA A 36 -1.682 -5.996 16.072 1.00 10.00 O ATOM 553 CB ALA A 36 -1.648 -2.760 16.228 1.00 10.00 C ATOM 0 H ALA A 36 -0.723 -2.463 13.992 1.00 10.00 H new ATOM 0 HA ALA A 36 0.026 -4.108 16.230 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.058 -3.154 17.158 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.037 -1.884 16.443 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.464 -2.478 15.562 1.00 10.00 H new ATOM 559 N LYS A 37 -2.234 -5.110 14.072 1.00 10.00 N ATOM 560 CA LYS A 37 -2.902 -6.295 13.576 1.00 10.00 C ATOM 561 C LYS A 37 -1.876 -7.296 13.032 1.00 10.00 C ATOM 562 O LYS A 37 -1.837 -8.444 13.468 1.00 10.00 O ATOM 563 CB LYS A 37 -3.942 -5.909 12.518 1.00 10.00 C ATOM 564 CG LYS A 37 -5.239 -5.373 13.136 1.00 10.00 C ATOM 565 CD LYS A 37 -6.190 -6.535 13.469 1.00 10.00 C ATOM 566 CE LYS A 37 -7.570 -6.002 13.874 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.552 -7.100 14.016 1.00 10.00 N ATOM 0 H LYS A 37 -2.281 -4.311 13.440 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.430 -6.782 14.396 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.519 -5.153 11.857 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.169 -6.779 11.903 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.013 -4.808 14.040 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.723 -4.685 12.443 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.287 -7.192 12.605 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.773 -7.133 14.279 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.490 -5.459 14.816 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.922 -5.292 13.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.475 -6.707 14.290 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.645 -7.602 13.110 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.227 -7.764 14.748 1.00 10.00 H new ATOM 581 N GLY A 38 -1.050 -6.856 12.076 1.00 10.00 N ATOM 582 CA GLY A 38 0.066 -7.650 11.562 1.00 10.00 C ATOM 583 C GLY A 38 0.360 -7.341 10.092 1.00 10.00 C ATOM 584 O GLY A 38 0.743 -6.225 9.757 1.00 10.00 O ATOM 0 H GLY A 38 -1.138 -5.939 11.638 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.956 -7.453 12.159 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.163 -8.710 11.671 1.00 10.00 H new ATOM 588 N VAL A 39 0.145 -8.328 9.219 1.00 10.00 N ATOM 589 CA VAL A 39 0.277 -8.223 7.771 1.00 10.00 C ATOM 590 C VAL A 39 -0.868 -8.970 7.092 1.00 10.00 C ATOM 591 O VAL A 39 -1.651 -9.641 7.758 1.00 10.00 O ATOM 592 CB VAL A 39 1.650 -8.737 7.299 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.630 -7.566 7.276 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.213 -9.888 8.146 1.00 10.00 C ATOM 0 H VAL A 39 -0.138 -9.261 9.519 1.00 10.00 H new ATOM 0 HA VAL A 39 0.217 -7.172 7.487 1.00 10.00 H new ATOM 0 HB VAL A 39 1.512 -9.153 6.301 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.607 -7.916 6.943 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.266 -6.800 6.591 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.717 -7.145 8.278 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.181 -10.192 7.749 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.332 -9.556 9.177 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.526 -10.733 8.114 1.00 10.00 H new ATOM 604 N ASP A 40 -1.021 -8.761 5.782 1.00 10.00 N ATOM 605 CA ASP A 40 -2.117 -9.277 4.967 1.00 10.00 C ATOM 606 C ASP A 40 -3.431 -8.488 5.186 1.00 10.00 C ATOM 607 O ASP A 40 -4.187 -8.209 4.257 1.00 10.00 O ATOM 608 CB ASP A 40 -2.233 -10.802 5.142 1.00 10.00 C ATOM 609 CG ASP A 40 -2.549 -11.485 3.825 1.00 10.00 C ATOM 610 OD1 ASP A 40 -3.743 -11.492 3.461 1.00 10.00 O ATOM 611 OD2 ASP A 40 -1.570 -11.956 3.207 1.00 10.00 O ATOM 0 H ASP A 40 -0.358 -8.206 5.242 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.892 -9.112 3.913 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.300 -11.196 5.544 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -3.014 -11.029 5.868 1.00 10.00 H new ATOM 616 N ASN A 41 -3.666 -8.010 6.412 1.00 10.00 N ATOM 617 CA ASN A 41 -4.888 -7.291 6.787 1.00 10.00 C ATOM 618 C ASN A 41 -5.164 -6.043 5.943 1.00 10.00 C ATOM 619 O ASN A 41 -6.301 -5.584 5.892 1.00 10.00 O ATOM 620 CB ASN A 41 -4.862 -6.826 8.257 1.00 10.00 C ATOM 621 CG ASN A 41 -3.864 -7.512 9.174 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.820 -6.796 9.567 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.040 -8.656 9.564 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.005 -8.113 7.182 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.674 -8.026 6.615 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.657 -5.756 8.271 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.859 -6.965 8.675 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.852 -9.184 9.245 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.375 -9.083 10.208 1.00 10.00 H new ATOM 630 N LEU A 42 -4.121 -5.459 5.354 1.00 10.00 N ATOM 631 CA LEU A 42 -4.203 -4.257 4.537 1.00 10.00 C ATOM 632 C LEU A 42 -4.047 -4.568 3.042 1.00 10.00 C ATOM 633 O LEU A 42 -4.716 -3.950 2.214 1.00 10.00 O ATOM 634 CB LEU A 42 -3.136 -3.280 5.020 1.00 10.00 C ATOM 635 CG LEU A 42 -3.538 -2.428 6.244 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.798 -1.606 5.984 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.743 -3.231 7.528 1.00 10.00 C ATOM 0 H LEU A 42 -3.171 -5.822 5.437 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.191 -3.810 4.648 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.235 -3.842 5.267 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.879 -2.611 4.199 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.683 -1.769 6.394 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.042 -1.023 6.872 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.626 -0.933 5.144 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.627 -2.274 5.750 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.023 -2.557 8.338 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.535 -3.964 7.376 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.817 -3.745 7.787 1.00 10.00 H new ATOM 649 N VAL A 43 -3.234 -5.567 2.674 1.00 10.00 N ATOM 650 CA VAL A 43 -3.195 -6.053 1.294 1.00 10.00 C ATOM 651 C VAL A 43 -4.603 -6.490 0.857 1.00 10.00 C ATOM 652 O VAL A 43 -5.018 -6.242 -0.279 1.00 10.00 O ATOM 653 CB VAL A 43 -2.115 -7.137 1.094 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.592 -8.569 1.340 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.595 -7.121 -0.344 1.00 10.00 C ATOM 0 H VAL A 43 -2.599 -6.050 3.310 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.893 -5.238 0.636 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.353 -6.884 1.831 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.766 -9.261 1.176 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.946 -8.663 2.367 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.405 -8.805 0.653 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.834 -7.892 -0.464 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.419 -7.313 -1.031 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.160 -6.146 -0.563 1.00 10.00 H new ATOM 665 N LYS A 44 -5.395 -7.057 1.785 1.00 10.00 N ATOM 666 CA LYS A 44 -6.810 -7.269 1.502 1.00 10.00 C ATOM 667 C LYS A 44 -7.583 -5.978 1.176 1.00 10.00 C ATOM 668 O LYS A 44 -8.387 -5.958 0.246 1.00 10.00 O ATOM 669 CB LYS A 44 -7.506 -8.126 2.558 1.00 10.00 C ATOM 670 CG LYS A 44 -7.374 -7.536 3.958 1.00 10.00 C ATOM 671 CD LYS A 44 -8.655 -7.661 4.785 1.00 10.00 C ATOM 672 CE LYS A 44 -9.362 -6.300 4.839 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.726 -6.415 5.396 1.00 10.00 N ATOM 0 H LYS A 44 -5.085 -7.365 2.706 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.827 -7.849 0.579 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.562 -8.224 2.305 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.081 -9.130 2.547 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.560 -8.037 4.482 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.101 -6.484 3.878 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.314 -8.408 4.344 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.418 -8.000 5.793 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.777 -5.610 5.447 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.413 -5.876 3.836 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.173 -5.476 5.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.291 -7.054 4.801 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.675 -6.796 6.362 1.00 10.00 H new ATOM 687 N SER A 45 -7.359 -4.883 1.907 1.00 10.00 N ATOM 688 CA SER A 45 -8.054 -3.630 1.635 1.00 10.00 C ATOM 689 C SER A 45 -7.638 -3.073 0.271 1.00 10.00 C ATOM 690 O SER A 45 -8.467 -2.587 -0.496 1.00 10.00 O ATOM 691 CB SER A 45 -7.734 -2.616 2.724 1.00 10.00 C ATOM 692 OG SER A 45 -8.136 -3.047 4.009 1.00 10.00 O ATOM 0 H SER A 45 -6.704 -4.842 2.688 1.00 10.00 H new ATOM 0 HA SER A 45 -9.127 -3.821 1.623 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.661 -2.422 2.730 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.227 -1.672 2.492 1.00 10.00 H new ATOM 0 HG SER A 45 -7.895 -2.367 4.672 1.00 10.00 H new ATOM 698 N VAL A 46 -6.347 -3.194 -0.047 1.00 10.00 N ATOM 699 CA VAL A 46 -5.794 -2.785 -1.330 1.00 10.00 C ATOM 700 C VAL A 46 -6.520 -3.488 -2.486 1.00 10.00 C ATOM 701 O VAL A 46 -7.027 -2.841 -3.402 1.00 10.00 O ATOM 702 CB VAL A 46 -4.274 -3.020 -1.312 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.623 -3.058 -2.693 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.565 -1.965 -0.463 1.00 10.00 C ATOM 0 H VAL A 46 -5.652 -3.584 0.590 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.956 -1.720 -1.497 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.155 -4.011 -0.875 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.552 -3.228 -2.586 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.061 -3.865 -3.280 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.791 -2.108 -3.201 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.492 -2.155 -0.468 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.760 -0.975 -0.875 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.937 -2.011 0.560 1.00 10.00 H new ATOM 714 N LYS A 47 -6.625 -4.818 -2.420 1.00 10.00 N ATOM 715 CA LYS A 47 -7.361 -5.599 -3.416 1.00 10.00 C ATOM 716 C LYS A 47 -8.859 -5.261 -3.455 1.00 10.00 C ATOM 717 O LYS A 47 -9.465 -5.231 -4.522 1.00 10.00 O ATOM 718 CB LYS A 47 -7.015 -7.084 -3.266 1.00 10.00 C ATOM 719 CG LYS A 47 -8.028 -7.917 -2.470 1.00 10.00 C ATOM 720 CD LYS A 47 -7.314 -8.997 -1.652 1.00 10.00 C ATOM 721 CE LYS A 47 -7.064 -10.306 -2.402 1.00 10.00 C ATOM 722 NZ LYS A 47 -6.290 -11.249 -1.559 1.00 10.00 N ATOM 0 H LYS A 47 -6.205 -5.380 -1.680 1.00 10.00 H new ATOM 0 HA LYS A 47 -7.034 -5.313 -4.415 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.914 -7.519 -4.260 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -6.042 -7.166 -2.782 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.599 -7.268 -1.806 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.741 -8.381 -3.152 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.358 -8.602 -1.310 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.907 -9.211 -0.763 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -8.015 -10.758 -2.684 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.521 -10.105 -3.325 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.129 -12.132 -2.084 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.375 -10.822 -1.311 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -6.822 -11.455 -0.690 1.00 10.00 H new ATOM 736 N THR A 48 -9.436 -4.931 -2.297 1.00 10.00 N ATOM 737 CA THR A 48 -10.849 -4.562 -2.181 1.00 10.00 C ATOM 738 C THR A 48 -11.140 -3.170 -2.771 1.00 10.00 C ATOM 739 O THR A 48 -12.272 -2.917 -3.175 1.00 10.00 O ATOM 740 CB THR A 48 -11.269 -4.647 -0.704 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.133 -5.982 -0.260 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.723 -4.258 -0.436 1.00 10.00 C ATOM 0 H THR A 48 -8.934 -4.912 -1.409 1.00 10.00 H new ATOM 0 HA THR A 48 -11.441 -5.265 -2.767 1.00 10.00 H new ATOM 0 HB THR A 48 -10.623 -3.942 -0.181 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.196 -6.157 -0.032 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.933 -4.347 0.630 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.889 -3.229 -0.754 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.385 -4.921 -0.993 1.00 10.00 H new ATOM 750 N GLY A 49 -10.149 -2.272 -2.852 1.00 10.00 N ATOM 751 CA GLY A 49 -10.360 -0.920 -3.371 1.00 10.00 C ATOM 752 C GLY A 49 -11.021 0.004 -2.341 1.00 10.00 C ATOM 753 O GLY A 49 -12.244 0.062 -2.230 1.00 10.00 O ATOM 0 H GLY A 49 -9.190 -2.462 -2.562 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.402 -0.496 -3.674 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.983 -0.969 -4.264 1.00 10.00 H new ATOM 757 N LEU A 50 -10.206 0.729 -1.570 1.00 10.00 N ATOM 758 CA LEU A 50 -10.696 1.720 -0.612 1.00 10.00 C ATOM 759 C LEU A 50 -11.347 2.931 -1.316 1.00 10.00 C ATOM 760 O LEU A 50 -11.423 3.014 -2.536 1.00 10.00 O ATOM 761 CB LEU A 50 -9.541 2.136 0.310 1.00 10.00 C ATOM 762 CG LEU A 50 -9.978 2.512 1.736 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.621 1.381 2.698 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.273 3.803 2.168 1.00 10.00 C ATOM 0 H LEU A 50 -9.190 0.645 -1.593 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.485 1.273 -0.007 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.823 1.318 0.366 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.023 2.985 -0.135 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.056 2.670 1.753 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -9.932 1.650 3.707 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.132 0.468 2.392 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.544 1.216 2.682 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.585 4.067 3.179 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.194 3.652 2.149 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.539 4.609 1.484 1.00 10.00 H new ATOM 776 N ASN A 51 -11.816 3.912 -0.548 1.00 10.00 N ATOM 777 CA ASN A 51 -12.751 4.958 -0.998 1.00 10.00 C ATOM 778 C ASN A 51 -12.201 5.708 -2.206 1.00 10.00 C ATOM 779 O ASN A 51 -12.808 5.826 -3.264 1.00 10.00 O ATOM 780 CB ASN A 51 -13.013 5.969 0.140 1.00 10.00 C ATOM 781 CG ASN A 51 -13.043 5.333 1.518 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.504 4.100 1.604 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -12.505 5.865 2.477 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.553 4.010 0.433 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.682 4.466 -1.280 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.239 6.736 0.119 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -13.964 6.470 -0.041 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -12.152 6.819 2.399 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -12.409 5.355 3.355 1.00 10.00 H new ATOM 790 N ALA A 52 -10.997 6.207 -1.968 1.00 10.00 N ATOM 791 CA ALA A 52 -10.132 6.921 -2.882 1.00 10.00 C ATOM 792 C ALA A 52 -9.082 5.994 -3.523 1.00 10.00 C ATOM 793 O ALA A 52 -8.048 6.476 -3.982 1.00 10.00 O ATOM 794 CB ALA A 52 -9.485 8.001 -2.022 1.00 10.00 C ATOM 0 H ALA A 52 -10.567 6.111 -1.048 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.682 7.339 -3.725 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -8.808 8.596 -2.634 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.258 8.646 -1.605 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -8.925 7.534 -1.211 1.00 10.00 H new ATOM 800 N MET A 53 -9.322 4.672 -3.535 1.00 10.00 N ATOM 801 CA MET A 53 -8.374 3.679 -4.060 1.00 10.00 C ATOM 802 C MET A 53 -9.019 2.677 -5.043 1.00 10.00 C ATOM 803 O MET A 53 -10.015 2.040 -4.706 1.00 10.00 O ATOM 804 CB MET A 53 -7.764 2.933 -2.867 1.00 10.00 C ATOM 805 CG MET A 53 -6.245 3.044 -2.809 1.00 10.00 C ATOM 806 SD MET A 53 -5.619 2.655 -1.160 1.00 10.00 S ATOM 807 CE MET A 53 -5.520 0.857 -1.235 1.00 10.00 C ATOM 0 H MET A 53 -10.185 4.261 -3.178 1.00 10.00 H new ATOM 0 HA MET A 53 -7.611 4.206 -4.632 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.187 3.328 -1.943 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.044 1.881 -2.922 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.801 2.366 -3.538 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.941 4.053 -3.086 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.182 0.471 -0.273 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.504 0.448 -1.465 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.814 0.564 -2.012 1.00 10.00 H new ATOM 817 N PRO A 54 -8.461 2.471 -6.248 1.00 10.00 N ATOM 818 CA PRO A 54 -9.014 1.504 -7.188 1.00 10.00 C ATOM 819 C PRO A 54 -8.792 0.060 -6.695 1.00 10.00 C ATOM 820 O PRO A 54 -7.904 -0.189 -5.876 1.00 10.00 O ATOM 821 CB PRO A 54 -8.327 1.806 -8.523 1.00 10.00 C ATOM 822 CG PRO A 54 -6.988 2.417 -8.116 1.00 10.00 C ATOM 823 CD PRO A 54 -7.266 3.104 -6.780 1.00 10.00 C ATOM 0 HA PRO A 54 -10.096 1.588 -7.291 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.190 0.901 -9.116 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.914 2.497 -9.127 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.218 1.652 -8.015 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.635 3.129 -8.862 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.424 2.986 -6.097 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.418 4.175 -6.916 1.00 10.00 H new ATOM 831 N PRO A 55 -9.602 -0.903 -7.171 1.00 10.00 N ATOM 832 CA PRO A 55 -9.533 -2.295 -6.742 1.00 10.00 C ATOM 833 C PRO A 55 -8.181 -2.895 -7.139 1.00 10.00 C ATOM 834 O PRO A 55 -7.871 -2.988 -8.324 1.00 10.00 O ATOM 835 CB PRO A 55 -10.717 -2.991 -7.423 1.00 10.00 C ATOM 836 CG PRO A 55 -10.962 -2.145 -8.673 1.00 10.00 C ATOM 837 CD PRO A 55 -10.607 -0.733 -8.209 1.00 10.00 C ATOM 0 HA PRO A 55 -9.601 -2.413 -5.661 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.482 -4.024 -7.678 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.594 -3.014 -6.776 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.336 -2.465 -9.506 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.997 -2.211 -9.008 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.221 -0.135 -9.034 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.485 -0.215 -7.823 1.00 10.00 H new ATOM 845 N GLY A 56 -7.351 -3.246 -6.152 1.00 10.00 N ATOM 846 CA GLY A 56 -5.974 -3.650 -6.397 1.00 10.00 C ATOM 847 C GLY A 56 -4.963 -2.505 -6.314 1.00 10.00 C ATOM 848 O GLY A 56 -3.803 -2.682 -6.692 1.00 10.00 O ATOM 0 H GLY A 56 -7.618 -3.256 -5.168 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.698 -4.417 -5.674 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.911 -4.105 -7.385 1.00 10.00 H new ATOM 852 N GLY A 57 -5.359 -1.335 -5.803 1.00 10.00 N ATOM 853 CA GLY A 57 -4.454 -0.220 -5.538 1.00 10.00 C ATOM 854 C GLY A 57 -4.078 0.574 -6.795 1.00 10.00 C ATOM 855 O GLY A 57 -4.078 1.803 -6.755 1.00 10.00 O ATOM 0 H GLY A 57 -6.330 -1.137 -5.560 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.920 0.453 -4.819 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.545 -0.602 -5.074 1.00 10.00 H new ATOM 859 N MET A 58 -3.764 -0.127 -7.895 1.00 10.00 N ATOM 860 CA MET A 58 -3.535 0.430 -9.228 1.00 10.00 C ATOM 861 C MET A 58 -3.408 -0.672 -10.297 1.00 10.00 C ATOM 862 O MET A 58 -4.008 -0.589 -11.365 1.00 10.00 O ATOM 863 CB MET A 58 -2.271 1.298 -9.205 1.00 10.00 C ATOM 864 CG MET A 58 -2.328 2.475 -10.182 1.00 10.00 C ATOM 865 SD MET A 58 -1.147 2.434 -11.552 1.00 10.00 S ATOM 866 CE MET A 58 -1.170 4.177 -12.011 1.00 10.00 C ATOM 0 H MET A 58 -3.659 -1.141 -7.874 1.00 10.00 H new ATOM 0 HA MET A 58 -4.398 1.040 -9.495 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.119 1.680 -8.195 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.408 0.677 -9.445 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.334 2.526 -10.598 1.00 10.00 H new ATOM 0 HG3 MET A 58 -2.169 3.395 -9.620 1.00 10.00 H new ATOM 0 HE1 MET A 58 -0.493 4.342 -12.849 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.181 4.464 -12.300 1.00 10.00 H new ATOM 0 HE3 MET A 58 -0.850 4.781 -11.162 1.00 10.00 H new ATOM 876 N CYS A 59 -2.600 -1.698 -10.005 1.00 10.00 N ATOM 877 CA CYS A 59 -2.368 -2.861 -10.864 1.00 10.00 C ATOM 878 C CYS A 59 -3.515 -3.888 -10.755 1.00 10.00 C ATOM 879 O CYS A 59 -4.230 -3.913 -9.755 1.00 10.00 O ATOM 880 CB CYS A 59 -0.981 -3.443 -10.512 1.00 10.00 C ATOM 881 SG CYS A 59 -0.757 -5.234 -10.649 1.00 10.00 S ATOM 0 H CYS A 59 -2.072 -1.741 -9.133 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.364 -2.567 -11.914 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.243 -2.963 -11.155 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.747 -3.154 -9.488 1.00 10.00 H new ATOM 886 N THR A 60 -3.650 -4.756 -11.768 1.00 10.00 N ATOM 887 CA THR A 60 -4.613 -5.867 -11.797 1.00 10.00 C ATOM 888 C THR A 60 -3.940 -7.220 -11.526 1.00 10.00 C ATOM 889 O THR A 60 -4.249 -7.882 -10.538 1.00 10.00 O ATOM 890 CB THR A 60 -5.356 -5.890 -13.143 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.091 -4.693 -13.285 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.339 -7.060 -13.237 1.00 10.00 C ATOM 0 H THR A 60 -3.078 -4.704 -12.611 1.00 10.00 H new ATOM 0 HA THR A 60 -5.333 -5.701 -10.996 1.00 10.00 H new ATOM 0 HB THR A 60 -4.608 -5.999 -13.928 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.566 -4.700 -14.142 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.841 -7.037 -14.204 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.797 -8.000 -13.132 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.080 -6.978 -12.442 1.00 10.00 H new ATOM 900 N ASP A 61 -3.037 -7.656 -12.413 1.00 10.00 N ATOM 901 CA ASP A 61 -2.417 -8.978 -12.364 1.00 10.00 C ATOM 902 C ASP A 61 -1.259 -9.001 -11.350 1.00 10.00 C ATOM 903 O ASP A 61 -0.107 -9.254 -11.688 1.00 10.00 O ATOM 904 CB ASP A 61 -1.987 -9.347 -13.794 1.00 10.00 C ATOM 905 CG ASP A 61 -1.603 -10.814 -13.939 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.806 -11.568 -12.964 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.144 -11.156 -15.049 1.00 10.00 O ATOM 0 H ASP A 61 -2.714 -7.088 -13.196 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.121 -9.731 -12.011 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.801 -9.120 -14.482 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.141 -8.725 -14.085 1.00 10.00 H new ATOM 912 N CYS A 62 -1.569 -8.647 -10.101 1.00 10.00 N ATOM 913 CA CYS A 62 -0.601 -8.476 -9.023 1.00 10.00 C ATOM 914 C CYS A 62 -0.592 -9.695 -8.104 1.00 10.00 C ATOM 915 O CYS A 62 -1.640 -10.236 -7.756 1.00 10.00 O ATOM 916 CB CYS A 62 -0.882 -7.206 -8.215 1.00 10.00 C ATOM 917 SG CYS A 62 -1.881 -5.935 -9.008 1.00 10.00 S ATOM 0 H CYS A 62 -2.529 -8.467 -9.806 1.00 10.00 H new ATOM 0 HA CYS A 62 0.383 -8.375 -9.480 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.377 -7.497 -7.289 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.074 -6.762 -7.939 1.00 10.00 H new ATOM 922 N THR A 63 0.605 -10.091 -7.683 1.00 10.00 N ATOM 923 CA THR A 63 0.833 -11.274 -6.867 1.00 10.00 C ATOM 924 C THR A 63 1.266 -10.837 -5.469 1.00 10.00 C ATOM 925 O THR A 63 1.993 -9.856 -5.329 1.00 10.00 O ATOM 926 CB THR A 63 1.915 -12.131 -7.537 1.00 10.00 C ATOM 927 OG1 THR A 63 1.647 -12.257 -8.916 1.00 10.00 O ATOM 928 CG2 THR A 63 1.946 -13.544 -6.954 1.00 10.00 C ATOM 0 H THR A 63 1.462 -9.585 -7.906 1.00 10.00 H new ATOM 0 HA THR A 63 -0.078 -11.866 -6.777 1.00 10.00 H new ATOM 0 HB THR A 63 2.870 -11.635 -7.363 1.00 10.00 H new ATOM 0 HG1 THR A 63 2.343 -12.804 -9.336 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.723 -14.125 -7.450 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.157 -13.492 -5.886 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.979 -14.023 -7.110 1.00 10.00 H new ATOM 936 N ASP A 64 0.844 -11.560 -4.431 1.00 10.00 N ATOM 937 CA ASP A 64 1.219 -11.298 -3.052 1.00 10.00 C ATOM 938 C ASP A 64 2.720 -11.066 -2.846 1.00 10.00 C ATOM 939 O ASP A 64 3.093 -10.206 -2.058 1.00 10.00 O ATOM 940 CB ASP A 64 0.674 -12.439 -2.203 1.00 10.00 C ATOM 941 CG ASP A 64 -0.764 -12.153 -1.804 1.00 10.00 C ATOM 942 OD1 ASP A 64 -0.930 -11.246 -0.963 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.657 -12.807 -2.381 1.00 10.00 O ATOM 0 H ASP A 64 0.219 -12.360 -4.534 1.00 10.00 H new ATOM 0 HA ASP A 64 0.777 -10.352 -2.739 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.726 -13.374 -2.761 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.289 -12.565 -1.312 1.00 10.00 H new ATOM 948 N GLU A 65 3.593 -11.773 -3.565 1.00 10.00 N ATOM 949 CA GLU A 65 5.020 -11.463 -3.564 1.00 10.00 C ATOM 950 C GLU A 65 5.282 -9.972 -3.860 1.00 10.00 C ATOM 951 O GLU A 65 5.888 -9.296 -3.030 1.00 10.00 O ATOM 952 CB GLU A 65 5.793 -12.439 -4.464 1.00 10.00 C ATOM 953 CG GLU A 65 5.383 -12.397 -5.943 1.00 10.00 C ATOM 954 CD GLU A 65 6.017 -13.514 -6.765 1.00 10.00 C ATOM 955 OE1 GLU A 65 7.212 -13.788 -6.532 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.276 -14.086 -7.593 1.00 10.00 O ATOM 0 H GLU A 65 3.335 -12.564 -4.155 1.00 10.00 H new ATOM 0 HA GLU A 65 5.413 -11.617 -2.559 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.858 -12.219 -4.388 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.650 -13.452 -4.088 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.298 -12.469 -6.016 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.668 -11.434 -6.367 1.00 10.00 H new ATOM 963 N ASP A 66 4.733 -9.421 -4.951 1.00 10.00 N ATOM 964 CA ASP A 66 4.899 -8.017 -5.310 1.00 10.00 C ATOM 965 C ASP A 66 4.078 -7.116 -4.370 1.00 10.00 C ATOM 966 O ASP A 66 4.602 -6.133 -3.850 1.00 10.00 O ATOM 967 CB ASP A 66 4.539 -7.802 -6.797 1.00 10.00 C ATOM 968 CG ASP A 66 5.768 -7.734 -7.689 1.00 10.00 C ATOM 969 OD1 ASP A 66 6.436 -8.782 -7.796 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.011 -6.634 -8.235 1.00 10.00 O ATOM 0 H ASP A 66 4.158 -9.946 -5.610 1.00 10.00 H new ATOM 0 HA ASP A 66 5.944 -7.734 -5.185 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.895 -8.615 -7.133 1.00 10.00 H new ATOM 0 HB3 ASP A 66 3.968 -6.879 -6.900 1.00 10.00 H new ATOM 975 N TYR A 67 2.808 -7.442 -4.097 1.00 10.00 N ATOM 976 CA TYR A 67 1.982 -6.604 -3.226 1.00 10.00 C ATOM 977 C TYR A 67 2.604 -6.462 -1.831 1.00 10.00 C ATOM 978 O TYR A 67 2.771 -5.360 -1.305 1.00 10.00 O ATOM 979 CB TYR A 67 0.584 -7.215 -3.080 1.00 10.00 C ATOM 980 CG TYR A 67 -0.517 -6.725 -3.996 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.719 -5.343 -4.182 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.501 -7.633 -4.432 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.779 -4.891 -4.984 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.622 -7.166 -5.140 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.702 -5.814 -5.498 1.00 10.00 C ATOM 986 OH TYR A 67 -3.611 -5.416 -6.419 1.00 10.00 O ATOM 0 H TYR A 67 2.337 -8.270 -4.463 1.00 10.00 H new ATOM 0 HA TYR A 67 1.917 -5.618 -3.686 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.677 -8.292 -3.220 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.257 -7.054 -2.053 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.059 -4.632 -3.708 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.395 -8.687 -4.223 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.883 -3.839 -5.204 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.418 -7.846 -5.407 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.230 -5.511 -7.317 1.00 10.00 H new ATOM 996 N LYS A 68 2.941 -7.594 -1.219 1.00 10.00 N ATOM 997 CA LYS A 68 3.496 -7.636 0.120 1.00 10.00 C ATOM 998 C LYS A 68 4.891 -7.021 0.106 1.00 10.00 C ATOM 999 O LYS A 68 5.145 -6.173 0.946 1.00 10.00 O ATOM 1000 CB LYS A 68 3.470 -9.048 0.720 1.00 10.00 C ATOM 1001 CG LYS A 68 2.021 -9.563 0.823 1.00 10.00 C ATOM 1002 CD LYS A 68 1.892 -11.050 1.188 1.00 10.00 C ATOM 1003 CE LYS A 68 1.940 -11.349 2.691 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.293 -11.163 3.252 1.00 10.00 N ATOM 0 H LYS A 68 2.833 -8.513 -1.647 1.00 10.00 H new ATOM 0 HA LYS A 68 2.867 -7.040 0.781 1.00 10.00 H new ATOM 0 HB2 LYS A 68 4.059 -9.724 0.100 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.930 -9.038 1.708 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.492 -8.972 1.571 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.521 -9.392 -0.130 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.952 -11.428 0.786 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.693 -11.601 0.696 1.00 10.00 H new ATOM 0 HE2 LYS A 68 1.239 -10.697 3.212 1.00 10.00 H new ATOM 0 HE3 LYS A 68 1.613 -12.374 2.867 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.399 -11.748 4.105 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.003 -11.447 2.547 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.432 -10.162 3.499 1.00 10.00 H new ATOM 1018 N ALA A 69 5.755 -7.351 -0.865 1.00 10.00 N ATOM 1019 CA ALA A 69 7.014 -6.625 -1.063 1.00 10.00 C ATOM 1020 C ALA A 69 6.814 -5.098 -1.187 1.00 10.00 C ATOM 1021 O ALA A 69 7.666 -4.312 -0.782 1.00 10.00 O ATOM 1022 CB ALA A 69 7.772 -7.212 -2.248 1.00 10.00 C ATOM 0 H ALA A 69 5.604 -8.115 -1.524 1.00 10.00 H new ATOM 0 HA ALA A 69 7.621 -6.759 -0.168 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.706 -6.667 -2.389 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.990 -8.263 -2.056 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.163 -7.126 -3.148 1.00 10.00 H new ATOM 1028 N ALA A 70 5.678 -4.652 -1.730 1.00 10.00 N ATOM 1029 CA ALA A 70 5.382 -3.237 -1.947 1.00 10.00 C ATOM 1030 C ALA A 70 4.890 -2.551 -0.674 1.00 10.00 C ATOM 1031 O ALA A 70 5.233 -1.402 -0.436 1.00 10.00 O ATOM 1032 CB ALA A 70 4.396 -3.089 -3.104 1.00 10.00 C ATOM 0 H ALA A 70 4.929 -5.274 -2.035 1.00 10.00 H new ATOM 0 HA ALA A 70 6.307 -2.727 -2.218 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.178 -2.033 -3.263 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.832 -3.510 -4.010 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.473 -3.618 -2.866 1.00 10.00 H new ATOM 1038 N ILE A 71 4.111 -3.251 0.150 1.00 10.00 N ATOM 1039 CA ILE A 71 3.652 -2.797 1.470 1.00 10.00 C ATOM 1040 C ILE A 71 4.791 -2.850 2.507 1.00 10.00 C ATOM 1041 O ILE A 71 5.068 -1.892 3.234 1.00 10.00 O ATOM 1042 CB ILE A 71 2.423 -3.660 1.836 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.179 -3.048 1.169 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.246 -3.938 3.337 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.114 -4.099 0.862 1.00 10.00 C ATOM 0 H ILE A 71 3.768 -4.182 -0.088 1.00 10.00 H new ATOM 0 HA ILE A 71 3.354 -1.749 1.457 1.00 10.00 H new ATOM 0 HB ILE A 71 2.589 -4.662 1.440 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.756 -2.285 1.823 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.472 -2.549 0.245 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.357 -4.550 3.491 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.121 -4.467 3.715 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.134 -2.994 3.871 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.745 -3.620 0.392 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.526 -4.848 0.186 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.200 -4.580 1.788 1.00 10.00 H new ATOM 1057 N GLU A 72 5.491 -3.983 2.550 1.00 10.00 N ATOM 1058 CA GLU A 72 6.662 -4.199 3.398 1.00 10.00 C ATOM 1059 C GLU A 72 7.806 -3.225 3.110 1.00 10.00 C ATOM 1060 O GLU A 72 8.515 -2.851 4.043 1.00 10.00 O ATOM 1061 CB GLU A 72 7.070 -5.677 3.448 1.00 10.00 C ATOM 1062 CG GLU A 72 7.832 -6.121 2.203 1.00 10.00 C ATOM 1063 CD GLU A 72 9.346 -6.100 2.356 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.838 -6.984 3.089 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.971 -5.216 1.735 1.00 10.00 O ATOM 0 H GLU A 72 5.253 -4.796 1.982 1.00 10.00 H new ATOM 0 HA GLU A 72 6.367 -3.951 4.418 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.689 -5.849 4.328 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.177 -6.292 3.561 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.519 -7.132 1.940 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.553 -5.475 1.371 1.00 10.00 H new ATOM 1072 N PHE A 73 7.899 -2.723 1.869 1.00 10.00 N ATOM 1073 CA PHE A 73 8.825 -1.651 1.514 1.00 10.00 C ATOM 1074 C PHE A 73 8.805 -0.490 2.526 1.00 10.00 C ATOM 1075 O PHE A 73 9.843 0.095 2.825 1.00 10.00 O ATOM 1076 CB PHE A 73 8.491 -1.142 0.106 1.00 10.00 C ATOM 1077 CG PHE A 73 9.555 -0.242 -0.485 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.593 1.128 -0.163 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.574 -0.805 -1.273 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.676 1.921 -0.589 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.639 -0.007 -1.724 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.696 1.353 -1.375 1.00 10.00 C ATOM 0 H PHE A 73 7.332 -3.053 1.088 1.00 10.00 H new ATOM 0 HA PHE A 73 9.835 -2.061 1.535 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.343 -1.997 -0.554 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.547 -0.599 0.140 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.792 1.571 0.410 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.538 -1.853 -1.532 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.724 2.964 -0.313 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.414 -0.439 -2.339 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.522 1.962 -1.710 1.00 10.00 H new ATOM 1092 N MET A 74 7.615 -0.141 3.035 1.00 10.00 N ATOM 1093 CA MET A 74 7.444 0.973 3.957 1.00 10.00 C ATOM 1094 C MET A 74 7.654 0.548 5.420 1.00 10.00 C ATOM 1095 O MET A 74 8.626 0.949 6.056 1.00 10.00 O ATOM 1096 CB MET A 74 6.046 1.568 3.777 1.00 10.00 C ATOM 1097 CG MET A 74 5.773 2.211 2.409 1.00 10.00 C ATOM 1098 SD MET A 74 5.386 1.065 1.071 1.00 10.00 S ATOM 1099 CE MET A 74 3.831 1.715 0.416 1.00 10.00 C ATOM 0 H MET A 74 6.747 -0.629 2.814 1.00 10.00 H new ATOM 0 HA MET A 74 8.202 1.722 3.727 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.311 0.780 3.942 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.887 2.319 4.550 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.944 2.910 2.515 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.647 2.795 2.121 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.560 1.168 -0.487 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.045 1.597 1.162 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.950 2.772 0.178 1.00 10.00 H new ATOM 1109 N SER A 75 6.708 -0.221 5.977 1.00 10.00 N ATOM 1110 CA SER A 75 6.767 -0.702 7.363 1.00 10.00 C ATOM 1111 C SER A 75 5.856 -1.922 7.598 1.00 10.00 C ATOM 1112 O SER A 75 5.249 -2.062 8.656 1.00 10.00 O ATOM 1113 CB SER A 75 6.449 0.444 8.338 1.00 10.00 C ATOM 1114 OG SER A 75 6.959 0.138 9.624 1.00 10.00 O ATOM 0 H SER A 75 5.875 -0.528 5.475 1.00 10.00 H new ATOM 0 HA SER A 75 7.785 -1.043 7.554 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.887 1.374 7.975 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.371 0.599 8.392 1.00 10.00 H new ATOM 0 HG SER A 75 6.653 -0.753 9.894 1.00 10.00 H new ATOM 1120 N LYS A 76 5.760 -2.806 6.596 1.00 10.00 N ATOM 1121 CA LYS A 76 5.014 -4.073 6.620 1.00 10.00 C ATOM 1122 C LYS A 76 3.741 -4.051 7.464 1.00 10.00 C ATOM 1123 O LYS A 76 3.630 -4.747 8.472 1.00 10.00 O ATOM 1124 CB LYS A 76 5.941 -5.254 6.949 1.00 10.00 C ATOM 1125 CG LYS A 76 6.755 -5.104 8.241 1.00 10.00 C ATOM 1126 CD LYS A 76 7.622 -6.358 8.444 1.00 10.00 C ATOM 1127 CE LYS A 76 6.820 -7.540 9.012 1.00 10.00 C ATOM 1128 NZ LYS A 76 6.918 -7.603 10.485 1.00 10.00 N ATOM 0 H LYS A 76 6.224 -2.650 5.701 1.00 10.00 H new ATOM 0 HA LYS A 76 4.640 -4.218 5.607 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.338 -6.159 7.021 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.631 -5.396 6.118 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.386 -4.217 8.186 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.087 -4.968 9.092 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.065 -6.648 7.491 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.444 -6.122 9.120 1.00 10.00 H new ATOM 0 HE2 LYS A 76 5.774 -7.445 8.720 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.188 -8.471 8.582 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 6.366 -8.412 10.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 7.914 -7.718 10.762 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 6.544 -6.724 10.896 1.00 10.00 H new ATOM 1142 N ALA A 77 2.771 -3.258 7.006 1.00 10.00 N ATOM 1143 CA ALA A 77 1.505 -3.082 7.698 1.00 10.00 C ATOM 1144 C ALA A 77 0.419 -2.479 6.823 1.00 10.00 C ATOM 1145 O ALA A 77 -0.685 -3.001 6.814 1.00 10.00 O ATOM 1146 CB ALA A 77 1.714 -2.244 8.950 1.00 10.00 C ATOM 0 H ALA A 77 2.847 -2.721 6.142 1.00 10.00 H new ATOM 0 HA ALA A 77 1.152 -4.076 7.973 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.762 -2.115 9.465 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.419 -2.748 9.611 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.111 -1.268 8.672 1.00 10.00 H new ATOM 1152 N LYS A 78 0.721 -1.385 6.127 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.209 -0.701 5.233 1.00 10.00 C ATOM 1154 C LYS A 78 0.454 -0.357 3.882 1.00 10.00 C ATOM 1155 O LYS A 78 1.522 -0.922 3.594 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.887 0.457 6.011 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.086 1.760 6.157 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.821 3.015 5.657 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.069 2.943 4.148 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.178 2.953 3.355 1.00 10.00 N ATOM 1161 OXT LYS A 78 -0.088 0.468 3.120 1.00 10.00 O ATOM 0 H LYS A 78 1.638 -0.941 6.170 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.027 -1.352 4.923 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.829 0.692 5.516 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.133 0.096 7.010 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.172 1.898 7.207 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.851 1.660 5.609 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.772 3.116 6.181 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.232 3.902 5.890 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.630 2.036 3.921 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -1.691 3.786 3.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.128 3.705 2.639 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.988 3.127 3.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.297 2.034 2.884 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.516 3.675 -0.817 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.162 3.994 2.245 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.821 0.895 0.381 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.344 3.141 -3.979 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.958 6.703 -1.827 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.532 2.608 0.965 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.329 2.895 2.037 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.127 1.854 3.010 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.240 0.956 2.456 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.782 1.497 1.204 1.00 10.00 C HETATM 1186 CMA HEC A 90 -2.947 -0.427 2.955 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.717 1.812 4.408 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.228 1.534 4.487 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.629 0.176 3.930 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.308 -0.069 2.748 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.278 -0.583 4.684 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.323 2.258 -1.652 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.683 1.257 -0.964 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.820 0.578 -1.896 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.009 1.170 -3.134 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.961 2.247 -2.964 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.112 -0.567 -1.538 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.167 0.941 -4.369 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.321 -0.458 -4.984 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.602 4.757 -2.592 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.074 4.320 -3.762 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.370 5.314 -4.774 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.079 6.333 -4.155 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.238 5.953 -2.767 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.966 5.224 -6.232 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.620 7.633 -4.752 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.497 7.840 -6.264 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.745 5.175 0.114 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.175 6.308 -0.499 1.00 10.00 C HETATM 1210 C2D HEC A 90 -5.963 7.036 0.469 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.056 6.266 1.607 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.285 5.066 1.363 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.611 8.384 0.282 1.00 10.00 C HETATM 1214 CAD HEC A 90 -6.881 6.629 2.835 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.329 6.192 4.205 1.00 10.00 C HETATM 1216 CGD HEC A 90 -6.403 7.286 5.262 1.00 10.00 C HETATM 1217 O1D HEC A 90 -5.358 7.500 5.913 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.507 7.849 5.415 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.846 9.128 0.060 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.320 8.335 -0.544 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.136 8.665 1.195 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.880 5.166 -6.306 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.408 4.333 -6.678 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.319 6.108 -6.763 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.828 -0.232 -0.787 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.469 -1.398 -1.139 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.647 -0.893 -2.430 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.563 -0.373 3.974 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.862 -1.019 2.943 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.203 -0.896 2.311 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.887 5.322 4.553 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -5.291 5.879 4.088 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.446 7.815 -6.550 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.034 7.047 -6.785 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -4.924 8.805 -6.535 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.028 -1.211 -4.253 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.360 -0.617 -5.271 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.316 -0.540 -5.865 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.547 1.599 5.527 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.761 2.313 3.941 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.006 7.712 2.850 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.874 6.195 2.716 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.195 1.045 4.980 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.516 2.766 4.896 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.377 7.656 -2.149 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.055 2.903 -5.003 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.167 0.129 0.797 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.757 4.016 3.158 1.00 10.00 H new HETATM 0 H2D HEC A 90 -7.442 8.504 6.141 1.00 10.00 H new HETATM 0 H2A HEC A 90 -8.217 -0.596 4.405 1.00 10.00 H new