USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0497 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.092) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0329! USER MOD Single : A 13 GLN : amide:sc= -3.01! C(o=-3!,f=-4.1!) USER MOD Single : A 15 ASN : amide:sc= -19.6! C(o=-20!,f=-24!) USER MOD Single : A 19 SER OG : rot 23:sc= 1.13 USER MOD Single : A 20 GLN : amide:sc= -1.39! K(o=-1.4!,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0649 X(o=-0.065,f=-0.53) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0249) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -5.36! C(o=-5.4!,f=-17!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.019 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00638 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 36:sc= 0.102 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.86! C(o=-4.9!,f=-15!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -14.5! C(o=-15!,f=-13!) USER MOD Single : A 80 THR OG1 : rot 150:sc= -2.63 USER MOD Single : A 83 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-2.3!) USER MOD Single : A 85 SER OG : rot 98:sc= -4.11! USER MOD Single : A 86 THR OG1 : rot -69:sc= 0.916 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.345 K(o=-0.34,f=-0.87) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.447 (180deg=-2.16!) USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot -27:sc= 0.0487 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot -140:sc= 1.18 USER MOD Single : A1078 NAG O6 : rot 180:sc= 0.974 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.649 17.286 5.575 1.00 0.00 N ATOM 2 CA ALA A 1 -9.048 16.212 6.407 1.00 0.00 C ATOM 3 C ALA A 1 -7.582 16.509 6.705 1.00 0.00 C ATOM 4 O ALA A 1 -6.908 17.199 5.940 1.00 0.00 O ATOM 5 CB ALA A 1 -9.185 14.865 5.712 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.139 16.862 4.762 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.329 17.827 6.146 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.900 17.922 5.235 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.586 16.174 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.740 14.088 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.240 14.643 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.673 14.898 4.750 1.00 0.00 H new ATOM 13 N PRO A 2 -7.072 15.990 7.831 1.00 0.00 N ATOM 14 CA PRO A 2 -5.682 16.199 8.243 1.00 0.00 C ATOM 15 C PRO A 2 -4.703 15.335 7.456 1.00 0.00 C ATOM 16 O PRO A 2 -4.320 14.252 7.900 1.00 0.00 O ATOM 17 CB PRO A 2 -5.695 15.785 9.713 1.00 0.00 C ATOM 18 CG PRO A 2 -6.771 14.760 9.803 1.00 0.00 C ATOM 19 CD PRO A 2 -7.818 15.161 8.796 1.00 0.00 C ATOM 0 HA PRO A 2 -5.352 17.224 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.732 15.377 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.902 16.635 10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.381 13.766 9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.191 14.724 10.808 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.266 14.291 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.629 15.720 9.262 1.00 0.00 H new ATOM 27 N ASP A 3 -4.300 15.820 6.286 1.00 0.00 N ATOM 28 CA ASP A 3 -3.363 15.092 5.439 1.00 0.00 C ATOM 29 C ASP A 3 -2.698 16.027 4.433 1.00 0.00 C ATOM 30 O ASP A 3 -1.488 15.962 4.217 1.00 0.00 O ATOM 31 CB ASP A 3 -4.085 13.961 4.703 1.00 0.00 C ATOM 32 CG ASP A 3 -3.496 12.601 5.019 1.00 0.00 C ATOM 33 OD1 ASP A 3 -3.411 12.254 6.216 1.00 0.00 O ATOM 34 OD2 ASP A 3 -3.120 11.882 4.069 1.00 0.00 O ATOM 0 H ASP A 3 -4.608 16.714 5.903 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.589 14.666 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.141 13.969 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.031 14.137 3.629 1.00 0.00 H new ATOM 39 N VAL A 4 -3.499 16.897 3.825 1.00 0.00 N ATOM 40 CA VAL A 4 -2.993 17.851 2.845 1.00 0.00 C ATOM 41 C VAL A 4 -2.170 17.153 1.764 1.00 0.00 C ATOM 42 O VAL A 4 -1.794 15.990 1.909 1.00 0.00 O ATOM 43 CB VAL A 4 -2.141 18.947 3.520 1.00 0.00 C ATOM 44 CG1 VAL A 4 -2.621 19.189 4.943 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.662 18.583 3.507 1.00 0.00 C ATOM 0 H VAL A 4 -4.503 16.961 3.995 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.859 18.318 2.377 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.262 19.868 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.011 19.964 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.663 19.509 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.534 18.267 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.088 19.374 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.513 17.647 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.325 18.467 2.477 1.00 0.00 H new ATOM 55 N GLN A 5 -1.894 17.875 0.682 1.00 0.00 N ATOM 56 CA GLN A 5 -1.116 17.332 -0.425 1.00 0.00 C ATOM 57 C GLN A 5 -1.862 16.192 -1.110 1.00 0.00 C ATOM 58 O GLN A 5 -2.842 15.670 -0.578 1.00 0.00 O ATOM 59 CB GLN A 5 0.245 16.844 0.070 1.00 0.00 C ATOM 60 CG GLN A 5 1.414 17.606 -0.532 1.00 0.00 C ATOM 61 CD GLN A 5 1.953 18.673 0.399 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.103 19.832 0.011 1.00 0.00 O ATOM 63 NE2 GLN A 5 2.243 18.287 1.636 1.00 0.00 N ATOM 0 H GLN A 5 -2.199 18.839 0.549 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.964 18.129 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.282 16.934 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.351 15.785 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.212 16.906 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.098 18.070 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.103 17.316 1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.606 18.962 2.309 1.00 0.00 H new ATOM 72 N ASP A 6 -1.393 15.812 -2.293 1.00 0.00 N ATOM 73 CA ASP A 6 -2.016 14.734 -3.053 1.00 0.00 C ATOM 74 C ASP A 6 -1.348 13.396 -2.742 1.00 0.00 C ATOM 75 O ASP A 6 -1.577 12.398 -3.426 1.00 0.00 O ATOM 76 CB ASP A 6 -1.945 15.037 -4.556 1.00 0.00 C ATOM 77 CG ASP A 6 -1.140 14.011 -5.331 1.00 0.00 C ATOM 78 OD1 ASP A 6 0.033 13.781 -4.969 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.684 13.438 -6.298 1.00 0.00 O ATOM 0 H ASP A 6 -0.583 16.234 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.064 14.664 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.956 15.078 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.503 16.023 -4.702 1.00 0.00 H new ATOM 84 N CYS A 7 -0.525 13.387 -1.701 1.00 0.00 N ATOM 85 CA CYS A 7 0.180 12.180 -1.286 1.00 0.00 C ATOM 86 C CYS A 7 -0.210 11.797 0.137 1.00 0.00 C ATOM 87 O CYS A 7 0.609 11.854 1.055 1.00 0.00 O ATOM 88 CB CYS A 7 1.691 12.402 -1.372 1.00 0.00 C ATOM 89 SG CYS A 7 2.685 10.881 -1.220 1.00 0.00 S ATOM 0 H CYS A 7 -0.328 14.206 -1.126 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.100 11.366 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.922 12.879 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.989 13.097 -0.587 1.00 0.00 H new ATOM 94 N PRO A 8 -1.477 11.409 0.338 1.00 0.00 N ATOM 95 CA PRO A 8 -1.988 11.023 1.656 1.00 0.00 C ATOM 96 C PRO A 8 -1.477 9.661 2.108 1.00 0.00 C ATOM 97 O PRO A 8 -0.936 8.891 1.314 1.00 0.00 O ATOM 98 CB PRO A 8 -3.500 10.982 1.445 1.00 0.00 C ATOM 99 CG PRO A 8 -3.668 10.660 0.001 1.00 0.00 C ATOM 100 CD PRO A 8 -2.516 11.324 -0.706 1.00 0.00 C ATOM 0 HA PRO A 8 -1.666 11.714 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.968 10.227 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.961 11.937 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.658 9.582 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.622 11.031 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.179 10.739 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.790 12.310 -1.082 1.00 0.00 H new ATOM 108 N GLU A 9 -1.657 9.374 3.392 1.00 0.00 N ATOM 109 CA GLU A 9 -1.221 8.109 3.965 1.00 0.00 C ATOM 110 C GLU A 9 -1.706 6.937 3.122 1.00 0.00 C ATOM 111 O GLU A 9 -2.899 6.809 2.846 1.00 0.00 O ATOM 112 CB GLU A 9 -1.741 7.972 5.395 1.00 0.00 C ATOM 113 CG GLU A 9 -0.676 7.554 6.392 1.00 0.00 C ATOM 114 CD GLU A 9 -0.921 8.123 7.776 1.00 0.00 C ATOM 115 OE1 GLU A 9 -1.996 7.850 8.348 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.037 8.845 8.285 1.00 0.00 O ATOM 0 H GLU A 9 -2.104 10.004 4.058 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.131 8.098 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.168 8.924 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.548 7.240 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.644 6.466 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.300 7.882 6.035 1.00 0.00 H new ATOM 123 N CYS A 10 -0.773 6.087 2.715 1.00 0.00 N ATOM 124 CA CYS A 10 -1.106 4.926 1.901 1.00 0.00 C ATOM 125 C CYS A 10 -2.081 4.009 2.631 1.00 0.00 C ATOM 126 O CYS A 10 -1.782 3.496 3.710 1.00 0.00 O ATOM 127 CB CYS A 10 0.159 4.154 1.529 1.00 0.00 C ATOM 128 SG CYS A 10 -0.159 2.524 0.783 1.00 0.00 S ATOM 0 H CYS A 10 0.219 6.179 2.935 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.585 5.282 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.746 4.753 0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.767 4.020 2.424 1.00 0.00 H new ATOM 133 N THR A 11 -3.246 3.806 2.029 1.00 0.00 N ATOM 134 CA THR A 11 -4.272 2.950 2.603 1.00 0.00 C ATOM 135 C THR A 11 -5.425 2.803 1.638 1.00 0.00 C ATOM 136 O THR A 11 -5.330 3.189 0.478 1.00 0.00 O ATOM 137 CB THR A 11 -4.775 3.501 3.937 1.00 0.00 C ATOM 138 OG1 THR A 11 -5.871 2.738 4.410 1.00 0.00 O ATOM 139 CG2 THR A 11 -5.224 4.941 3.864 1.00 0.00 C ATOM 0 H THR A 11 -3.503 4.227 1.136 1.00 0.00 H new ATOM 0 HA THR A 11 -3.828 1.972 2.788 1.00 0.00 H new ATOM 0 HB THR A 11 -3.922 3.438 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.179 3.104 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.568 5.265 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.390 5.567 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.039 5.032 3.146 1.00 0.00 H new ATOM 147 N LEU A 12 -6.508 2.234 2.121 1.00 0.00 N ATOM 148 CA LEU A 12 -7.678 2.015 1.295 1.00 0.00 C ATOM 149 C LEU A 12 -8.442 3.294 1.030 1.00 0.00 C ATOM 150 O LEU A 12 -8.684 4.092 1.935 1.00 0.00 O ATOM 151 CB LEU A 12 -8.602 1.023 1.968 1.00 0.00 C ATOM 152 CG LEU A 12 -8.135 -0.419 1.919 1.00 0.00 C ATOM 153 CD1 LEU A 12 -6.839 -0.568 2.690 1.00 0.00 C ATOM 154 CD2 LEU A 12 -9.217 -1.318 2.484 1.00 0.00 C ATOM 0 H LEU A 12 -6.604 1.913 3.085 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.327 1.627 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.726 1.314 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.584 1.088 1.500 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.947 -0.712 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.509 -1.606 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.076 0.072 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.998 -0.277 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.883 -2.355 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.421 -1.037 3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.126 -1.210 1.892 1.00 0.00 H new ATOM 166 N GLN A 13 -8.850 3.463 -0.217 1.00 0.00 N ATOM 167 CA GLN A 13 -9.625 4.622 -0.603 1.00 0.00 C ATOM 168 C GLN A 13 -10.949 4.192 -1.183 1.00 0.00 C ATOM 169 O GLN A 13 -11.260 4.456 -2.344 1.00 0.00 O ATOM 170 CB GLN A 13 -8.882 5.471 -1.603 1.00 0.00 C ATOM 171 CG GLN A 13 -7.720 6.242 -1.004 1.00 0.00 C ATOM 172 CD GLN A 13 -7.165 7.293 -1.945 1.00 0.00 C ATOM 173 OE1 GLN A 13 -7.711 7.529 -3.023 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.072 7.930 -1.541 1.00 0.00 N ATOM 0 H GLN A 13 -8.656 2.810 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.797 5.221 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.509 4.832 -2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.579 6.176 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.046 6.723 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.926 5.544 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.653 7.702 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.652 8.647 -2.132 1.00 0.00 H new ATOM 183 N GLU A 14 -11.697 3.507 -0.347 1.00 0.00 N ATOM 184 CA GLU A 14 -13.008 2.970 -0.701 1.00 0.00 C ATOM 185 C GLU A 14 -13.400 3.357 -2.107 1.00 0.00 C ATOM 186 O GLU A 14 -13.429 4.532 -2.469 1.00 0.00 O ATOM 187 CB GLU A 14 -14.092 3.423 0.263 1.00 0.00 C ATOM 188 CG GLU A 14 -15.487 2.994 -0.168 1.00 0.00 C ATOM 189 CD GLU A 14 -16.512 4.102 -0.031 1.00 0.00 C ATOM 190 OE1 GLU A 14 -16.481 4.816 0.993 1.00 0.00 O ATOM 191 OE2 GLU A 14 -17.349 4.253 -0.947 1.00 0.00 O ATOM 0 H GLU A 14 -11.416 3.300 0.611 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.920 1.885 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.883 3.018 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.062 4.509 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.455 2.661 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.801 2.139 0.431 1.00 0.00 H new ATOM 198 N ASN A 15 -13.690 2.347 -2.887 1.00 0.00 N ATOM 199 CA ASN A 15 -14.068 2.528 -4.270 1.00 0.00 C ATOM 200 C ASN A 15 -15.307 3.394 -4.420 1.00 0.00 C ATOM 201 O ASN A 15 -16.431 2.918 -4.264 1.00 0.00 O ATOM 202 CB ASN A 15 -14.299 1.186 -4.939 1.00 0.00 C ATOM 203 CG ASN A 15 -13.588 1.099 -6.269 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.141 1.451 -7.309 1.00 0.00 O ATOM 205 ND2 ASN A 15 -12.351 0.632 -6.240 1.00 0.00 N ATOM 0 H ASN A 15 -13.671 1.374 -2.583 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.241 3.043 -4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.948 0.388 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.368 1.031 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.816 0.552 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.932 0.352 -5.353 1.00 0.00 H new ATOM 212 N PRO A 16 -15.123 4.674 -4.778 1.00 0.00 N ATOM 213 CA PRO A 16 -16.231 5.593 -5.005 1.00 0.00 C ATOM 214 C PRO A 16 -16.882 5.280 -6.342 1.00 0.00 C ATOM 215 O PRO A 16 -17.689 6.048 -6.867 1.00 0.00 O ATOM 216 CB PRO A 16 -15.567 6.981 -5.036 1.00 0.00 C ATOM 217 CG PRO A 16 -14.120 6.755 -4.718 1.00 0.00 C ATOM 218 CD PRO A 16 -13.833 5.316 -5.039 1.00 0.00 C ATOM 0 HA PRO A 16 -17.010 5.526 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.683 7.447 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.027 7.650 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.485 7.418 -5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.916 6.967 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.516 5.186 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.042 4.909 -4.410 1.00 0.00 H new ATOM 226 N PHE A 17 -16.488 4.132 -6.880 1.00 0.00 N ATOM 227 CA PHE A 17 -16.967 3.644 -8.160 1.00 0.00 C ATOM 228 C PHE A 17 -17.936 2.485 -7.965 1.00 0.00 C ATOM 229 O PHE A 17 -19.086 2.532 -8.402 1.00 0.00 O ATOM 230 CB PHE A 17 -15.769 3.170 -8.987 1.00 0.00 C ATOM 231 CG PHE A 17 -16.045 3.049 -10.454 1.00 0.00 C ATOM 232 CD1 PHE A 17 -17.146 3.666 -11.019 1.00 0.00 C ATOM 233 CD2 PHE A 17 -15.194 2.319 -11.268 1.00 0.00 C ATOM 234 CE1 PHE A 17 -17.397 3.560 -12.373 1.00 0.00 C ATOM 235 CE2 PHE A 17 -15.438 2.210 -12.624 1.00 0.00 C ATOM 236 CZ PHE A 17 -16.541 2.832 -13.177 1.00 0.00 C ATOM 0 H PHE A 17 -15.818 3.508 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 17 -17.490 4.450 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.943 3.865 -8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.441 2.201 -8.609 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.817 4.237 -10.395 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.332 1.830 -10.839 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.261 4.045 -12.803 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.768 1.640 -13.250 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.734 2.749 -14.236 1.00 0.00 H new ATOM 246 N PHE A 18 -17.443 1.440 -7.311 1.00 0.00 N ATOM 247 CA PHE A 18 -18.228 0.240 -7.052 1.00 0.00 C ATOM 248 C PHE A 18 -19.111 0.406 -5.822 1.00 0.00 C ATOM 249 O PHE A 18 -19.860 -0.500 -5.456 1.00 0.00 O ATOM 250 CB PHE A 18 -17.285 -0.947 -6.880 1.00 0.00 C ATOM 251 CG PHE A 18 -16.137 -0.909 -7.847 1.00 0.00 C ATOM 252 CD1 PHE A 18 -16.378 -0.769 -9.200 1.00 0.00 C ATOM 253 CD2 PHE A 18 -14.827 -0.999 -7.410 1.00 0.00 C ATOM 254 CE1 PHE A 18 -15.336 -0.721 -10.106 1.00 0.00 C ATOM 255 CE2 PHE A 18 -13.778 -0.953 -8.311 1.00 0.00 C ATOM 256 CZ PHE A 18 -14.034 -0.813 -9.661 1.00 0.00 C ATOM 0 H PHE A 18 -16.491 1.401 -6.947 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.888 0.063 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.898 -0.956 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.842 -1.874 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -17.395 -0.696 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.621 -1.106 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.541 -0.612 -11.161 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.760 -1.027 -7.959 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.217 -0.776 -10.366 1.00 0.00 H new ATOM 266 N SER A 19 -19.022 1.570 -5.191 1.00 0.00 N ATOM 267 CA SER A 19 -19.817 1.856 -4.008 1.00 0.00 C ATOM 268 C SER A 19 -21.298 1.660 -4.296 1.00 0.00 C ATOM 269 O SER A 19 -21.918 2.443 -5.016 1.00 0.00 O ATOM 270 CB SER A 19 -19.563 3.280 -3.518 1.00 0.00 C ATOM 271 OG SER A 19 -20.120 4.237 -4.404 1.00 0.00 O ATOM 0 H SER A 19 -18.407 2.330 -5.480 1.00 0.00 H new ATOM 0 HA SER A 19 -19.518 1.159 -3.225 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.993 3.407 -2.525 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.490 3.449 -3.425 1.00 0.00 H new ATOM 0 HG SER A 19 -20.840 3.822 -4.923 1.00 0.00 H new ATOM 277 N GLN A 20 -21.851 0.603 -3.725 1.00 0.00 N ATOM 278 CA GLN A 20 -23.261 0.274 -3.906 1.00 0.00 C ATOM 279 C GLN A 20 -24.054 0.559 -2.637 1.00 0.00 C ATOM 280 O GLN A 20 -23.517 1.084 -1.661 1.00 0.00 O ATOM 281 CB GLN A 20 -23.417 -1.199 -4.289 1.00 0.00 C ATOM 282 CG GLN A 20 -22.170 -1.799 -4.921 1.00 0.00 C ATOM 283 CD GLN A 20 -22.312 -3.282 -5.216 1.00 0.00 C ATOM 284 OE1 GLN A 20 -21.617 -3.821 -6.077 1.00 0.00 O ATOM 285 NE2 GLN A 20 -23.212 -3.950 -4.503 1.00 0.00 N ATOM 0 H GLN A 20 -21.343 -0.049 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 20 -23.652 0.899 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -23.674 -1.772 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -24.251 -1.299 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.947 -1.269 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -21.321 -1.646 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -23.767 -3.464 -3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -23.348 -4.949 -4.660 1.00 0.00 H new ATOM 294 N PRO A 21 -25.349 0.210 -2.633 1.00 0.00 N ATOM 295 CA PRO A 21 -26.228 0.420 -1.482 1.00 0.00 C ATOM 296 C PRO A 21 -25.945 -0.578 -0.367 1.00 0.00 C ATOM 297 O PRO A 21 -26.823 -1.339 0.040 1.00 0.00 O ATOM 298 CB PRO A 21 -27.640 0.200 -2.053 1.00 0.00 C ATOM 299 CG PRO A 21 -27.464 0.089 -3.534 1.00 0.00 C ATOM 300 CD PRO A 21 -26.068 -0.417 -3.744 1.00 0.00 C ATOM 0 HA PRO A 21 -26.091 1.405 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -28.092 -0.704 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -28.299 1.030 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -28.196 -0.594 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -27.606 1.055 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -26.017 -1.505 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -25.666 -0.117 -4.712 1.00 0.00 H new ATOM 308 N GLY A 22 -24.710 -0.570 0.119 1.00 0.00 N ATOM 309 CA GLY A 22 -24.325 -1.481 1.180 1.00 0.00 C ATOM 310 C GLY A 22 -22.945 -2.062 0.980 1.00 0.00 C ATOM 311 O GLY A 22 -22.472 -2.851 1.798 1.00 0.00 O ATOM 0 H GLY A 22 -23.968 0.051 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.358 -0.955 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.051 -2.292 1.238 1.00 0.00 H new ATOM 315 N ALA A 23 -22.295 -1.678 -0.108 1.00 0.00 N ATOM 316 CA ALA A 23 -20.964 -2.177 -0.405 1.00 0.00 C ATOM 317 C ALA A 23 -20.125 -1.122 -1.092 1.00 0.00 C ATOM 318 O ALA A 23 -20.307 -0.810 -2.269 1.00 0.00 O ATOM 319 CB ALA A 23 -21.057 -3.442 -1.234 1.00 0.00 C ATOM 0 H ALA A 23 -22.667 -1.024 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.465 -2.420 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -20.054 -3.809 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.608 -4.201 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.576 -3.227 -2.168 1.00 0.00 H new ATOM 325 N PRO A 24 -19.210 -0.543 -0.320 1.00 0.00 N ATOM 326 CA PRO A 24 -18.320 0.510 -0.741 1.00 0.00 C ATOM 327 C PRO A 24 -16.896 0.026 -0.961 1.00 0.00 C ATOM 328 O PRO A 24 -16.021 0.242 -0.128 1.00 0.00 O ATOM 329 CB PRO A 24 -18.405 1.426 0.474 1.00 0.00 C ATOM 330 CG PRO A 24 -18.609 0.503 1.648 1.00 0.00 C ATOM 331 CD PRO A 24 -18.985 -0.843 1.089 1.00 0.00 C ATOM 0 HA PRO A 24 -18.587 0.963 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.495 2.014 0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.231 2.131 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.700 0.432 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.393 0.881 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.191 -1.577 1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.878 -1.247 1.566 1.00 0.00 H new ATOM 339 N ILE A 25 -16.690 -0.640 -2.086 1.00 0.00 N ATOM 340 CA ILE A 25 -15.405 -1.179 -2.461 1.00 0.00 C ATOM 341 C ILE A 25 -14.225 -0.306 -2.052 1.00 0.00 C ATOM 342 O ILE A 25 -14.386 0.682 -1.339 1.00 0.00 O ATOM 343 CB ILE A 25 -15.404 -1.435 -3.963 1.00 0.00 C ATOM 344 CG1 ILE A 25 -16.411 -2.522 -4.229 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.037 -1.885 -4.418 1.00 0.00 C ATOM 346 CD1 ILE A 25 -16.237 -3.648 -3.245 1.00 0.00 C ATOM 0 H ILE A 25 -17.425 -0.821 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.267 -2.111 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 25 -15.656 -0.524 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -17.421 -2.118 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -16.292 -2.897 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.052 -2.064 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.304 -1.111 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.766 -2.805 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -16.972 -4.427 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.233 -4.062 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.380 -3.271 -2.232 1.00 0.00 H new ATOM 358 N LEU A 26 -13.021 -0.731 -2.445 1.00 0.00 N ATOM 359 CA LEU A 26 -11.808 -0.045 -2.047 1.00 0.00 C ATOM 360 C LEU A 26 -10.674 -0.171 -3.030 1.00 0.00 C ATOM 361 O LEU A 26 -10.845 -0.508 -4.200 1.00 0.00 O ATOM 362 CB LEU A 26 -11.374 -0.670 -0.750 1.00 0.00 C ATOM 363 CG LEU A 26 -12.467 -1.520 -0.152 1.00 0.00 C ATOM 364 CD1 LEU A 26 -11.899 -2.687 0.618 1.00 0.00 C ATOM 365 CD2 LEU A 26 -13.387 -0.687 0.720 1.00 0.00 C ATOM 0 H LEU A 26 -12.870 -1.547 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.032 1.019 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.487 -1.281 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.093 0.112 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.057 -1.925 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.714 -3.279 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.304 -3.309 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.268 -2.317 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.166 -1.324 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.812 -0.237 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.845 0.099 0.119 1.00 0.00 H new ATOM 377 N GLN A 27 -9.509 0.112 -2.489 1.00 0.00 N ATOM 378 CA GLN A 27 -8.251 0.055 -3.222 1.00 0.00 C ATOM 379 C GLN A 27 -7.200 0.883 -2.500 1.00 0.00 C ATOM 380 O GLN A 27 -7.244 2.113 -2.512 1.00 0.00 O ATOM 381 CB GLN A 27 -8.431 0.546 -4.656 1.00 0.00 C ATOM 382 CG GLN A 27 -7.143 0.561 -5.465 1.00 0.00 C ATOM 383 CD GLN A 27 -7.236 -0.274 -6.727 1.00 0.00 C ATOM 384 OE1 GLN A 27 -8.273 -0.303 -7.390 1.00 0.00 O ATOM 385 NE2 GLN A 27 -6.149 -0.957 -7.067 1.00 0.00 N ATOM 0 H GLN A 27 -9.401 0.393 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.919 -0.982 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.158 -0.091 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.848 1.553 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.898 1.589 -5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.326 0.189 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.311 -0.904 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.152 -1.535 -7.907 1.00 0.00 H new ATOM 394 N CYS A 28 -6.267 0.198 -1.856 1.00 0.00 N ATOM 395 CA CYS A 28 -5.214 0.862 -1.106 1.00 0.00 C ATOM 396 C CYS A 28 -4.554 1.944 -1.957 1.00 0.00 C ATOM 397 O CYS A 28 -3.742 1.643 -2.832 1.00 0.00 O ATOM 398 CB CYS A 28 -4.161 -0.146 -0.636 1.00 0.00 C ATOM 399 SG CYS A 28 -3.669 0.055 1.110 1.00 0.00 S ATOM 0 H CYS A 28 -6.219 -0.821 -1.838 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.666 1.326 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.549 -1.155 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.276 -0.052 -1.265 1.00 0.00 H new ATOM 404 N MET A 29 -4.906 3.199 -1.701 1.00 0.00 N ATOM 405 CA MET A 29 -4.343 4.317 -2.450 1.00 0.00 C ATOM 406 C MET A 29 -3.736 5.352 -1.510 1.00 0.00 C ATOM 407 O MET A 29 -4.299 5.659 -0.459 1.00 0.00 O ATOM 408 CB MET A 29 -5.418 4.970 -3.322 1.00 0.00 C ATOM 409 CG MET A 29 -5.074 4.987 -4.804 1.00 0.00 C ATOM 410 SD MET A 29 -6.149 3.916 -5.778 1.00 0.00 S ATOM 411 CE MET A 29 -7.337 5.103 -6.399 1.00 0.00 C ATOM 0 H MET A 29 -5.577 3.468 -0.982 1.00 0.00 H new ATOM 0 HA MET A 29 -3.552 3.928 -3.092 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.359 4.438 -3.182 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.577 5.994 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.148 6.008 -5.179 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.038 4.673 -4.936 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.071 4.591 -7.022 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.843 5.583 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.821 5.858 -6.992 1.00 0.00 H new ATOM 421 N GLY A 30 -2.582 5.888 -1.895 1.00 0.00 N ATOM 422 CA GLY A 30 -1.914 6.882 -1.076 1.00 0.00 C ATOM 423 C GLY A 30 -0.405 6.806 -1.192 1.00 0.00 C ATOM 424 O GLY A 30 0.133 6.636 -2.285 1.00 0.00 O ATOM 0 H GLY A 30 -2.097 5.651 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.249 7.876 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.203 6.744 -0.034 1.00 0.00 H new ATOM 428 N CYS A 31 0.281 6.932 -0.062 1.00 0.00 N ATOM 429 CA CYS A 31 1.737 6.876 -0.047 1.00 0.00 C ATOM 430 C CYS A 31 2.278 7.160 1.351 1.00 0.00 C ATOM 431 O CYS A 31 2.390 8.314 1.763 1.00 0.00 O ATOM 432 CB CYS A 31 2.312 7.879 -1.048 1.00 0.00 C ATOM 433 SG CYS A 31 1.310 9.388 -1.248 1.00 0.00 S ATOM 0 H CYS A 31 -0.147 7.073 0.853 1.00 0.00 H new ATOM 0 HA CYS A 31 2.044 5.870 -0.334 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.315 8.161 -0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.413 7.391 -2.018 1.00 0.00 H new ATOM 438 N CYS A 32 2.609 6.096 2.076 1.00 0.00 N ATOM 439 CA CYS A 32 3.135 6.225 3.430 1.00 0.00 C ATOM 440 C CYS A 32 4.108 7.397 3.524 1.00 0.00 C ATOM 441 O CYS A 32 5.133 7.422 2.843 1.00 0.00 O ATOM 442 CB CYS A 32 3.827 4.927 3.857 1.00 0.00 C ATOM 443 SG CYS A 32 2.749 3.457 3.811 1.00 0.00 S ATOM 0 H CYS A 32 2.522 5.134 1.748 1.00 0.00 H new ATOM 0 HA CYS A 32 2.300 6.417 4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.685 4.755 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.213 5.050 4.869 1.00 0.00 H new ATOM 448 N PHE A 33 3.774 8.367 4.370 1.00 0.00 N ATOM 449 CA PHE A 33 4.611 9.547 4.554 1.00 0.00 C ATOM 450 C PHE A 33 6.081 9.162 4.695 1.00 0.00 C ATOM 451 O PHE A 33 6.429 7.982 4.676 1.00 0.00 O ATOM 452 CB PHE A 33 4.155 10.329 5.788 1.00 0.00 C ATOM 453 CG PHE A 33 2.762 10.881 5.664 1.00 0.00 C ATOM 454 CD1 PHE A 33 2.125 10.917 4.434 1.00 0.00 C ATOM 455 CD2 PHE A 33 2.090 11.363 6.777 1.00 0.00 C ATOM 456 CE1 PHE A 33 0.844 11.424 4.315 1.00 0.00 C ATOM 457 CE2 PHE A 33 0.809 11.871 6.663 1.00 0.00 C ATOM 458 CZ PHE A 33 0.186 11.902 5.431 1.00 0.00 C ATOM 0 H PHE A 33 2.928 8.358 4.940 1.00 0.00 H new ATOM 0 HA PHE A 33 4.507 10.177 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.203 9.677 6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.849 11.151 5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.635 10.545 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.572 11.341 7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.359 11.446 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.296 12.243 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.814 12.299 5.340 1.00 0.00 H new ATOM 468 N SER A 34 6.939 10.167 4.840 1.00 0.00 N ATOM 469 CA SER A 34 8.371 9.935 4.988 1.00 0.00 C ATOM 470 C SER A 34 8.935 9.178 3.788 1.00 0.00 C ATOM 471 O SER A 34 8.845 7.952 3.719 1.00 0.00 O ATOM 472 CB SER A 34 8.643 9.148 6.270 1.00 0.00 C ATOM 473 OG SER A 34 9.625 9.789 7.064 1.00 0.00 O ATOM 0 H SER A 34 6.667 11.150 4.858 1.00 0.00 H new ATOM 0 HA SER A 34 8.866 10.905 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.720 9.046 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.975 8.141 6.018 1.00 0.00 H new ATOM 0 HG SER A 34 9.779 9.266 7.879 1.00 0.00 H new ATOM 479 N ARG A 35 9.521 9.913 2.846 1.00 0.00 N ATOM 480 CA ARG A 35 10.101 9.303 1.654 1.00 0.00 C ATOM 481 C ARG A 35 10.663 10.359 0.704 1.00 0.00 C ATOM 482 O ARG A 35 10.657 10.173 -0.513 1.00 0.00 O ATOM 483 CB ARG A 35 9.054 8.458 0.926 1.00 0.00 C ATOM 484 CG ARG A 35 9.607 7.711 -0.276 1.00 0.00 C ATOM 485 CD ARG A 35 8.953 6.348 -0.435 1.00 0.00 C ATOM 486 NE ARG A 35 9.425 5.394 0.567 1.00 0.00 N ATOM 487 CZ ARG A 35 8.778 4.278 0.886 1.00 0.00 C ATOM 488 NH1 ARG A 35 7.635 3.976 0.284 1.00 0.00 N ATOM 489 NH2 ARG A 35 9.272 3.465 1.811 1.00 0.00 N ATOM 0 H ARG A 35 9.606 10.929 2.885 1.00 0.00 H new ATOM 0 HA ARG A 35 10.922 8.663 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.628 7.739 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.240 9.105 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.445 8.301 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.684 7.588 -0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.871 6.453 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.162 5.960 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 35 10.301 5.597 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.251 4.601 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.140 3.119 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.149 3.697 2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.775 2.609 2.055 1.00 0.00 H new ATOM 503 N ALA A 36 11.148 11.463 1.262 1.00 0.00 N ATOM 504 CA ALA A 36 11.712 12.540 0.455 1.00 0.00 C ATOM 505 C ALA A 36 13.081 12.156 -0.096 1.00 0.00 C ATOM 506 O ALA A 36 13.402 10.974 -0.219 1.00 0.00 O ATOM 507 CB ALA A 36 11.813 13.818 1.274 1.00 0.00 C ATOM 0 H ALA A 36 11.162 11.636 2.267 1.00 0.00 H new ATOM 0 HA ALA A 36 11.044 12.713 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.235 14.612 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.820 14.112 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.456 13.647 2.137 1.00 0.00 H new ATOM 513 N TYR A 37 13.882 13.168 -0.423 1.00 0.00 N ATOM 514 CA TYR A 37 15.225 12.957 -0.961 1.00 0.00 C ATOM 515 C TYR A 37 15.772 11.589 -0.565 1.00 0.00 C ATOM 516 O TYR A 37 16.395 11.434 0.485 1.00 0.00 O ATOM 517 CB TYR A 37 16.162 14.060 -0.468 1.00 0.00 C ATOM 518 CG TYR A 37 17.589 13.907 -0.941 1.00 0.00 C ATOM 519 CD1 TYR A 37 17.926 12.961 -1.901 1.00 0.00 C ATOM 520 CD2 TYR A 37 18.600 14.710 -0.428 1.00 0.00 C ATOM 521 CE1 TYR A 37 19.231 12.819 -2.335 1.00 0.00 C ATOM 522 CE2 TYR A 37 19.907 14.574 -0.858 1.00 0.00 C ATOM 523 CZ TYR A 37 20.216 13.628 -1.812 1.00 0.00 C ATOM 524 OH TYR A 37 21.516 13.489 -2.242 1.00 0.00 O ATOM 0 H TYR A 37 13.622 14.149 -0.324 1.00 0.00 H new ATOM 0 HA TYR A 37 15.165 12.992 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.780 15.024 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.150 14.073 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 37 17.156 12.326 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.361 15.453 0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 37 19.477 12.077 -3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.682 15.205 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 37 22.086 14.135 -1.775 1.00 0.00 H new ATOM 534 N PRO A 38 15.540 10.577 -1.414 1.00 0.00 N ATOM 535 CA PRO A 38 16.002 9.205 -1.169 1.00 0.00 C ATOM 536 C PRO A 38 17.490 9.138 -0.847 1.00 0.00 C ATOM 537 O PRO A 38 18.113 10.147 -0.518 1.00 0.00 O ATOM 538 CB PRO A 38 15.710 8.493 -2.491 1.00 0.00 C ATOM 539 CG PRO A 38 14.587 9.265 -3.094 1.00 0.00 C ATOM 540 CD PRO A 38 14.805 10.695 -2.686 1.00 0.00 C ATOM 0 HA PRO A 38 15.507 8.758 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.584 8.491 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.432 7.452 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.582 9.165 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.625 8.899 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.379 11.243 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.861 11.225 -2.557 1.00 0.00 H new ATOM 548 N THR A 39 18.053 7.939 -0.944 1.00 0.00 N ATOM 549 CA THR A 39 19.468 7.733 -0.665 1.00 0.00 C ATOM 550 C THR A 39 20.239 7.463 -1.955 1.00 0.00 C ATOM 551 O THR A 39 19.676 6.971 -2.933 1.00 0.00 O ATOM 552 CB THR A 39 19.647 6.571 0.315 1.00 0.00 C ATOM 553 OG1 THR A 39 20.723 6.819 1.201 1.00 0.00 O ATOM 554 CG2 THR A 39 19.909 5.246 -0.367 1.00 0.00 C ATOM 0 H THR A 39 17.550 7.094 -1.214 1.00 0.00 H new ATOM 0 HA THR A 39 19.867 8.641 -0.213 1.00 0.00 H new ATOM 0 HB THR A 39 18.702 6.503 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.818 6.065 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 39 20.026 4.466 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 39 19.070 4.999 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.820 5.316 -0.961 1.00 0.00 H new ATOM 562 N PRO A 40 21.539 7.790 -1.974 1.00 0.00 N ATOM 563 CA PRO A 40 22.392 7.593 -3.147 1.00 0.00 C ATOM 564 C PRO A 40 22.263 6.194 -3.745 1.00 0.00 C ATOM 565 O PRO A 40 21.534 5.991 -4.716 1.00 0.00 O ATOM 566 CB PRO A 40 23.817 7.819 -2.614 1.00 0.00 C ATOM 567 CG PRO A 40 23.687 7.928 -1.128 1.00 0.00 C ATOM 568 CD PRO A 40 22.284 8.386 -0.861 1.00 0.00 C ATOM 0 HA PRO A 40 22.115 8.271 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 40 24.472 6.993 -2.889 1.00 0.00 H new ATOM 0 HB3 PRO A 40 24.252 8.725 -3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 40 23.880 6.968 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.411 8.637 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 40 21.920 8.036 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.206 9.473 -0.856 1.00 0.00 H new ATOM 576 N LEU A 41 22.984 5.236 -3.172 1.00 0.00 N ATOM 577 CA LEU A 41 22.954 3.866 -3.669 1.00 0.00 C ATOM 578 C LEU A 41 23.425 3.824 -5.119 1.00 0.00 C ATOM 579 O LEU A 41 22.640 3.581 -6.036 1.00 0.00 O ATOM 580 CB LEU A 41 21.545 3.279 -3.551 1.00 0.00 C ATOM 581 CG LEU A 41 21.137 2.831 -2.143 1.00 0.00 C ATOM 582 CD1 LEU A 41 20.477 1.462 -2.187 1.00 0.00 C ATOM 583 CD2 LEU A 41 22.340 2.813 -1.210 1.00 0.00 C ATOM 0 H LEU A 41 23.593 5.382 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 41 23.628 3.263 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 41 20.829 4.023 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 41 21.468 2.424 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 41 20.415 3.550 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 41 20.195 1.162 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 19.587 1.507 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 41 21.176 0.734 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 41 22.026 2.492 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 41 23.089 2.121 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 41 22.768 3.813 -1.149 1.00 0.00 H new ATOM 595 N ARG A 42 24.715 4.079 -5.312 1.00 0.00 N ATOM 596 CA ARG A 42 25.315 4.091 -6.643 1.00 0.00 C ATOM 597 C ARG A 42 24.798 2.943 -7.505 1.00 0.00 C ATOM 598 O ARG A 42 24.529 1.847 -7.011 1.00 0.00 O ATOM 599 CB ARG A 42 26.840 4.014 -6.535 1.00 0.00 C ATOM 600 CG ARG A 42 27.334 2.839 -5.707 1.00 0.00 C ATOM 601 CD ARG A 42 28.569 2.202 -6.326 1.00 0.00 C ATOM 602 NE ARG A 42 28.867 0.899 -5.737 1.00 0.00 N ATOM 603 CZ ARG A 42 30.074 0.341 -5.754 1.00 0.00 C ATOM 604 NH1 ARG A 42 31.094 0.976 -6.316 1.00 0.00 N ATOM 605 NH2 ARG A 42 30.263 -0.853 -5.206 1.00 0.00 N ATOM 0 H ARG A 42 25.370 4.282 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 42 25.031 5.027 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.264 3.945 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 42 27.212 4.939 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.565 3.176 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.543 2.094 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 42 28.419 2.089 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.424 2.864 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 42 28.107 0.389 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 42 30.954 1.895 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.019 0.546 -6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.482 -1.344 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.189 -1.280 -5.220 1.00 0.00 H new ATOM 619 N SER A 43 24.671 3.208 -8.802 1.00 0.00 N ATOM 620 CA SER A 43 24.198 2.209 -9.754 1.00 0.00 C ATOM 621 C SER A 43 22.812 1.695 -9.380 1.00 0.00 C ATOM 622 O SER A 43 22.485 1.554 -8.201 1.00 0.00 O ATOM 623 CB SER A 43 25.181 1.039 -9.829 1.00 0.00 C ATOM 624 OG SER A 43 26.513 1.478 -9.632 1.00 0.00 O ATOM 0 H SER A 43 24.891 4.112 -9.219 1.00 0.00 H new ATOM 0 HA SER A 43 24.132 2.689 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.925 0.296 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.096 0.550 -10.800 1.00 0.00 H new ATOM 0 HG SER A 43 27.121 0.711 -9.683 1.00 0.00 H new ATOM 630 N LYS A 44 22.005 1.406 -10.397 1.00 0.00 N ATOM 631 CA LYS A 44 20.656 0.896 -10.184 1.00 0.00 C ATOM 632 C LYS A 44 20.698 -0.595 -9.862 1.00 0.00 C ATOM 633 O LYS A 44 21.384 -1.364 -10.536 1.00 0.00 O ATOM 634 CB LYS A 44 19.794 1.138 -11.425 1.00 0.00 C ATOM 635 CG LYS A 44 20.535 0.914 -12.734 1.00 0.00 C ATOM 636 CD LYS A 44 19.705 0.097 -13.711 1.00 0.00 C ATOM 637 CE LYS A 44 19.681 0.738 -15.089 1.00 0.00 C ATOM 638 NZ LYS A 44 19.637 -0.279 -16.175 1.00 0.00 N ATOM 0 H LYS A 44 22.263 1.517 -11.378 1.00 0.00 H new ATOM 0 HA LYS A 44 20.215 1.427 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.928 0.477 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 44 19.416 2.160 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 20.784 1.876 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.477 0.401 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 44 20.114 -0.911 -13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.687 0.002 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.813 1.393 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.565 1.364 -15.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.622 0.199 -17.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.478 -0.888 -16.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.781 -0.860 -16.072 1.00 0.00 H new ATOM 652 N LYS A 45 19.971 -0.997 -8.827 1.00 0.00 N ATOM 653 CA LYS A 45 19.940 -2.396 -8.418 1.00 0.00 C ATOM 654 C LYS A 45 18.524 -2.834 -8.061 1.00 0.00 C ATOM 655 O LYS A 45 18.178 -2.946 -6.885 1.00 0.00 O ATOM 656 CB LYS A 45 20.873 -2.610 -7.226 1.00 0.00 C ATOM 657 CG LYS A 45 22.313 -2.208 -7.504 1.00 0.00 C ATOM 658 CD LYS A 45 23.214 -3.423 -7.653 1.00 0.00 C ATOM 659 CE LYS A 45 24.573 -3.047 -8.225 1.00 0.00 C ATOM 660 NZ LYS A 45 25.306 -2.095 -7.345 1.00 0.00 N ATOM 0 H LYS A 45 19.396 -0.376 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 45 20.280 -3.004 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.502 -2.037 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.846 -3.661 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.355 -1.609 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.679 -1.580 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.347 -3.899 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.735 -4.154 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.171 -3.948 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.440 -2.601 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.246 -1.905 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.773 -1.205 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.412 -2.509 -6.397 1.00 0.00 H new ATOM 674 N THR A 46 17.710 -3.082 -9.085 1.00 0.00 N ATOM 675 CA THR A 46 16.329 -3.508 -8.883 1.00 0.00 C ATOM 676 C THR A 46 15.765 -2.917 -7.595 1.00 0.00 C ATOM 677 O THR A 46 16.121 -1.805 -7.208 1.00 0.00 O ATOM 678 CB THR A 46 16.242 -5.037 -8.848 1.00 0.00 C ATOM 679 OG1 THR A 46 14.891 -5.462 -8.810 1.00 0.00 O ATOM 680 CG2 THR A 46 16.950 -5.653 -7.661 1.00 0.00 C ATOM 0 H THR A 46 17.984 -2.995 -10.064 1.00 0.00 H new ATOM 0 HA THR A 46 15.733 -3.142 -9.719 1.00 0.00 H new ATOM 0 HB THR A 46 16.737 -5.373 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 46 14.857 -6.441 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.848 -6.738 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.007 -5.386 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.506 -5.279 -6.738 1.00 0.00 H new ATOM 688 N MET A 47 14.891 -3.665 -6.930 1.00 0.00 N ATOM 689 CA MET A 47 14.293 -3.202 -5.683 1.00 0.00 C ATOM 690 C MET A 47 15.033 -3.783 -4.484 1.00 0.00 C ATOM 691 O MET A 47 16.011 -4.515 -4.641 1.00 0.00 O ATOM 692 CB MET A 47 12.810 -3.581 -5.616 1.00 0.00 C ATOM 693 CG MET A 47 12.451 -4.825 -6.414 1.00 0.00 C ATOM 694 SD MET A 47 10.669 -5.083 -6.522 1.00 0.00 S ATOM 695 CE MET A 47 10.554 -6.838 -6.186 1.00 0.00 C ATOM 0 H MET A 47 14.582 -4.589 -7.231 1.00 0.00 H new ATOM 0 HA MET A 47 14.376 -2.116 -5.655 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.533 -3.738 -4.574 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.215 -2.744 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.865 -4.740 -7.419 1.00 0.00 H new ATOM 0 HG3 MET A 47 12.914 -5.696 -5.951 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.509 -7.147 -6.218 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.119 -7.390 -6.937 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.964 -7.047 -5.198 1.00 0.00 H new ATOM 705 N LEU A 48 14.562 -3.453 -3.287 1.00 0.00 N ATOM 706 CA LEU A 48 15.182 -3.945 -2.063 1.00 0.00 C ATOM 707 C LEU A 48 16.527 -3.262 -1.822 1.00 0.00 C ATOM 708 O LEU A 48 16.678 -2.065 -2.068 1.00 0.00 O ATOM 709 CB LEU A 48 15.369 -5.463 -2.143 1.00 0.00 C ATOM 710 CG LEU A 48 15.264 -6.201 -0.807 1.00 0.00 C ATOM 711 CD1 LEU A 48 14.057 -5.712 -0.020 1.00 0.00 C ATOM 712 CD2 LEU A 48 15.180 -7.702 -1.035 1.00 0.00 C ATOM 0 H LEU A 48 13.754 -2.848 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 48 14.524 -3.710 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.622 -5.870 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.346 -5.671 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 48 16.161 -5.990 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.999 -6.248 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.157 -4.644 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.149 -5.893 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.106 -8.212 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.300 -7.930 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.074 -8.041 -1.558 1.00 0.00 H new ATOM 724 N VAL A 49 17.500 -4.029 -1.338 1.00 0.00 N ATOM 725 CA VAL A 49 18.830 -3.498 -1.064 1.00 0.00 C ATOM 726 C VAL A 49 18.814 -2.585 0.157 1.00 0.00 C ATOM 727 O VAL A 49 18.078 -1.599 0.197 1.00 0.00 O ATOM 728 CB VAL A 49 19.387 -2.717 -2.268 1.00 0.00 C ATOM 729 CG1 VAL A 49 20.906 -2.658 -2.206 1.00 0.00 C ATOM 730 CG2 VAL A 49 18.922 -3.342 -3.577 1.00 0.00 C ATOM 0 H VAL A 49 17.391 -5.021 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 49 19.477 -4.353 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 49 19.003 -1.698 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.284 -2.102 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 49 21.214 -2.159 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.310 -3.670 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 49 19.327 -2.775 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.273 -4.372 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.833 -3.327 -3.621 1.00 0.00 H new ATOM 740 N GLN A 50 19.630 -2.922 1.151 1.00 0.00 N ATOM 741 CA GLN A 50 19.709 -2.134 2.377 1.00 0.00 C ATOM 742 C GLN A 50 20.545 -2.851 3.436 1.00 0.00 C ATOM 743 O GLN A 50 20.498 -4.076 3.549 1.00 0.00 O ATOM 744 CB GLN A 50 18.303 -1.866 2.920 1.00 0.00 C ATOM 745 CG GLN A 50 18.098 -0.443 3.414 1.00 0.00 C ATOM 746 CD GLN A 50 17.678 -0.387 4.869 1.00 0.00 C ATOM 747 OE1 GLN A 50 17.836 -1.358 5.609 1.00 0.00 O ATOM 748 NE2 GLN A 50 17.139 0.753 5.286 1.00 0.00 N ATOM 0 H GLN A 50 20.246 -3.735 1.132 1.00 0.00 H new ATOM 0 HA GLN A 50 20.192 -1.186 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.575 -2.078 2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.101 -2.557 3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.023 0.120 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 50 17.340 0.045 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.028 1.532 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.837 0.850 6.255 1.00 0.00 H new ATOM 757 N LYS A 51 21.309 -2.081 4.210 1.00 0.00 N ATOM 758 CA LYS A 51 22.151 -2.649 5.259 1.00 0.00 C ATOM 759 C LYS A 51 21.445 -2.613 6.610 1.00 0.00 C ATOM 760 O LYS A 51 22.047 -2.898 7.646 1.00 0.00 O ATOM 761 CB LYS A 51 23.482 -1.897 5.346 1.00 0.00 C ATOM 762 CG LYS A 51 24.687 -2.811 5.502 1.00 0.00 C ATOM 763 CD LYS A 51 25.875 -2.072 6.096 1.00 0.00 C ATOM 764 CE LYS A 51 26.227 -2.604 7.476 1.00 0.00 C ATOM 765 NZ LYS A 51 27.343 -3.588 7.422 1.00 0.00 N ATOM 0 H LYS A 51 21.361 -1.065 4.130 1.00 0.00 H new ATOM 0 HA LYS A 51 22.347 -3.690 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.608 -1.293 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.447 -1.209 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 24.425 -3.654 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 51 24.962 -3.221 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.736 -2.173 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.647 -1.008 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.506 -1.774 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.349 -3.074 7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.553 -3.927 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.068 -4.392 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.188 -3.132 7.023 1.00 0.00 H new ATOM 779 N ASN A 52 20.165 -2.268 6.587 1.00 0.00 N ATOM 780 CA ASN A 52 19.362 -2.201 7.804 1.00 0.00 C ATOM 781 C ASN A 52 18.182 -3.160 7.708 1.00 0.00 C ATOM 782 O ASN A 52 17.034 -2.737 7.580 1.00 0.00 O ATOM 783 CB ASN A 52 18.860 -0.771 8.035 1.00 0.00 C ATOM 784 CG ASN A 52 18.645 -0.452 9.503 1.00 0.00 C ATOM 785 OD1 ASN A 52 19.604 -0.272 10.254 1.00 0.00 O ATOM 786 ND2 ASN A 52 17.378 -0.385 9.913 1.00 0.00 N ATOM 0 H ASN A 52 19.657 -2.029 5.736 1.00 0.00 H new ATOM 0 HA ASN A 52 19.987 -2.492 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.579 -0.067 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.923 -0.628 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.619 -0.542 9.250 1.00 0.00 H new ATOM 791 N VAL A 53 18.479 -4.455 7.753 1.00 0.00 N ATOM 792 CA VAL A 53 17.450 -5.482 7.653 1.00 0.00 C ATOM 793 C VAL A 53 17.172 -5.816 6.192 1.00 0.00 C ATOM 794 O VAL A 53 16.998 -4.922 5.364 1.00 0.00 O ATOM 795 CB VAL A 53 16.133 -5.049 8.323 1.00 0.00 C ATOM 796 CG1 VAL A 53 15.138 -6.199 8.336 1.00 0.00 C ATOM 797 CG2 VAL A 53 16.388 -4.542 9.734 1.00 0.00 C ATOM 0 H VAL A 53 19.426 -4.818 7.858 1.00 0.00 H new ATOM 0 HA VAL A 53 17.830 -6.361 8.174 1.00 0.00 H new ATOM 0 HB VAL A 53 15.705 -4.232 7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.213 -5.875 8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.928 -6.510 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.558 -7.037 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.444 -4.241 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.841 -5.335 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.062 -3.686 9.697 1.00 0.00 H new ATOM 807 N THR A 54 17.132 -7.105 5.881 1.00 0.00 N ATOM 808 CA THR A 54 16.876 -7.552 4.518 1.00 0.00 C ATOM 809 C THR A 54 15.878 -6.631 3.824 1.00 0.00 C ATOM 810 O THR A 54 15.940 -6.432 2.611 1.00 0.00 O ATOM 811 CB THR A 54 16.355 -8.989 4.521 1.00 0.00 C ATOM 812 OG1 THR A 54 15.518 -9.214 5.642 1.00 0.00 O ATOM 813 CG2 THR A 54 17.461 -10.022 4.555 1.00 0.00 C ATOM 0 H THR A 54 17.273 -7.859 6.553 1.00 0.00 H new ATOM 0 HA THR A 54 17.815 -7.518 3.965 1.00 0.00 H new ATOM 0 HB THR A 54 15.802 -9.103 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.192 -10.138 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 54 17.026 -11.021 4.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 18.097 -9.904 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 54 18.058 -9.886 5.457 1.00 0.00 H new ATOM 821 N SER A 55 14.961 -6.067 4.605 1.00 0.00 N ATOM 822 CA SER A 55 13.952 -5.162 4.067 1.00 0.00 C ATOM 823 C SER A 55 14.590 -3.848 3.618 1.00 0.00 C ATOM 824 O SER A 55 15.731 -3.828 3.156 1.00 0.00 O ATOM 825 CB SER A 55 12.869 -4.891 5.113 1.00 0.00 C ATOM 826 OG SER A 55 11.618 -4.631 4.499 1.00 0.00 O ATOM 0 H SER A 55 14.896 -6.221 5.611 1.00 0.00 H new ATOM 0 HA SER A 55 13.493 -5.638 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.779 -5.750 5.778 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.159 -4.040 5.729 1.00 0.00 H new ATOM 0 HG SER A 55 10.943 -4.463 5.190 1.00 0.00 H new ATOM 832 N GLU A 56 13.848 -2.753 3.757 1.00 0.00 N ATOM 833 CA GLU A 56 14.346 -1.440 3.364 1.00 0.00 C ATOM 834 C GLU A 56 13.541 -0.328 4.033 1.00 0.00 C ATOM 835 O GLU A 56 14.074 0.440 4.834 1.00 0.00 O ATOM 836 CB GLU A 56 14.292 -1.292 1.842 1.00 0.00 C ATOM 837 CG GLU A 56 14.423 0.143 1.358 1.00 0.00 C ATOM 838 CD GLU A 56 13.499 0.451 0.196 1.00 0.00 C ATOM 839 OE1 GLU A 56 13.502 -0.322 -0.785 1.00 0.00 O ATOM 840 OE2 GLU A 56 12.773 1.464 0.268 1.00 0.00 O ATOM 0 H GLU A 56 12.902 -2.749 4.138 1.00 0.00 H new ATOM 0 HA GLU A 56 15.382 -1.353 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.090 -1.888 1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.349 -1.703 1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.204 0.822 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.454 0.329 1.057 1.00 0.00 H new ATOM 847 N SER A 57 12.255 -0.247 3.700 1.00 0.00 N ATOM 848 CA SER A 57 11.383 0.772 4.273 1.00 0.00 C ATOM 849 C SER A 57 9.934 0.293 4.322 1.00 0.00 C ATOM 850 O SER A 57 9.649 -0.881 4.084 1.00 0.00 O ATOM 851 CB SER A 57 11.477 2.068 3.465 1.00 0.00 C ATOM 852 OG SER A 57 12.784 2.611 3.523 1.00 0.00 O ATOM 0 H SER A 57 11.796 -0.873 3.038 1.00 0.00 H new ATOM 0 HA SER A 57 11.716 0.962 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.206 1.874 2.427 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.761 2.794 3.851 1.00 0.00 H new ATOM 0 HG SER A 57 12.818 3.438 2.998 1.00 0.00 H new ATOM 858 N THR A 58 9.026 1.211 4.636 1.00 0.00 N ATOM 859 CA THR A 58 7.603 0.892 4.721 1.00 0.00 C ATOM 860 C THR A 58 7.103 0.253 3.429 1.00 0.00 C ATOM 861 O THR A 58 7.812 0.229 2.424 1.00 0.00 O ATOM 862 CB THR A 58 6.801 2.159 5.014 1.00 0.00 C ATOM 863 OG1 THR A 58 7.490 3.305 4.547 1.00 0.00 O ATOM 864 CG2 THR A 58 6.517 2.365 6.485 1.00 0.00 C ATOM 0 H THR A 58 9.250 2.186 4.837 1.00 0.00 H new ATOM 0 HA THR A 58 7.465 0.177 5.532 1.00 0.00 H new ATOM 0 HB THR A 58 5.852 2.025 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.961 4.107 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.944 3.283 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.944 1.520 6.867 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.458 2.441 7.030 1.00 0.00 H new ATOM 872 N CYS A 59 5.874 -0.257 3.461 1.00 0.00 N ATOM 873 CA CYS A 59 5.280 -0.887 2.288 1.00 0.00 C ATOM 874 C CYS A 59 3.870 -1.389 2.582 1.00 0.00 C ATOM 875 O CYS A 59 3.630 -2.048 3.593 1.00 0.00 O ATOM 876 CB CYS A 59 6.155 -2.039 1.796 1.00 0.00 C ATOM 877 SG CYS A 59 6.390 -3.367 3.020 1.00 0.00 S ATOM 0 H CYS A 59 5.273 -0.246 4.285 1.00 0.00 H new ATOM 0 HA CYS A 59 5.215 -0.132 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.708 -2.463 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.130 -1.645 1.511 1.00 0.00 H new ATOM 882 N CYS A 60 2.941 -1.062 1.687 1.00 0.00 N ATOM 883 CA CYS A 60 1.547 -1.464 1.836 1.00 0.00 C ATOM 884 C CYS A 60 1.262 -2.779 1.116 1.00 0.00 C ATOM 885 O CYS A 60 2.173 -3.431 0.607 1.00 0.00 O ATOM 886 CB CYS A 60 0.631 -0.365 1.297 1.00 0.00 C ATOM 887 SG CYS A 60 1.211 1.320 1.672 1.00 0.00 S ATOM 0 H CYS A 60 3.131 -0.516 0.847 1.00 0.00 H new ATOM 0 HA CYS A 60 1.352 -1.616 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.541 -0.477 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.367 -0.498 1.715 1.00 0.00 H new ATOM 892 N VAL A 61 -0.014 -3.153 1.092 1.00 0.00 N ATOM 893 CA VAL A 61 -0.467 -4.388 0.451 1.00 0.00 C ATOM 894 C VAL A 61 -1.622 -4.990 1.247 1.00 0.00 C ATOM 895 O VAL A 61 -1.421 -5.881 2.071 1.00 0.00 O ATOM 896 CB VAL A 61 0.670 -5.430 0.325 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.124 -6.850 0.403 1.00 0.00 C ATOM 898 CG2 VAL A 61 1.442 -5.229 -0.972 1.00 0.00 C ATOM 0 H VAL A 61 -0.765 -2.609 1.516 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.797 -4.131 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 61 1.352 -5.282 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.945 -7.561 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.377 -6.995 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.587 -7.011 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.237 -5.972 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.766 -5.342 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.877 -4.230 -0.985 1.00 0.00 H new ATOM 908 N ALA A 62 -2.828 -4.481 1.004 1.00 0.00 N ATOM 909 CA ALA A 62 -4.023 -4.947 1.705 1.00 0.00 C ATOM 910 C ALA A 62 -3.752 -6.207 2.524 1.00 0.00 C ATOM 911 O ALA A 62 -3.545 -7.290 1.976 1.00 0.00 O ATOM 912 CB ALA A 62 -5.153 -5.188 0.719 1.00 0.00 C ATOM 0 H ALA A 62 -3.004 -3.742 0.323 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.319 -4.164 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.036 -5.535 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.386 -4.259 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.849 -5.943 -0.005 1.00 0.00 H new ATOM 918 N LYS A 63 -3.773 -6.053 3.844 1.00 0.00 N ATOM 919 CA LYS A 63 -3.551 -7.155 4.760 1.00 0.00 C ATOM 920 C LYS A 63 -4.535 -8.269 4.461 1.00 0.00 C ATOM 921 O LYS A 63 -4.242 -9.453 4.626 1.00 0.00 O ATOM 922 CB LYS A 63 -3.747 -6.666 6.191 1.00 0.00 C ATOM 923 CG LYS A 63 -3.311 -7.668 7.235 1.00 0.00 C ATOM 924 CD LYS A 63 -1.804 -7.698 7.359 1.00 0.00 C ATOM 925 CE LYS A 63 -1.367 -7.652 8.815 1.00 0.00 C ATOM 926 NZ LYS A 63 -1.056 -9.009 9.344 1.00 0.00 N ATOM 0 H LYS A 63 -3.945 -5.159 4.304 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.535 -7.532 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.187 -5.741 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.800 -6.428 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.754 -7.412 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.678 -8.659 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.417 -8.602 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.376 -6.851 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.488 -7.015 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.155 -7.200 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.762 -8.935 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.902 -9.610 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.286 -9.431 8.786 1.00 0.00 H new ATOM 940 N SER A 64 -5.705 -7.854 4.010 1.00 0.00 N ATOM 941 CA SER A 64 -6.777 -8.772 3.660 1.00 0.00 C ATOM 942 C SER A 64 -7.704 -8.126 2.641 1.00 0.00 C ATOM 943 O SER A 64 -8.277 -7.070 2.894 1.00 0.00 O ATOM 944 CB SER A 64 -7.572 -9.177 4.901 1.00 0.00 C ATOM 945 OG SER A 64 -7.082 -10.389 5.448 1.00 0.00 O ATOM 0 H SER A 64 -5.940 -6.871 3.876 1.00 0.00 H new ATOM 0 HA SER A 64 -6.333 -9.668 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.512 -8.386 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.624 -9.291 4.641 1.00 0.00 H new ATOM 0 HG SER A 64 -6.108 -10.425 5.343 1.00 0.00 H new ATOM 951 N TYR A 65 -7.838 -8.761 1.487 1.00 0.00 N ATOM 952 CA TYR A 65 -8.686 -8.242 0.420 1.00 0.00 C ATOM 953 C TYR A 65 -10.020 -8.957 0.379 1.00 0.00 C ATOM 954 O TYR A 65 -10.164 -10.069 0.887 1.00 0.00 O ATOM 955 CB TYR A 65 -8.005 -8.424 -0.933 1.00 0.00 C ATOM 956 CG TYR A 65 -7.240 -9.723 -1.044 1.00 0.00 C ATOM 957 CD1 TYR A 65 -7.910 -10.938 -1.089 1.00 0.00 C ATOM 958 CD2 TYR A 65 -5.853 -9.735 -1.096 1.00 0.00 C ATOM 959 CE1 TYR A 65 -7.219 -12.131 -1.185 1.00 0.00 C ATOM 960 CE2 TYR A 65 -5.153 -10.923 -1.193 1.00 0.00 C ATOM 961 CZ TYR A 65 -5.840 -12.118 -1.236 1.00 0.00 C ATOM 962 OH TYR A 65 -5.147 -13.303 -1.330 1.00 0.00 O ATOM 0 H TYR A 65 -7.370 -9.639 1.263 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.850 -7.184 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.758 -8.385 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.322 -7.592 -1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.989 -10.951 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.312 -8.801 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.755 -13.068 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.074 -10.915 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.185 -13.118 -1.357 1.00 0.00 H new ATOM 972 N ASN A 66 -10.980 -8.327 -0.277 1.00 0.00 N ATOM 973 CA ASN A 66 -12.295 -8.917 -0.443 1.00 0.00 C ATOM 974 C ASN A 66 -12.701 -8.725 -1.878 1.00 0.00 C ATOM 975 O ASN A 66 -13.874 -8.653 -2.240 1.00 0.00 O ATOM 976 CB ASN A 66 -13.288 -8.291 0.519 1.00 0.00 C ATOM 977 CG ASN A 66 -14.728 -8.460 0.076 1.00 0.00 C ATOM 978 OD1 ASN A 66 -15.282 -7.605 -0.614 1.00 0.00 O ATOM 979 ND2 ASN A 66 -15.342 -9.567 0.475 1.00 0.00 N ATOM 0 H ASN A 66 -10.872 -7.407 -0.703 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.275 -9.982 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.162 -8.738 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.067 -7.228 0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.312 -9.736 0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.843 -10.249 1.046 1.00 0.00 H new ATOM 986 N ARG A 67 -11.657 -8.643 -2.667 1.00 0.00 N ATOM 987 CA ARG A 67 -11.737 -8.452 -4.104 1.00 0.00 C ATOM 988 C ARG A 67 -13.167 -8.546 -4.606 1.00 0.00 C ATOM 989 O ARG A 67 -13.862 -9.539 -4.390 1.00 0.00 O ATOM 990 CB ARG A 67 -10.854 -9.476 -4.804 1.00 0.00 C ATOM 991 CG ARG A 67 -9.897 -8.877 -5.823 1.00 0.00 C ATOM 992 CD ARG A 67 -9.380 -9.938 -6.778 1.00 0.00 C ATOM 993 NE ARG A 67 -8.899 -11.116 -6.060 1.00 0.00 N ATOM 994 CZ ARG A 67 -7.819 -11.809 -6.409 1.00 0.00 C ATOM 995 NH1 ARG A 67 -7.125 -11.472 -7.487 1.00 0.00 N ATOM 996 NH2 ARG A 67 -7.437 -12.848 -5.679 1.00 0.00 N ATOM 0 H ARG A 67 -10.699 -8.709 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.381 -7.448 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.277 -10.016 -4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.490 -10.207 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.404 -8.093 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.059 -8.408 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.175 -10.229 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.572 -9.523 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.423 -11.426 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.418 -10.677 -8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.298 -12.008 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.971 -13.114 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.609 -13.381 -5.945 1.00 0.00 H new ATOM 1010 N VAL A 68 -13.587 -7.493 -5.281 1.00 0.00 N ATOM 1011 CA VAL A 68 -14.929 -7.412 -5.836 1.00 0.00 C ATOM 1012 C VAL A 68 -14.872 -7.055 -7.308 1.00 0.00 C ATOM 1013 O VAL A 68 -15.593 -6.172 -7.769 1.00 0.00 O ATOM 1014 CB VAL A 68 -15.788 -6.358 -5.105 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -15.717 -6.540 -3.594 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -15.359 -4.948 -5.495 1.00 0.00 C ATOM 0 H VAL A 68 -13.011 -6.671 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.388 -8.392 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.824 -6.502 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.332 -5.783 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.084 -7.531 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.684 -6.436 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.977 -4.221 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.314 -4.798 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.479 -4.815 -6.570 1.00 0.00 H new ATOM 1026 N THR A 69 -14.002 -7.744 -8.035 1.00 0.00 N ATOM 1027 CA THR A 69 -13.831 -7.496 -9.458 1.00 0.00 C ATOM 1028 C THR A 69 -15.065 -6.834 -10.042 1.00 0.00 C ATOM 1029 O THR A 69 -16.165 -7.385 -10.002 1.00 0.00 O ATOM 1030 CB THR A 69 -13.531 -8.783 -10.215 1.00 0.00 C ATOM 1031 OG1 THR A 69 -12.288 -9.329 -9.807 1.00 0.00 O ATOM 1032 CG2 THR A 69 -13.485 -8.574 -11.716 1.00 0.00 C ATOM 0 H THR A 69 -13.403 -8.480 -7.660 1.00 0.00 H new ATOM 0 HA THR A 69 -12.980 -6.824 -9.570 1.00 0.00 H new ATOM 0 HB THR A 69 -14.345 -9.468 -9.980 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.115 -10.156 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.268 -9.522 -12.209 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.448 -8.198 -12.061 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.706 -7.852 -11.959 1.00 0.00 H new ATOM 1040 N VAL A 70 -14.869 -5.640 -10.567 1.00 0.00 N ATOM 1041 CA VAL A 70 -15.957 -4.873 -11.148 1.00 0.00 C ATOM 1042 C VAL A 70 -15.658 -4.455 -12.566 1.00 0.00 C ATOM 1043 O VAL A 70 -14.799 -5.019 -13.243 1.00 0.00 O ATOM 1044 CB VAL A 70 -16.255 -3.605 -10.334 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -17.741 -3.509 -10.020 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -15.426 -3.570 -9.060 1.00 0.00 C ATOM 0 H VAL A 70 -13.961 -5.177 -10.604 1.00 0.00 H new ATOM 0 HA VAL A 70 -16.824 -5.534 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.977 -2.740 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -17.933 -2.605 -9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.308 -3.473 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.048 -4.380 -9.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.655 -2.662 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.661 -4.441 -8.449 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.366 -3.581 -9.315 1.00 0.00 H new ATOM 1056 N MET A 71 -16.406 -3.462 -12.996 1.00 0.00 N ATOM 1057 CA MET A 71 -16.294 -2.918 -14.331 1.00 0.00 C ATOM 1058 C MET A 71 -14.964 -3.249 -14.987 1.00 0.00 C ATOM 1059 O MET A 71 -13.896 -2.979 -14.437 1.00 0.00 O ATOM 1060 CB MET A 71 -16.507 -1.412 -14.303 1.00 0.00 C ATOM 1061 CG MET A 71 -17.972 -1.040 -14.347 1.00 0.00 C ATOM 1062 SD MET A 71 -18.245 0.741 -14.291 1.00 0.00 S ATOM 1063 CE MET A 71 -20.033 0.816 -14.357 1.00 0.00 C ATOM 0 H MET A 71 -17.116 -3.006 -12.423 1.00 0.00 H new ATOM 0 HA MET A 71 -17.072 -3.386 -14.934 1.00 0.00 H new ATOM 0 HB2 MET A 71 -16.057 -1.000 -13.400 1.00 0.00 H new ATOM 0 HB3 MET A 71 -15.993 -0.959 -15.151 1.00 0.00 H new ATOM 0 HG2 MET A 71 -18.417 -1.442 -15.257 1.00 0.00 H new ATOM 0 HG3 MET A 71 -18.486 -1.508 -13.507 1.00 0.00 H new ATOM 0 HE1 MET A 71 -20.355 1.857 -14.331 1.00 0.00 H new ATOM 0 HE2 MET A 71 -20.383 0.351 -15.279 1.00 0.00 H new ATOM 0 HE3 MET A 71 -20.451 0.285 -13.502 1.00 0.00 H new ATOM 1073 N GLY A 72 -15.044 -3.831 -16.176 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.852 -4.189 -16.910 1.00 0.00 C ATOM 1075 C GLY A 72 -12.991 -5.194 -16.173 1.00 0.00 C ATOM 1076 O GLY A 72 -11.774 -5.224 -16.350 1.00 0.00 O ATOM 0 H GLY A 72 -15.920 -4.062 -16.645 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.137 -4.601 -17.878 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.267 -3.290 -17.106 1.00 0.00 H new ATOM 1080 N GLY A 73 -13.620 -6.019 -15.340 1.00 0.00 N ATOM 1081 CA GLY A 73 -12.880 -7.011 -14.589 1.00 0.00 C ATOM 1082 C GLY A 73 -11.917 -6.378 -13.610 1.00 0.00 C ATOM 1083 O GLY A 73 -10.901 -6.974 -13.253 1.00 0.00 O ATOM 0 H GLY A 73 -14.626 -6.016 -15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.577 -7.651 -14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.328 -7.650 -15.278 1.00 0.00 H new ATOM 1087 N PHE A 74 -12.239 -5.165 -13.172 1.00 0.00 N ATOM 1088 CA PHE A 74 -11.396 -4.452 -12.225 1.00 0.00 C ATOM 1089 C PHE A 74 -11.081 -5.338 -11.029 1.00 0.00 C ATOM 1090 O PHE A 74 -11.503 -6.493 -10.973 1.00 0.00 O ATOM 1091 CB PHE A 74 -12.083 -3.165 -11.762 1.00 0.00 C ATOM 1092 CG PHE A 74 -11.767 -1.971 -12.621 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -10.496 -1.791 -13.143 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -12.744 -1.030 -12.908 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -10.205 -0.695 -13.935 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -12.459 0.067 -13.700 1.00 0.00 C ATOM 1097 CZ PHE A 74 -11.188 0.234 -14.214 1.00 0.00 C ATOM 0 H PHE A 74 -13.076 -4.658 -13.458 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.462 -4.189 -12.722 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.162 -3.321 -11.754 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.784 -2.953 -10.735 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.724 -2.515 -12.929 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.739 -1.155 -12.508 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.210 -0.566 -14.335 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -13.229 0.792 -13.916 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.963 1.090 -14.833 1.00 0.00 H new ATOM 1107 N LYS A 75 -10.335 -4.798 -10.076 1.00 0.00 N ATOM 1108 CA LYS A 75 -9.968 -5.554 -8.887 1.00 0.00 C ATOM 1109 C LYS A 75 -9.566 -4.627 -7.745 1.00 0.00 C ATOM 1110 O LYS A 75 -8.517 -3.987 -7.790 1.00 0.00 O ATOM 1111 CB LYS A 75 -8.816 -6.506 -9.202 1.00 0.00 C ATOM 1112 CG LYS A 75 -9.192 -7.628 -10.154 1.00 0.00 C ATOM 1113 CD LYS A 75 -8.247 -8.811 -10.014 1.00 0.00 C ATOM 1114 CE LYS A 75 -7.039 -8.671 -10.925 1.00 0.00 C ATOM 1115 NZ LYS A 75 -7.345 -9.090 -12.319 1.00 0.00 N ATOM 0 H LYS A 75 -9.974 -3.845 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.840 -6.128 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.993 -5.936 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.450 -6.939 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.214 -7.950 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.169 -7.261 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.916 -8.892 -8.979 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.778 -9.732 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.701 -7.635 -10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.219 -9.275 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.496 -8.980 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.643 -10.086 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.110 -8.497 -12.700 1.00 0.00 H new ATOM 1129 N VAL A 76 -10.404 -4.572 -6.718 1.00 0.00 N ATOM 1130 CA VAL A 76 -10.138 -3.736 -5.551 1.00 0.00 C ATOM 1131 C VAL A 76 -9.770 -4.587 -4.386 1.00 0.00 C ATOM 1132 O VAL A 76 -9.760 -4.127 -3.243 1.00 0.00 O ATOM 1133 CB VAL A 76 -11.385 -2.927 -5.153 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -11.691 -1.884 -6.217 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -12.538 -3.914 -5.000 1.00 0.00 C ATOM 0 H VAL A 76 -11.277 -5.098 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.324 -3.061 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.225 -2.395 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.575 -1.316 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.842 -1.207 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -11.875 -2.380 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.443 -3.376 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.703 -4.430 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -12.293 -4.643 -4.227 1.00 0.00 H new ATOM 1145 N GLU A 77 -9.507 -5.836 -4.683 1.00 0.00 N ATOM 1146 CA GLU A 77 -9.188 -6.794 -3.637 1.00 0.00 C ATOM 1147 C GLU A 77 -9.888 -6.300 -2.396 1.00 0.00 C ATOM 1148 O GLU A 77 -9.330 -6.282 -1.302 1.00 0.00 O ATOM 1149 CB GLU A 77 -7.675 -6.869 -3.426 1.00 0.00 C ATOM 1150 CG GLU A 77 -7.118 -8.276 -3.500 1.00 0.00 C ATOM 1151 CD GLU A 77 -6.678 -8.657 -4.901 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -6.592 -7.755 -5.761 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -6.422 -9.855 -5.138 1.00 0.00 O ATOM 0 H GLU A 77 -9.506 -6.217 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.516 -7.801 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.181 -6.253 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.431 -6.442 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.270 -8.363 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.875 -8.981 -3.157 1.00 0.00 H new ATOM 1160 N ASN A 78 -11.109 -5.813 -2.637 1.00 0.00 N ATOM 1161 CA ASN A 78 -11.923 -5.185 -1.621 1.00 0.00 C ATOM 1162 C ASN A 78 -11.180 -5.227 -0.309 1.00 0.00 C ATOM 1163 O ASN A 78 -11.501 -5.984 0.605 1.00 0.00 O ATOM 1164 CB ASN A 78 -13.319 -5.772 -1.502 1.00 0.00 C ATOM 1165 CG ASN A 78 -14.163 -4.827 -0.687 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -14.380 -3.682 -1.081 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -14.639 -5.291 0.446 1.00 0.00 N ATOM 0 H ASN A 78 -11.554 -5.849 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.090 -4.150 -1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.756 -5.915 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.279 -6.752 -1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.433 -6.248 0.732 1.00 0.00 H new ATOM 1172 N HIS A 79 -10.134 -4.425 -0.279 1.00 0.00 N ATOM 1173 CA HIS A 79 -9.239 -4.347 0.852 1.00 0.00 C ATOM 1174 C HIS A 79 -9.951 -4.250 2.179 1.00 0.00 C ATOM 1175 O HIS A 79 -10.564 -3.246 2.523 1.00 0.00 O ATOM 1176 CB HIS A 79 -8.278 -3.184 0.673 1.00 0.00 C ATOM 1177 CG HIS A 79 -7.442 -3.374 -0.528 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -6.489 -2.496 -0.964 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -7.473 -4.383 -1.414 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -5.978 -2.986 -2.102 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -6.541 -4.139 -2.419 1.00 0.00 N ATOM 0 H HIS A 79 -9.882 -3.804 -1.048 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.684 -5.285 0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.839 -2.253 0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.642 -3.093 1.554 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.119 -5.247 -1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.207 -2.502 -2.684 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.336 -4.725 -3.228 1.00 0.00 H new ATOM 1189 N THR A 80 -9.819 -5.305 2.936 1.00 0.00 N ATOM 1190 CA THR A 80 -10.399 -5.362 4.263 1.00 0.00 C ATOM 1191 C THR A 80 -9.398 -4.809 5.254 1.00 0.00 C ATOM 1192 O THR A 80 -9.738 -4.453 6.383 1.00 0.00 O ATOM 1193 CB THR A 80 -10.767 -6.792 4.607 1.00 0.00 C ATOM 1194 OG1 THR A 80 -9.667 -7.476 5.183 1.00 0.00 O ATOM 1195 CG2 THR A 80 -11.203 -7.555 3.390 1.00 0.00 C ATOM 0 H THR A 80 -9.312 -6.146 2.660 1.00 0.00 H new ATOM 0 HA THR A 80 -11.309 -4.764 4.301 1.00 0.00 H new ATOM 0 HB THR A 80 -11.590 -6.738 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.995 -8.157 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.459 -8.576 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.075 -7.071 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.392 -7.573 2.662 1.00 0.00 H new ATOM 1203 N ALA A 81 -8.153 -4.735 4.801 1.00 0.00 N ATOM 1204 CA ALA A 81 -7.067 -4.214 5.621 1.00 0.00 C ATOM 1205 C ALA A 81 -5.807 -3.997 4.787 1.00 0.00 C ATOM 1206 O ALA A 81 -5.612 -4.656 3.769 1.00 0.00 O ATOM 1207 CB ALA A 81 -6.784 -5.159 6.778 1.00 0.00 C ATOM 0 H ALA A 81 -7.870 -5.030 3.867 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.374 -3.248 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.971 -4.759 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.679 -5.260 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.500 -6.136 6.388 1.00 0.00 H new ATOM 1213 N CYS A 82 -4.955 -3.073 5.232 1.00 0.00 N ATOM 1214 CA CYS A 82 -3.702 -2.770 4.539 1.00 0.00 C ATOM 1215 C CYS A 82 -2.558 -2.667 5.546 1.00 0.00 C ATOM 1216 O CYS A 82 -2.759 -2.217 6.674 1.00 0.00 O ATOM 1217 CB CYS A 82 -3.826 -1.469 3.743 1.00 0.00 C ATOM 1218 SG CYS A 82 -4.159 -1.720 1.966 1.00 0.00 S ATOM 0 H CYS A 82 -5.111 -2.519 6.074 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.488 -3.579 3.841 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -4.627 -0.867 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.904 -0.898 3.853 1.00 0.00 H new ATOM 1223 N HIS A 83 -1.362 -3.097 5.147 1.00 0.00 N ATOM 1224 CA HIS A 83 -0.208 -3.054 6.042 1.00 0.00 C ATOM 1225 C HIS A 83 0.962 -2.285 5.433 1.00 0.00 C ATOM 1226 O HIS A 83 1.572 -2.728 4.462 1.00 0.00 O ATOM 1227 CB HIS A 83 0.248 -4.467 6.393 1.00 0.00 C ATOM 1228 CG HIS A 83 1.112 -5.092 5.344 1.00 0.00 C ATOM 1229 ND1 HIS A 83 2.452 -5.361 5.534 1.00 0.00 N ATOM 1230 CD2 HIS A 83 0.822 -5.503 4.088 1.00 0.00 C ATOM 1231 CE1 HIS A 83 2.948 -5.911 4.439 1.00 0.00 C ATOM 1232 NE2 HIS A 83 1.979 -6.008 3.547 1.00 0.00 N ATOM 0 H HIS A 83 -1.168 -3.475 4.220 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.526 -2.532 6.945 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.796 -4.440 7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.629 -5.095 6.552 1.00 0.00 H new ATOM 0 HD1 HIS A 83 2.978 -5.166 6.386 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.140 -5.445 3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.971 -6.227 4.298 1.00 0.00 H new ATOM 1241 N CYS A 84 1.283 -1.144 6.034 1.00 0.00 N ATOM 1242 CA CYS A 84 2.398 -0.314 5.580 1.00 0.00 C ATOM 1243 C CYS A 84 3.641 -0.616 6.411 1.00 0.00 C ATOM 1244 O CYS A 84 3.816 -0.065 7.497 1.00 0.00 O ATOM 1245 CB CYS A 84 2.039 1.171 5.688 1.00 0.00 C ATOM 1246 SG CYS A 84 3.428 2.301 5.337 1.00 0.00 S ATOM 0 H CYS A 84 0.785 -0.770 6.841 1.00 0.00 H new ATOM 0 HA CYS A 84 2.604 -0.544 4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.225 1.388 4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.666 1.372 6.693 1.00 0.00 H new ATOM 1251 N SER A 85 4.487 -1.507 5.890 1.00 0.00 N ATOM 1252 CA SER A 85 5.719 -1.922 6.568 1.00 0.00 C ATOM 1253 C SER A 85 5.781 -3.443 6.671 1.00 0.00 C ATOM 1254 O SER A 85 5.031 -4.147 5.994 1.00 0.00 O ATOM 1255 CB SER A 85 5.819 -1.309 7.969 1.00 0.00 C ATOM 1256 OG SER A 85 6.078 0.082 7.903 1.00 0.00 O ATOM 0 H SER A 85 4.339 -1.961 4.989 1.00 0.00 H new ATOM 0 HA SER A 85 6.559 -1.563 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.890 -1.483 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.613 -1.803 8.529 1.00 0.00 H new ATOM 0 HG SER A 85 5.239 0.577 8.013 1.00 0.00 H new ATOM 1262 N THR A 86 6.678 -3.943 7.520 1.00 0.00 N ATOM 1263 CA THR A 86 6.841 -5.383 7.713 1.00 0.00 C ATOM 1264 C THR A 86 6.428 -6.150 6.462 1.00 0.00 C ATOM 1265 O THR A 86 5.428 -6.869 6.463 1.00 0.00 O ATOM 1266 CB THR A 86 6.021 -5.862 8.914 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.590 -7.199 8.727 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.794 -5.018 9.180 1.00 0.00 C ATOM 0 H THR A 86 7.304 -3.370 8.086 1.00 0.00 H new ATOM 0 HA THR A 86 7.896 -5.577 7.906 1.00 0.00 H new ATOM 0 HB THR A 86 6.691 -5.778 9.770 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.925 -7.231 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.260 -5.414 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.096 -3.990 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.140 -5.041 8.308 1.00 0.00 H new ATOM 1276 N CYS A 87 7.204 -5.993 5.396 1.00 0.00 N ATOM 1277 CA CYS A 87 6.918 -6.672 4.139 1.00 0.00 C ATOM 1278 C CYS A 87 7.200 -8.163 4.259 1.00 0.00 C ATOM 1279 O CYS A 87 8.335 -8.606 4.083 1.00 0.00 O ATOM 1280 CB CYS A 87 7.753 -6.071 3.008 1.00 0.00 C ATOM 1281 SG CYS A 87 6.812 -4.994 1.883 1.00 0.00 S ATOM 0 H CYS A 87 8.035 -5.402 5.377 1.00 0.00 H new ATOM 0 HA CYS A 87 5.861 -6.535 3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 87 8.573 -5.498 3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.199 -6.880 2.430 1.00 0.00 H new ATOM 1286 N TYR A 88 6.163 -8.934 4.567 1.00 0.00 N ATOM 1287 CA TYR A 88 6.309 -10.375 4.718 1.00 0.00 C ATOM 1288 C TYR A 88 7.569 -10.703 5.515 1.00 0.00 C ATOM 1289 O TYR A 88 8.555 -11.192 4.965 1.00 0.00 O ATOM 1290 CB TYR A 88 6.358 -11.052 3.346 1.00 0.00 C ATOM 1291 CG TYR A 88 5.117 -11.856 3.029 1.00 0.00 C ATOM 1292 CD1 TYR A 88 4.651 -12.821 3.911 1.00 0.00 C ATOM 1293 CD2 TYR A 88 4.410 -11.646 1.851 1.00 0.00 C ATOM 1294 CE1 TYR A 88 3.517 -13.558 3.629 1.00 0.00 C ATOM 1295 CE2 TYR A 88 3.274 -12.378 1.561 1.00 0.00 C ATOM 1296 CZ TYR A 88 2.831 -13.332 2.454 1.00 0.00 C ATOM 1297 OH TYR A 88 1.700 -14.064 2.170 1.00 0.00 O ATOM 0 H TYR A 88 5.216 -8.586 4.716 1.00 0.00 H new ATOM 0 HA TYR A 88 5.445 -10.754 5.263 1.00 0.00 H new ATOM 0 HB2 TYR A 88 6.495 -10.291 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.228 -11.708 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.184 -12.999 4.833 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.754 -10.899 1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.169 -14.307 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.736 -12.204 0.641 1.00 0.00 H new ATOM 0 HH TYR A 88 1.336 -13.781 1.305 1.00 0.00 H new ATOM 1307 N TYR A 89 7.528 -10.424 6.817 1.00 0.00 N ATOM 1308 CA TYR A 89 8.667 -10.684 7.692 1.00 0.00 C ATOM 1309 C TYR A 89 8.398 -11.880 8.596 1.00 0.00 C ATOM 1310 O TYR A 89 7.532 -11.828 9.471 1.00 0.00 O ATOM 1311 CB TYR A 89 8.981 -9.453 8.546 1.00 0.00 C ATOM 1312 CG TYR A 89 10.176 -9.639 9.455 1.00 0.00 C ATOM 1313 CD1 TYR A 89 11.054 -10.701 9.273 1.00 0.00 C ATOM 1314 CD2 TYR A 89 10.426 -8.753 10.497 1.00 0.00 C ATOM 1315 CE1 TYR A 89 12.145 -10.875 10.103 1.00 0.00 C ATOM 1316 CE2 TYR A 89 11.517 -8.922 11.331 1.00 0.00 C ATOM 1317 CZ TYR A 89 12.372 -9.984 11.129 1.00 0.00 C ATOM 1318 OH TYR A 89 13.457 -10.156 11.956 1.00 0.00 O ATOM 0 H TYR A 89 6.719 -10.018 7.287 1.00 0.00 H new ATOM 0 HA TYR A 89 9.527 -10.909 7.061 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.163 -8.602 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.108 -9.208 9.151 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.881 -11.402 8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.758 -7.920 10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.817 -11.706 9.948 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.698 -8.225 12.136 1.00 0.00 H new ATOM 0 HH TYR A 89 13.474 -9.442 12.627 1.00 0.00 H new ATOM 1328 N HIS A 90 9.146 -12.954 8.383 1.00 0.00 N ATOM 1329 CA HIS A 90 8.991 -14.164 9.180 1.00 0.00 C ATOM 1330 C HIS A 90 9.093 -13.854 10.670 1.00 0.00 C ATOM 1331 O HIS A 90 9.243 -12.699 11.067 1.00 0.00 O ATOM 1332 CB HIS A 90 10.050 -15.195 8.792 1.00 0.00 C ATOM 1333 CG HIS A 90 11.417 -14.612 8.603 1.00 0.00 C ATOM 1334 ND1 HIS A 90 11.971 -14.378 7.361 1.00 0.00 N ATOM 1335 CD2 HIS A 90 12.347 -14.219 9.507 1.00 0.00 C ATOM 1336 CE1 HIS A 90 13.181 -13.870 7.509 1.00 0.00 C ATOM 1337 NE2 HIS A 90 13.432 -13.763 8.800 1.00 0.00 N ATOM 0 H HIS A 90 9.867 -13.012 7.664 1.00 0.00 H new ATOM 0 HA HIS A 90 8.001 -14.574 8.979 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.096 -15.964 9.563 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.744 -15.688 7.869 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.252 -14.257 10.582 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.851 -13.590 6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 90 14.294 -13.400 9.207 1.00 0.00 H new ATOM 1346 N LYS A 91 9.014 -14.899 11.489 1.00 0.00 N ATOM 1347 CA LYS A 91 9.102 -14.748 12.936 1.00 0.00 C ATOM 1348 C LYS A 91 10.508 -15.075 13.430 1.00 0.00 C ATOM 1349 O LYS A 91 11.187 -15.938 12.872 1.00 0.00 O ATOM 1350 CB LYS A 91 8.083 -15.658 13.626 1.00 0.00 C ATOM 1351 CG LYS A 91 6.724 -15.009 13.829 1.00 0.00 C ATOM 1352 CD LYS A 91 5.954 -15.671 14.962 1.00 0.00 C ATOM 1353 CE LYS A 91 5.624 -14.679 16.066 1.00 0.00 C ATOM 1354 NZ LYS A 91 5.279 -13.337 15.521 1.00 0.00 N ATOM 0 H LYS A 91 8.889 -15.861 11.173 1.00 0.00 H new ATOM 0 HA LYS A 91 8.880 -13.710 13.184 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.958 -16.564 13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.479 -15.963 14.595 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.855 -13.949 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.146 -15.076 12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.032 -16.104 14.573 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.543 -16.491 15.373 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.789 -15.057 16.656 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.476 -14.589 16.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.581 -12.879 16.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.137 -12.751 15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.877 -13.442 14.567 1.00 0.00 H new ATOM 1368 N SER A 92 10.941 -14.383 14.478 1.00 0.00 N ATOM 1369 CA SER A 92 12.267 -14.604 15.041 1.00 0.00 C ATOM 1370 C SER A 92 12.231 -15.689 16.113 1.00 0.00 C ATOM 1371 O SER A 92 12.742 -15.437 17.225 1.00 0.00 O ATOM 1372 CB SER A 92 12.816 -13.306 15.633 1.00 0.00 C ATOM 1373 OG SER A 92 12.585 -12.209 14.764 1.00 0.00 O ATOM 1374 OXT SER A 92 11.690 -16.779 15.833 1.00 0.00 O ATOM 0 H SER A 92 10.394 -13.666 14.954 1.00 0.00 H new ATOM 0 HA SER A 92 12.924 -14.935 14.236 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.345 -13.115 16.597 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.886 -13.410 15.816 1.00 0.00 H new ATOM 0 HG SER A 92 12.944 -11.391 15.167 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 17.063 -0.072 11.296 1.00 0.00 C HETATM 1382 C2 NAG A1052 16.310 -1.247 11.914 1.00 0.00 C HETATM 1383 C3 NAG A1052 16.024 -0.986 13.383 1.00 0.00 C HETATM 1384 C4 NAG A1052 17.301 -0.604 14.108 1.00 0.00 C HETATM 1385 C5 NAG A1052 17.992 0.552 13.399 1.00 0.00 C HETATM 1386 C6 NAG A1052 19.321 0.915 14.030 1.00 0.00 C HETATM 1387 C7 NAG A1052 14.153 -0.456 11.176 1.00 0.00 C HETATM 1388 C8 NAG A1052 12.858 -0.722 10.425 1.00 0.00 C HETATM 1389 N2 NAG A1052 15.054 -1.435 11.211 1.00 0.00 N HETATM 1390 O3 NAG A1052 15.484 -2.162 13.969 1.00 0.00 O HETATM 1391 O4 NAG A1052 16.984 -0.217 15.437 1.00 0.00 O HETATM 1392 O5 NAG A1052 18.262 0.216 12.027 1.00 0.00 O HETATM 1393 O6 NAG A1052 19.978 1.940 13.298 1.00 0.00 O HETATM 1394 O7 NAG A1052 14.332 0.635 11.717 1.00 0.00 O HETATM 0 HO6 NAG A1052 19.699 1.902 12.359 1.00 0.00 H new HETATM 0 HO4 NAG A1052 17.786 -0.279 15.996 1.00 0.00 H new HETATM 0 HO3 NAG A1052 15.299 -2.000 14.918 1.00 0.00 H new HETATM 0 HN2 NAG A1052 14.861 -2.320 10.742 1.00 0.00 H new HETATM 0 H83 NAG A1052 13.082 -0.945 9.382 1.00 0.00 H new HETATM 0 H82 NAG A1052 12.344 -1.571 10.876 1.00 0.00 H new HETATM 0 H81 NAG A1052 12.219 0.159 10.478 1.00 0.00 H new HETATM 0 H62 NAG A1052 19.161 1.244 15.057 1.00 0.00 H new HETATM 0 H61 NAG A1052 19.958 0.032 14.074 1.00 0.00 H new HETATM 0 H5 NAG A1052 17.308 1.396 13.479 1.00 0.00 H new HETATM 0 H4 NAG A1052 17.973 -1.462 14.117 1.00 0.00 H new HETATM 0 H3 NAG A1052 15.311 -0.166 13.467 1.00 0.00 H new HETATM 0 H2 NAG A1052 16.927 -2.141 11.828 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -15.318 -4.403 1.355 1.00 0.00 C HETATM 1405 C2 NAG A1078 -16.771 -4.838 1.521 1.00 0.00 C HETATM 1406 C3 NAG A1078 -17.460 -4.005 2.588 1.00 0.00 C HETATM 1407 C4 NAG A1078 -16.647 -4.004 3.868 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.218 -3.573 3.591 1.00 0.00 C HETATM 1409 C6 NAG A1078 -14.342 -3.639 4.828 1.00 0.00 C HETATM 1410 C7 NAG A1078 -18.049 -5.686 -0.342 1.00 0.00 C HETATM 1411 C8 NAG A1078 -18.768 -5.402 -1.651 1.00 0.00 C HETATM 1412 N2 NAG A1078 -17.470 -4.657 0.263 1.00 0.00 N HETATM 1413 O3 NAG A1078 -18.744 -4.553 2.851 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.235 -3.104 4.796 1.00 0.00 O HETATM 1415 O5 NAG A1078 -14.619 -4.423 2.609 1.00 0.00 O HETATM 1416 O6 NAG A1078 -14.872 -2.838 5.875 1.00 0.00 O HETATM 1417 O7 NAG A1078 -18.027 -6.830 0.112 1.00 0.00 O HETATM 0 HO6 NAG A1078 -14.290 -2.900 6.661 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -16.530 -2.613 5.267 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.192 -4.020 3.540 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -17.517 -3.730 -0.160 1.00 0.00 H new HETATM 0 H83 NAG A1078 -19.564 -4.678 -1.479 1.00 0.00 H new HETATM 0 H82 NAG A1078 -18.060 -4.998 -2.375 1.00 0.00 H new HETATM 0 H81 NAG A1078 -19.196 -6.326 -2.039 1.00 0.00 H new HETATM 0 H62 NAG A1078 -14.259 -4.673 5.164 1.00 0.00 H new HETATM 0 H61 NAG A1078 -13.335 -3.302 4.582 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.279 -2.542 3.243 1.00 0.00 H new HETATM 0 H4 NAG A1078 -16.637 -5.014 4.279 1.00 0.00 H new HETATM 0 H3 NAG A1078 -17.554 -2.980 2.229 1.00 0.00 H new HETATM 0 H2 NAG A1078 -16.789 -5.886 1.820 1.00 0.00 H new