USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -110:sc= -5.47! (180deg=-4.25!) USER MOD Set 1.2: A 71 GLN : amide:sc= -4.19! K(o=-9.7!,f=-0.28) USER MOD Set 2.1: A 3 CYS SG : rot -99:sc= -12.1! USER MOD Set 2.2: A 16 CYS SG : rot 117:sc= -5.54! USER MOD Set 2.3: A 23 CYS SG : rot -87:sc= -12.6! USER MOD Set 2.4: A 44 CYS SG : rot -73:sc= -12.5! USER MOD Set 2.5: A 60 CYS SG : rot -45:sc= -21.2! USER MOD Set 2.6: A 62 THR OG1 : rot 54:sc= -1.52! USER MOD Set 2.7: A 65 CYS SG : rot 18:sc= -26.7! USER MOD Set 2.8: A 66 ASN : amide:sc= -11! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -42:sc= -0.0243! USER MOD Set 3.2: A 59 CYS SG : rot 136:sc= -8.8! USER MOD Set 4.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 4 TYR OH : rot -116:sc= -0.552 USER MOD Set 5.1: A 29 CYS SG : rot -143:sc= -3.87! USER MOD Set 5.2: A 33 CYS SG : rot -57:sc= 1.67! USER MOD Set 5.3: A 38 LYS NZ :NH3+ -126:sc= 1.13 (180deg=-0.176) USER MOD Set 6.1: A 5 THR OG1 : rot -27:sc= 1.24! USER MOD Set 6.2: A 8 THR OG1 : rot 77:sc= -1.28 USER MOD Set 6.3: A 9 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 1 ILE N :NH3+ -121:sc= -0.16 (180deg=-0.589) USER MOD Single : A 4 HIS : no HD1:sc= -13.6! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -77:sc= -2.65! USER MOD Single : A 12 SER OG : rot 180:sc= -0.855 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : A 21 ASN : amide:sc= -5.45! K(o=-5.4!,f=-2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 139:sc= -1.24 (180deg=-1.69!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 1.09 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.06 (180deg=-1.43) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= -0.0742 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= -1.51! (180deg=-2.31!) USER MOD Single : A 68 HIS : no HE2:sc= -37.4! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.5) USER MOD Single : B 1 HIS N :NH3+ 168:sc= -12.2! (180deg=-13.1!) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.15 USER MOD Single : B 6 SER OG : rot 140:sc= 0 USER MOD Single : B 7 SER OG : rot 60:sc= -7.56! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.985 6.481 12.444 1.00 0.00 N ATOM 2 CA ILE A 1 -6.551 6.622 11.114 1.00 0.00 C ATOM 3 C ILE A 1 -6.840 5.235 10.537 1.00 0.00 C ATOM 4 O ILE A 1 -6.785 4.237 11.254 1.00 0.00 O ATOM 5 CB ILE A 1 -5.641 7.478 10.230 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.274 6.815 10.048 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.520 8.899 10.782 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.514 7.436 8.874 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.590 6.973 13.133 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.928 5.473 12.692 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.032 6.897 12.461 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.502 7.153 11.161 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.096 7.554 9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.689 6.923 10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.404 5.746 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.868 9.486 10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.507 9.361 10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.099 8.864 11.787 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.546 6.946 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.090 7.305 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.364 8.500 9.060 1.00 0.00 H new ATOM 20 N VAL A 2 -7.143 5.216 9.247 1.00 0.00 N ATOM 21 CA VAL A 2 -7.442 3.968 8.567 1.00 0.00 C ATOM 22 C VAL A 2 -6.555 3.844 7.326 1.00 0.00 C ATOM 23 O VAL A 2 -6.089 4.847 6.788 1.00 0.00 O ATOM 24 CB VAL A 2 -8.936 3.893 8.243 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.356 2.455 7.931 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.773 4.471 9.385 1.00 0.00 C ATOM 0 H VAL A 2 -7.188 6.046 8.655 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.220 3.118 9.213 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.118 4.497 7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.422 2.428 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.793 2.090 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.153 1.821 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.831 4.406 9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.584 3.905 10.297 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.501 5.515 9.543 1.00 0.00 H new ATOM 36 N CYS A 3 -6.347 2.603 6.907 1.00 0.00 N ATOM 37 CA CYS A 3 -5.524 2.335 5.742 1.00 0.00 C ATOM 38 C CYS A 3 -6.116 1.133 5.002 1.00 0.00 C ATOM 39 O CYS A 3 -6.720 0.256 5.619 1.00 0.00 O ATOM 40 CB CYS A 3 -4.061 2.107 6.123 1.00 0.00 C ATOM 41 SG CYS A 3 -3.639 3.091 7.607 1.00 0.00 S ATOM 0 H CYS A 3 -6.735 1.773 7.355 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.528 3.204 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.888 1.048 6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.413 2.389 5.293 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.036 4.184 7.246 1.00 0.00 H new ATOM 47 N HIS A 4 -5.922 1.131 3.691 1.00 0.00 N ATOM 48 CA HIS A 4 -6.430 0.052 2.862 1.00 0.00 C ATOM 49 C HIS A 4 -5.429 -1.107 2.859 1.00 0.00 C ATOM 50 O HIS A 4 -4.220 -0.888 2.914 1.00 0.00 O ATOM 51 CB HIS A 4 -6.757 0.555 1.455 1.00 0.00 C ATOM 52 CG HIS A 4 -7.418 1.913 1.429 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.661 2.154 1.988 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.996 3.099 0.904 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.963 3.430 1.802 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.931 4.015 1.130 1.00 0.00 N ATOM 0 H HIS A 4 -5.420 1.859 3.183 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.366 -0.321 3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.837 0.598 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.411 -0.166 0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.060 3.265 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.869 3.921 2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.885 4.994 0.848 1.00 0.00 H new ATOM 65 N THR A 5 -5.971 -2.314 2.793 1.00 0.00 N ATOM 66 CA THR A 5 -5.141 -3.507 2.783 1.00 0.00 C ATOM 67 C THR A 5 -5.212 -4.194 1.418 1.00 0.00 C ATOM 68 O THR A 5 -6.268 -4.684 1.020 1.00 0.00 O ATOM 69 CB THR A 5 -5.588 -4.404 3.938 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.607 -5.223 3.369 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.310 -3.625 5.039 1.00 0.00 C ATOM 0 H THR A 5 -6.974 -2.492 2.746 1.00 0.00 H new ATOM 0 HA THR A 5 -4.090 -3.259 2.933 1.00 0.00 H new ATOM 0 HB THR A 5 -4.720 -4.910 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.026 -4.751 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.606 -4.309 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.643 -2.864 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.197 -3.146 4.624 1.00 0.00 H new ATOM 79 N THR A 6 -4.075 -4.206 0.736 1.00 0.00 N ATOM 80 CA THR A 6 -3.995 -4.825 -0.575 1.00 0.00 C ATOM 81 C THR A 6 -3.298 -6.183 -0.483 1.00 0.00 C ATOM 82 O THR A 6 -3.385 -6.993 -1.405 1.00 0.00 O ATOM 83 CB THR A 6 -3.296 -3.844 -1.519 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.891 -2.774 -0.668 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.263 -3.190 -2.507 1.00 0.00 C ATOM 0 H THR A 6 -3.202 -3.796 1.068 1.00 0.00 H new ATOM 0 HA THR A 6 -4.987 -5.032 -0.976 1.00 0.00 H new ATOM 0 HB THR A 6 -2.514 -4.366 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.665 -2.210 -0.460 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.715 -2.504 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.737 -3.960 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.027 -2.640 -1.958 1.00 0.00 H new ATOM 93 N ALA A 7 -2.620 -6.391 0.636 1.00 0.00 N ATOM 94 CA ALA A 7 -1.908 -7.636 0.859 1.00 0.00 C ATOM 95 C ALA A 7 -2.867 -8.668 1.458 1.00 0.00 C ATOM 96 O ALA A 7 -2.943 -9.800 0.982 1.00 0.00 O ATOM 97 CB ALA A 7 -0.697 -7.379 1.759 1.00 0.00 C ATOM 0 H ALA A 7 -2.549 -5.717 1.398 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.536 -8.037 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.163 -8.314 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.032 -6.662 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.033 -6.977 2.715 1.00 0.00 H new ATOM 103 N THR A 8 -3.578 -8.240 2.491 1.00 0.00 N ATOM 104 CA THR A 8 -4.529 -9.112 3.158 1.00 0.00 C ATOM 105 C THR A 8 -5.788 -9.280 2.305 1.00 0.00 C ATOM 106 O THR A 8 -5.780 -10.010 1.317 1.00 0.00 O ATOM 107 CB THR A 8 -4.807 -8.533 4.546 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.689 -7.126 4.366 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.708 -8.874 5.555 1.00 0.00 C ATOM 0 H THR A 8 -3.514 -7.300 2.882 1.00 0.00 H new ATOM 0 HA THR A 8 -4.125 -10.116 3.284 1.00 0.00 H new ATOM 0 HB THR A 8 -5.763 -8.909 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.497 -6.783 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.955 -8.439 6.523 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.628 -9.957 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.757 -8.470 5.208 1.00 0.00 H new ATOM 117 N SER A 9 -6.840 -8.589 2.719 1.00 0.00 N ATOM 118 CA SER A 9 -8.104 -8.652 2.006 1.00 0.00 C ATOM 119 C SER A 9 -7.938 -8.088 0.594 1.00 0.00 C ATOM 120 O SER A 9 -6.820 -7.986 0.090 1.00 0.00 O ATOM 121 CB SER A 9 -9.198 -7.890 2.757 1.00 0.00 C ATOM 122 OG SER A 9 -8.920 -7.791 4.152 1.00 0.00 O ATOM 0 H SER A 9 -6.843 -7.983 3.539 1.00 0.00 H new ATOM 0 HA SER A 9 -8.407 -9.697 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.297 -6.890 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.154 -8.393 2.613 1.00 0.00 H new ATOM 0 HG SER A 9 -9.641 -7.296 4.595 1.00 0.00 H new ATOM 128 N PRO A 10 -9.095 -7.726 -0.020 1.00 0.00 N ATOM 129 CA PRO A 10 -9.089 -7.174 -1.365 1.00 0.00 C ATOM 130 C PRO A 10 -8.597 -5.725 -1.360 1.00 0.00 C ATOM 131 O PRO A 10 -7.658 -5.382 -2.077 1.00 0.00 O ATOM 132 CB PRO A 10 -10.520 -7.315 -1.855 1.00 0.00 C ATOM 133 CG PRO A 10 -11.369 -7.509 -0.610 1.00 0.00 C ATOM 134 CD PRO A 10 -10.437 -7.831 0.545 1.00 0.00 C ATOM 0 HA PRO A 10 -8.402 -7.696 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.833 -6.429 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.619 -8.164 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.944 -6.608 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.085 -8.317 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.574 -7.133 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.624 -8.830 0.938 1.00 0.00 H new ATOM 142 N ILE A 11 -9.254 -4.914 -0.545 1.00 0.00 N ATOM 143 CA ILE A 11 -8.896 -3.510 -0.437 1.00 0.00 C ATOM 144 C ILE A 11 -10.014 -2.756 0.287 1.00 0.00 C ATOM 145 O ILE A 11 -11.057 -2.471 -0.300 1.00 0.00 O ATOM 146 CB ILE A 11 -8.562 -2.936 -1.816 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.064 -2.646 -1.940 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.412 -1.700 -2.116 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.722 -2.114 -3.334 1.00 0.00 C ATOM 0 H ILE A 11 -10.033 -5.202 0.047 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.992 -3.392 0.161 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.809 -3.686 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.767 -1.917 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.496 -3.556 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.155 -1.312 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.468 -1.971 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.220 -0.935 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.652 -1.916 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.998 -2.855 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.273 -1.191 -3.516 1.00 0.00 H new ATOM 161 N SER A 12 -9.759 -2.456 1.552 1.00 0.00 N ATOM 162 CA SER A 12 -10.730 -1.744 2.362 1.00 0.00 C ATOM 163 C SER A 12 -10.019 -0.979 3.482 1.00 0.00 C ATOM 164 O SER A 12 -9.084 -1.495 4.091 1.00 0.00 O ATOM 165 CB SER A 12 -11.768 -2.702 2.952 1.00 0.00 C ATOM 166 OG SER A 12 -11.234 -3.469 4.028 1.00 0.00 O ATOM 0 H SER A 12 -8.893 -2.694 2.035 1.00 0.00 H new ATOM 0 HA SER A 12 -11.253 -1.035 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.628 -2.133 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.127 -3.373 2.172 1.00 0.00 H new ATOM 0 HG SER A 12 -11.927 -4.067 4.379 1.00 0.00 H new ATOM 172 N ALA A 13 -10.490 0.236 3.716 1.00 0.00 N ATOM 173 CA ALA A 13 -9.909 1.077 4.749 1.00 0.00 C ATOM 174 C ALA A 13 -10.391 0.598 6.120 1.00 0.00 C ATOM 175 O ALA A 13 -11.504 0.911 6.536 1.00 0.00 O ATOM 176 CB ALA A 13 -10.273 2.539 4.483 1.00 0.00 C ATOM 0 H ALA A 13 -11.267 0.659 3.208 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.822 1.004 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.837 3.169 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.885 2.839 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.357 2.651 4.491 1.00 0.00 H new ATOM 182 N VAL A 14 -9.527 -0.157 6.785 1.00 0.00 N ATOM 183 CA VAL A 14 -9.850 -0.683 8.100 1.00 0.00 C ATOM 184 C VAL A 14 -8.729 -0.325 9.077 1.00 0.00 C ATOM 185 O VAL A 14 -7.559 -0.604 8.815 1.00 0.00 O ATOM 186 CB VAL A 14 -10.109 -2.188 8.011 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.701 -2.564 6.651 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.831 -2.982 8.292 1.00 0.00 C ATOM 0 H VAL A 14 -8.604 -0.416 6.437 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.767 -0.231 8.479 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.840 -2.448 8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.875 -3.639 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.645 -2.038 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.005 -2.282 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.043 -4.049 8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.068 -2.715 7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.470 -2.748 9.294 1.00 0.00 H new ATOM 198 N THR A 15 -9.125 0.286 10.185 1.00 0.00 N ATOM 199 CA THR A 15 -8.167 0.684 11.203 1.00 0.00 C ATOM 200 C THR A 15 -7.219 -0.473 11.525 1.00 0.00 C ATOM 201 O THR A 15 -7.634 -1.630 11.553 1.00 0.00 O ATOM 202 CB THR A 15 -8.950 1.184 12.418 1.00 0.00 C ATOM 203 OG1 THR A 15 -9.951 2.032 11.861 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.122 2.119 13.302 1.00 0.00 C ATOM 0 H THR A 15 -10.096 0.515 10.400 1.00 0.00 H new ATOM 0 HA THR A 15 -7.530 1.496 10.851 1.00 0.00 H new ATOM 0 HB THR A 15 -9.290 0.332 13.007 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.506 2.399 12.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.724 2.445 14.150 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.240 1.591 13.665 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.811 2.988 12.722 1.00 0.00 H new ATOM 212 N CYS A 16 -5.965 -0.119 11.760 1.00 0.00 N ATOM 213 CA CYS A 16 -4.953 -1.113 12.079 1.00 0.00 C ATOM 214 C CYS A 16 -4.788 -1.161 13.599 1.00 0.00 C ATOM 215 O CYS A 16 -5.439 -0.406 14.321 1.00 0.00 O ATOM 216 CB CYS A 16 -3.630 -0.823 11.370 1.00 0.00 C ATOM 217 SG CYS A 16 -3.209 -2.200 10.239 1.00 0.00 S ATOM 0 H CYS A 16 -5.626 0.843 11.736 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.275 -2.090 11.719 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.705 0.109 10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.836 -0.690 12.105 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.194 -1.766 9.014 1.00 0.00 H new ATOM 223 N PRO A 17 -3.892 -2.076 14.052 1.00 0.00 N ATOM 224 CA PRO A 17 -3.631 -2.231 15.473 1.00 0.00 C ATOM 225 C PRO A 17 -2.776 -1.079 16.002 1.00 0.00 C ATOM 226 O PRO A 17 -2.499 -0.122 15.281 1.00 0.00 O ATOM 227 CB PRO A 17 -2.953 -3.584 15.604 1.00 0.00 C ATOM 228 CG PRO A 17 -2.439 -3.929 14.218 1.00 0.00 C ATOM 229 CD PRO A 17 -3.102 -2.986 13.227 1.00 0.00 C ATOM 0 HA PRO A 17 -4.540 -2.197 16.074 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.136 -3.543 16.324 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.654 -4.339 15.960 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.355 -3.826 14.176 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.670 -4.965 13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.361 -2.445 12.639 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.732 -3.530 12.523 1.00 0.00 H new ATOM 237 N PRO A 18 -2.368 -1.211 17.294 1.00 0.00 N ATOM 238 CA PRO A 18 -1.549 -0.194 17.929 1.00 0.00 C ATOM 239 C PRO A 18 -0.104 -0.262 17.431 1.00 0.00 C ATOM 240 O PRO A 18 0.594 -1.243 17.677 1.00 0.00 O ATOM 241 CB PRO A 18 -1.676 -0.460 19.420 1.00 0.00 C ATOM 242 CG PRO A 18 -2.180 -1.888 19.547 1.00 0.00 C ATOM 243 CD PRO A 18 -2.676 -2.330 18.180 1.00 0.00 C ATOM 0 HA PRO A 18 -1.876 0.818 17.689 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.716 -0.339 19.922 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.369 0.242 19.884 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.383 -2.545 19.895 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.983 -1.946 20.282 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.177 -3.242 17.854 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.745 -2.540 18.196 1.00 0.00 H new ATOM 251 N GLY A 19 0.300 0.792 16.737 1.00 0.00 N ATOM 252 CA GLY A 19 1.648 0.864 16.202 1.00 0.00 C ATOM 253 C GLY A 19 1.700 1.761 14.962 1.00 0.00 C ATOM 254 O GLY A 19 2.462 2.726 14.923 1.00 0.00 O ATOM 0 H GLY A 19 -0.283 1.603 16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.325 1.251 16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.995 -0.137 15.946 1.00 0.00 H new ATOM 258 N GLU A 20 0.878 1.412 13.984 1.00 0.00 N ATOM 259 CA GLU A 20 0.821 2.174 12.748 1.00 0.00 C ATOM 260 C GLU A 20 0.261 3.573 13.013 1.00 0.00 C ATOM 261 O GLU A 20 -0.945 3.739 13.192 1.00 0.00 O ATOM 262 CB GLU A 20 -0.007 1.442 11.690 1.00 0.00 C ATOM 263 CG GLU A 20 0.579 0.061 11.392 1.00 0.00 C ATOM 264 CD GLU A 20 -0.075 -1.012 12.265 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.346 -2.123 11.782 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.298 -0.662 13.485 1.00 0.00 O ATOM 0 H GLU A 20 0.246 0.612 14.022 1.00 0.00 H new ATOM 0 HA GLU A 20 1.834 2.277 12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.035 1.337 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.038 2.033 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.431 -0.181 10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.655 0.073 11.568 1.00 0.00 H new ATOM 274 N ASN A 21 1.162 4.544 13.028 1.00 0.00 N ATOM 275 CA ASN A 21 0.773 5.922 13.268 1.00 0.00 C ATOM 276 C ASN A 21 0.308 6.552 11.954 1.00 0.00 C ATOM 277 O ASN A 21 0.033 7.750 11.899 1.00 0.00 O ATOM 278 CB ASN A 21 1.951 6.744 13.795 1.00 0.00 C ATOM 279 CG ASN A 21 2.698 5.987 14.896 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.849 6.257 15.201 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.982 5.026 15.474 1.00 0.00 N ATOM 0 H ASN A 21 2.161 4.403 12.878 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.027 5.922 14.009 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.635 6.972 12.977 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.590 7.696 14.184 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.391 4.464 16.220 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.024 4.852 15.171 1.00 0.00 H new ATOM 288 N LEU A 22 0.237 5.718 10.928 1.00 0.00 N ATOM 289 CA LEU A 22 -0.190 6.179 9.617 1.00 0.00 C ATOM 290 C LEU A 22 -0.327 4.978 8.678 1.00 0.00 C ATOM 291 O LEU A 22 -0.242 3.832 9.116 1.00 0.00 O ATOM 292 CB LEU A 22 0.757 7.261 9.095 1.00 0.00 C ATOM 293 CG LEU A 22 2.169 6.798 8.730 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.441 6.995 7.237 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.217 7.495 9.600 1.00 0.00 C ATOM 0 H LEU A 22 0.468 4.726 10.977 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.171 6.649 9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.306 7.716 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.836 8.042 9.851 1.00 0.00 H new ATOM 0 HG LEU A 22 2.241 5.730 8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.451 6.658 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.722 6.416 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.344 8.051 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.212 7.148 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.154 8.573 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.033 7.261 10.649 1.00 0.00 H new ATOM 307 N CYS A 23 -0.537 5.283 7.407 1.00 0.00 N ATOM 308 CA CYS A 23 -0.688 4.243 6.403 1.00 0.00 C ATOM 309 C CYS A 23 0.619 4.145 5.613 1.00 0.00 C ATOM 310 O CYS A 23 1.620 4.755 5.985 1.00 0.00 O ATOM 311 CB CYS A 23 -1.888 4.506 5.490 1.00 0.00 C ATOM 312 SG CYS A 23 -3.212 5.354 6.427 1.00 0.00 S ATOM 0 H CYS A 23 -0.606 6.235 7.048 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.889 3.290 6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.583 5.118 4.641 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.262 3.565 5.087 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.964 4.470 7.013 1.00 0.00 H new ATOM 318 N TYR A 24 0.567 3.371 4.539 1.00 0.00 N ATOM 319 CA TYR A 24 1.734 3.185 3.695 1.00 0.00 C ATOM 320 C TYR A 24 1.355 2.508 2.375 1.00 0.00 C ATOM 321 O TYR A 24 0.248 1.988 2.237 1.00 0.00 O ATOM 322 CB TYR A 24 2.676 2.264 4.474 1.00 0.00 C ATOM 323 CG TYR A 24 2.280 0.786 4.427 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.762 -0.026 3.420 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.443 0.266 5.392 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.391 -1.416 3.377 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.070 -1.126 5.348 1.00 0.00 C ATOM 328 CZ TYR A 24 1.563 -1.896 4.342 1.00 0.00 C ATOM 329 OH TYR A 24 1.213 -3.210 4.301 1.00 0.00 O ATOM 0 H TYR A 24 -0.265 2.866 4.234 1.00 0.00 H new ATOM 0 HA TYR A 24 2.191 4.145 3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.685 2.372 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.707 2.589 5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.417 0.382 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.067 0.901 6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.762 -2.063 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.415 -1.547 6.096 1.00 0.00 H new ATOM 0 HH TYR A 24 0.618 -3.414 5.053 1.00 0.00 H new ATOM 339 N ARG A 25 2.293 2.535 1.442 1.00 0.00 N ATOM 340 CA ARG A 25 2.071 1.932 0.139 1.00 0.00 C ATOM 341 C ARG A 25 3.303 1.134 -0.295 1.00 0.00 C ATOM 342 O ARG A 25 4.273 1.705 -0.792 1.00 0.00 O ATOM 343 CB ARG A 25 1.764 2.996 -0.917 1.00 0.00 C ATOM 344 CG ARG A 25 0.960 4.150 -0.314 1.00 0.00 C ATOM 345 CD ARG A 25 1.083 5.410 -1.171 1.00 0.00 C ATOM 346 NE ARG A 25 -0.258 5.864 -1.602 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.492 6.583 -2.721 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.527 6.938 -3.532 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.731 6.935 -3.008 1.00 0.00 N ATOM 0 H ARG A 25 3.210 2.965 1.562 1.00 0.00 H new ATOM 0 HA ARG A 25 1.213 1.265 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.695 3.377 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.204 2.548 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.088 3.863 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.315 4.357 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.578 6.198 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.705 5.207 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.056 5.618 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.482 6.663 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.342 7.481 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.495 6.664 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.925 7.478 -3.849 1.00 0.00 H new ATOM 363 N LYS A 26 3.225 -0.172 -0.089 1.00 0.00 N ATOM 364 CA LYS A 26 4.321 -1.055 -0.452 1.00 0.00 C ATOM 365 C LYS A 26 4.232 -1.386 -1.943 1.00 0.00 C ATOM 366 O LYS A 26 3.156 -1.310 -2.537 1.00 0.00 O ATOM 367 CB LYS A 26 4.338 -2.289 0.452 1.00 0.00 C ATOM 368 CG LYS A 26 5.625 -2.345 1.278 1.00 0.00 C ATOM 369 CD LYS A 26 5.564 -3.473 2.309 1.00 0.00 C ATOM 370 CE LYS A 26 5.268 -2.925 3.706 1.00 0.00 C ATOM 371 NZ LYS A 26 6.178 -3.530 4.705 1.00 0.00 N ATOM 0 H LYS A 26 2.419 -0.641 0.325 1.00 0.00 H new ATOM 0 HA LYS A 26 5.278 -0.559 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.475 -2.269 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.251 -3.190 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.479 -2.496 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.778 -1.392 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.793 -4.189 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.511 -4.012 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.384 -1.841 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.233 -3.136 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.963 -3.147 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.048 -4.562 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.163 -3.307 4.457 1.00 0.00 H new ATOM 385 N MET A 27 5.375 -1.745 -2.507 1.00 0.00 N ATOM 386 CA MET A 27 5.440 -2.088 -3.917 1.00 0.00 C ATOM 387 C MET A 27 6.544 -3.113 -4.182 1.00 0.00 C ATOM 388 O MET A 27 7.543 -3.155 -3.466 1.00 0.00 O ATOM 389 CB MET A 27 5.710 -0.824 -4.738 1.00 0.00 C ATOM 390 CG MET A 27 4.466 -0.407 -5.525 1.00 0.00 C ATOM 391 SD MET A 27 4.527 1.342 -5.879 1.00 0.00 S ATOM 392 CE MET A 27 2.830 1.622 -6.353 1.00 0.00 C ATOM 0 H MET A 27 6.265 -1.806 -2.012 1.00 0.00 H new ATOM 0 HA MET A 27 4.486 -2.526 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.015 -0.014 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.537 -1.002 -5.425 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.407 -0.973 -6.455 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.568 -0.640 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.484 2.564 -5.928 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.758 1.666 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.209 0.807 -5.981 1.00 0.00 H new ATOM 402 N TRP A 28 6.324 -3.918 -5.212 1.00 0.00 N ATOM 403 CA TRP A 28 7.289 -4.941 -5.581 1.00 0.00 C ATOM 404 C TRP A 28 6.910 -5.471 -6.965 1.00 0.00 C ATOM 405 O TRP A 28 7.190 -4.830 -7.976 1.00 0.00 O ATOM 406 CB TRP A 28 7.354 -6.040 -4.517 1.00 0.00 C ATOM 407 CG TRP A 28 6.034 -6.274 -3.782 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.876 -6.724 -4.287 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.779 -6.051 -2.379 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.898 -6.806 -3.316 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.465 -6.384 -2.118 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.630 -5.584 -1.363 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.887 -6.285 -0.848 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.037 -5.490 -0.099 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.716 -5.821 0.180 1.00 0.00 C ATOM 0 H TRP A 28 5.493 -3.883 -5.802 1.00 0.00 H new ATOM 0 HA TRP A 28 8.295 -4.524 -5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.664 -6.972 -4.990 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.122 -5.781 -3.789 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.727 -6.989 -5.323 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.937 -7.119 -3.452 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.661 -5.318 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.856 -6.552 -0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.649 -5.135 0.717 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.332 -5.721 1.184 1.00 0.00 H new ATOM 426 N CYS A 29 6.277 -6.635 -6.964 1.00 0.00 N ATOM 427 CA CYS A 29 5.857 -7.260 -8.208 1.00 0.00 C ATOM 428 C CYS A 29 5.083 -8.533 -7.869 1.00 0.00 C ATOM 429 O CYS A 29 5.630 -9.456 -7.266 1.00 0.00 O ATOM 430 CB CYS A 29 7.047 -7.543 -9.129 1.00 0.00 C ATOM 431 SG CYS A 29 6.931 -6.512 -10.636 1.00 0.00 S ATOM 0 H CYS A 29 6.045 -7.162 -6.122 1.00 0.00 H new ATOM 0 HA CYS A 29 5.209 -6.579 -8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.980 -7.333 -8.606 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.064 -8.598 -9.401 1.00 0.00 H new ATOM 0 HG CYS A 29 7.352 -7.192 -11.661 1.00 0.00 H new ATOM 437 N ASP A 30 3.819 -8.545 -8.271 1.00 0.00 N ATOM 438 CA ASP A 30 2.963 -9.690 -8.016 1.00 0.00 C ATOM 439 C ASP A 30 3.707 -10.972 -8.396 1.00 0.00 C ATOM 440 O ASP A 30 4.837 -10.918 -8.880 1.00 0.00 O ATOM 441 CB ASP A 30 1.685 -9.620 -8.855 1.00 0.00 C ATOM 442 CG ASP A 30 0.595 -10.617 -8.458 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.554 -11.099 -7.316 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.249 -10.902 -9.390 1.00 0.00 O ATOM 0 H ASP A 30 3.368 -7.779 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 30 2.701 -9.686 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.277 -8.612 -8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.945 -9.786 -9.900 1.00 0.00 H new ATOM 450 N ALA A 31 3.042 -12.095 -8.163 1.00 0.00 N ATOM 451 CA ALA A 31 3.627 -13.388 -8.475 1.00 0.00 C ATOM 452 C ALA A 31 3.643 -13.583 -9.993 1.00 0.00 C ATOM 453 O ALA A 31 4.110 -14.609 -10.485 1.00 0.00 O ATOM 454 CB ALA A 31 2.846 -14.488 -7.754 1.00 0.00 C ATOM 0 H ALA A 31 2.105 -12.136 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 31 4.658 -13.437 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.284 -15.458 -7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.890 -14.320 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.807 -14.471 -8.082 1.00 0.00 H new ATOM 460 N PHE A 32 3.129 -12.582 -10.692 1.00 0.00 N ATOM 461 CA PHE A 32 3.078 -12.630 -12.143 1.00 0.00 C ATOM 462 C PHE A 32 3.850 -11.462 -12.758 1.00 0.00 C ATOM 463 O PHE A 32 4.080 -11.433 -13.966 1.00 0.00 O ATOM 464 CB PHE A 32 1.605 -12.520 -12.543 1.00 0.00 C ATOM 465 CG PHE A 32 0.754 -13.722 -12.123 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.606 -14.022 -10.806 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.148 -14.488 -13.068 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.184 -15.137 -10.416 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.642 -15.602 -12.680 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.790 -15.903 -11.362 1.00 0.00 C ATOM 0 H PHE A 32 2.744 -11.732 -10.280 1.00 0.00 H new ATOM 0 HA PHE A 32 3.528 -13.556 -12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.185 -11.618 -12.099 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.541 -12.403 -13.625 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.089 -13.413 -10.056 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.267 -14.249 -14.114 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.303 -15.376 -9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.125 -16.210 -13.431 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.389 -16.751 -11.066 1.00 0.00 H new ATOM 480 N CYS A 33 4.229 -10.528 -11.899 1.00 0.00 N ATOM 481 CA CYS A 33 4.972 -9.360 -12.344 1.00 0.00 C ATOM 482 C CYS A 33 4.433 -8.941 -13.713 1.00 0.00 C ATOM 483 O CYS A 33 5.162 -8.959 -14.702 1.00 0.00 O ATOM 484 CB CYS A 33 6.478 -9.626 -12.379 1.00 0.00 C ATOM 485 SG CYS A 33 7.312 -8.359 -13.402 1.00 0.00 S ATOM 0 H CYS A 33 4.036 -10.555 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 33 4.831 -8.544 -11.635 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.882 -9.612 -11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.671 -10.619 -12.786 1.00 0.00 H new ATOM 0 HG CYS A 33 6.792 -8.353 -14.594 1.00 0.00 H new ATOM 491 N SER A 34 3.160 -8.574 -13.725 1.00 0.00 N ATOM 492 CA SER A 34 2.516 -8.151 -14.957 1.00 0.00 C ATOM 493 C SER A 34 3.226 -6.921 -15.524 1.00 0.00 C ATOM 494 O SER A 34 4.141 -6.386 -14.902 1.00 0.00 O ATOM 495 CB SER A 34 1.033 -7.850 -14.727 1.00 0.00 C ATOM 496 OG SER A 34 0.324 -8.991 -14.250 1.00 0.00 O ATOM 0 H SER A 34 2.558 -8.561 -12.902 1.00 0.00 H new ATOM 0 HA SER A 34 2.587 -8.966 -15.677 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.935 -7.036 -14.008 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.584 -7.508 -15.659 1.00 0.00 H new ATOM 0 HG SER A 34 -0.618 -8.758 -14.114 1.00 0.00 H new ATOM 502 N SER A 35 2.776 -6.508 -16.701 1.00 0.00 N ATOM 503 CA SER A 35 3.358 -5.349 -17.359 1.00 0.00 C ATOM 504 C SER A 35 2.931 -4.069 -16.639 1.00 0.00 C ATOM 505 O SER A 35 3.387 -2.979 -16.982 1.00 0.00 O ATOM 506 CB SER A 35 2.949 -5.291 -18.832 1.00 0.00 C ATOM 507 OG SER A 35 3.333 -6.467 -19.540 1.00 0.00 O ATOM 0 H SER A 35 2.017 -6.954 -17.215 1.00 0.00 H new ATOM 0 HA SER A 35 4.443 -5.438 -17.314 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.869 -5.161 -18.903 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.406 -4.420 -19.301 1.00 0.00 H new ATOM 0 HG SER A 35 3.053 -6.392 -20.476 1.00 0.00 H new ATOM 513 N ARG A 36 2.064 -4.244 -15.653 1.00 0.00 N ATOM 514 CA ARG A 36 1.571 -3.116 -14.881 1.00 0.00 C ATOM 515 C ARG A 36 2.638 -2.643 -13.890 1.00 0.00 C ATOM 516 O ARG A 36 2.381 -1.763 -13.070 1.00 0.00 O ATOM 517 CB ARG A 36 0.299 -3.485 -14.115 1.00 0.00 C ATOM 518 CG ARG A 36 -0.660 -4.284 -14.998 1.00 0.00 C ATOM 519 CD ARG A 36 -1.045 -3.492 -16.249 1.00 0.00 C ATOM 520 NE ARG A 36 0.049 -3.555 -17.244 1.00 0.00 N ATOM 521 CZ ARG A 36 0.232 -2.647 -18.226 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.604 -1.597 -18.353 1.00 0.00 N ATOM 523 NH2 ARG A 36 1.244 -2.802 -19.061 1.00 0.00 N ATOM 0 H ARG A 36 1.690 -5.150 -15.371 1.00 0.00 H new ATOM 0 HA ARG A 36 1.339 -2.313 -15.580 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.558 -4.069 -13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.194 -2.579 -13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.193 -5.225 -15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.557 -4.535 -14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.962 -3.897 -16.678 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.248 -2.454 -15.984 1.00 0.00 H new ATOM 0 HE ARG A 36 0.706 -4.333 -17.184 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.383 -1.484 -17.704 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.458 -0.916 -19.098 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.873 -3.599 -18.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.397 -2.125 -19.809 1.00 0.00 H new ATOM 537 N GLY A 37 3.810 -3.251 -13.999 1.00 0.00 N ATOM 538 CA GLY A 37 4.916 -2.904 -13.123 1.00 0.00 C ATOM 539 C GLY A 37 4.863 -3.715 -11.826 1.00 0.00 C ATOM 540 O GLY A 37 4.828 -4.944 -11.860 1.00 0.00 O ATOM 0 H GLY A 37 4.018 -3.981 -14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.861 -3.089 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.882 -1.839 -12.892 1.00 0.00 H new ATOM 544 N LYS A 38 4.856 -2.994 -10.715 1.00 0.00 N ATOM 545 CA LYS A 38 4.809 -3.632 -9.410 1.00 0.00 C ATOM 546 C LYS A 38 3.361 -3.656 -8.912 1.00 0.00 C ATOM 547 O LYS A 38 2.437 -3.361 -9.667 1.00 0.00 O ATOM 548 CB LYS A 38 5.779 -2.949 -8.444 1.00 0.00 C ATOM 549 CG LYS A 38 6.961 -2.336 -9.197 1.00 0.00 C ATOM 550 CD LYS A 38 7.485 -3.295 -10.268 1.00 0.00 C ATOM 551 CE LYS A 38 9.014 -3.268 -10.328 1.00 0.00 C ATOM 552 NZ LYS A 38 9.588 -4.146 -9.285 1.00 0.00 N ATOM 0 H LYS A 38 4.882 -1.975 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 38 5.141 -4.668 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.256 -2.172 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.143 -3.674 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.654 -1.399 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.760 -2.097 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.144 -4.308 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.074 -3.020 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.351 -3.594 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.371 -2.248 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.263 -3.604 -8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.825 -4.508 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.080 -4.944 -9.735 1.00 0.00 H new ATOM 566 N VAL A 39 3.211 -4.011 -7.645 1.00 0.00 N ATOM 567 CA VAL A 39 1.893 -4.080 -7.038 1.00 0.00 C ATOM 568 C VAL A 39 1.682 -2.854 -6.147 1.00 0.00 C ATOM 569 O VAL A 39 2.388 -1.855 -6.283 1.00 0.00 O ATOM 570 CB VAL A 39 1.732 -5.401 -6.283 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.256 -5.790 -6.169 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.543 -6.515 -6.949 1.00 0.00 C ATOM 0 H VAL A 39 3.981 -4.254 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 39 1.119 -4.063 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 39 2.121 -5.261 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.169 -6.732 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.285 -5.012 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.168 -5.903 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.411 -7.443 -6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.198 -6.654 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.598 -6.243 -6.956 1.00 0.00 H new ATOM 582 N VAL A 40 0.709 -2.969 -5.256 1.00 0.00 N ATOM 583 CA VAL A 40 0.397 -1.883 -4.343 1.00 0.00 C ATOM 584 C VAL A 40 -0.243 -2.453 -3.077 1.00 0.00 C ATOM 585 O VAL A 40 -1.456 -2.363 -2.896 1.00 0.00 O ATOM 586 CB VAL A 40 -0.485 -0.847 -5.044 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.331 0.532 -4.399 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.176 -0.789 -6.543 1.00 0.00 C ATOM 0 H VAL A 40 0.126 -3.799 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 40 1.308 -1.365 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.523 -1.157 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.969 1.249 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.623 0.478 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.708 0.853 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.816 -0.045 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.869 -0.515 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.361 -1.766 -6.991 1.00 0.00 H new ATOM 598 N GLU A 41 0.600 -3.029 -2.233 1.00 0.00 N ATOM 599 CA GLU A 41 0.131 -3.615 -0.989 1.00 0.00 C ATOM 600 C GLU A 41 0.167 -2.577 0.134 1.00 0.00 C ATOM 601 O GLU A 41 0.964 -2.688 1.063 1.00 0.00 O ATOM 602 CB GLU A 41 0.955 -4.849 -0.619 1.00 0.00 C ATOM 603 CG GLU A 41 1.229 -5.715 -1.851 1.00 0.00 C ATOM 604 CD GLU A 41 1.032 -7.199 -1.536 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.885 -7.568 -0.360 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.032 -7.979 -2.562 1.00 0.00 O ATOM 0 H GLU A 41 1.606 -3.102 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.901 -3.936 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.899 -4.539 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.423 -5.435 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.563 -5.421 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.248 -5.546 -2.199 1.00 0.00 H new ATOM 614 N LEU A 42 -0.708 -1.588 0.011 1.00 0.00 N ATOM 615 CA LEU A 42 -0.786 -0.531 1.004 1.00 0.00 C ATOM 616 C LEU A 42 -1.281 -1.115 2.328 1.00 0.00 C ATOM 617 O LEU A 42 -1.514 -2.318 2.431 1.00 0.00 O ATOM 618 CB LEU A 42 -1.639 0.629 0.485 1.00 0.00 C ATOM 619 CG LEU A 42 -1.603 0.865 -1.027 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.847 0.284 -1.701 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.419 2.350 -1.344 1.00 0.00 C ATOM 0 H LEU A 42 -1.368 -1.497 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 42 0.202 -0.111 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.673 0.454 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.315 1.543 0.983 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.740 0.339 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.797 0.465 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.894 -0.789 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.738 0.762 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.397 2.491 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.248 2.918 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.481 2.701 -0.913 1.00 0.00 H new ATOM 633 N GLY A 43 -1.427 -0.236 3.308 1.00 0.00 N ATOM 634 CA GLY A 43 -1.891 -0.650 4.621 1.00 0.00 C ATOM 635 C GLY A 43 -1.490 0.369 5.690 1.00 0.00 C ATOM 636 O GLY A 43 -1.431 1.568 5.420 1.00 0.00 O ATOM 0 H GLY A 43 -1.232 0.761 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.975 -0.762 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.472 -1.626 4.868 1.00 0.00 H new ATOM 640 N CYS A 44 -1.226 -0.145 6.883 1.00 0.00 N ATOM 641 CA CYS A 44 -0.833 0.705 7.995 1.00 0.00 C ATOM 642 C CYS A 44 0.626 0.403 8.338 1.00 0.00 C ATOM 643 O CYS A 44 1.119 -0.690 8.063 1.00 0.00 O ATOM 644 CB CYS A 44 -1.755 0.520 9.201 1.00 0.00 C ATOM 645 SG CYS A 44 -3.497 0.412 8.649 1.00 0.00 S ATOM 0 H CYS A 44 -1.277 -1.140 7.104 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.927 1.752 7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.480 -0.385 9.743 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.635 1.355 9.892 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.911 1.590 8.287 1.00 0.00 H new ATOM 651 N ALA A 45 1.278 1.389 8.935 1.00 0.00 N ATOM 652 CA ALA A 45 2.671 1.243 9.319 1.00 0.00 C ATOM 653 C ALA A 45 3.063 2.393 10.250 1.00 0.00 C ATOM 654 O ALA A 45 2.588 3.515 10.089 1.00 0.00 O ATOM 655 CB ALA A 45 3.543 1.185 8.064 1.00 0.00 C ATOM 0 H ALA A 45 0.866 2.294 9.163 1.00 0.00 H new ATOM 0 HA ALA A 45 2.823 0.312 9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.589 1.075 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.244 0.334 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.419 2.104 7.492 1.00 0.00 H new ATOM 661 N ALA A 46 3.927 2.073 11.202 1.00 0.00 N ATOM 662 CA ALA A 46 4.389 3.064 12.158 1.00 0.00 C ATOM 663 C ALA A 46 4.922 4.284 11.404 1.00 0.00 C ATOM 664 O ALA A 46 4.579 5.419 11.730 1.00 0.00 O ATOM 665 CB ALA A 46 5.442 2.440 13.075 1.00 0.00 C ATOM 0 H ALA A 46 4.319 1.140 11.332 1.00 0.00 H new ATOM 0 HA ALA A 46 3.566 3.399 12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.788 3.185 13.792 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.005 1.597 13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.285 2.093 12.478 1.00 0.00 H new ATOM 671 N THR A 47 5.752 4.007 10.408 1.00 0.00 N ATOM 672 CA THR A 47 6.337 5.068 9.605 1.00 0.00 C ATOM 673 C THR A 47 6.838 4.512 8.271 1.00 0.00 C ATOM 674 O THR A 47 7.044 3.307 8.135 1.00 0.00 O ATOM 675 CB THR A 47 7.433 5.740 10.436 1.00 0.00 C ATOM 676 OG1 THR A 47 8.226 4.653 10.906 1.00 0.00 O ATOM 677 CG2 THR A 47 6.889 6.385 11.711 1.00 0.00 C ATOM 0 H THR A 47 6.033 3.064 10.139 1.00 0.00 H new ATOM 0 HA THR A 47 5.596 5.825 9.347 1.00 0.00 H new ATOM 0 HB THR A 47 7.934 6.497 9.833 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.962 4.998 11.453 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.708 6.847 12.263 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.153 7.145 11.449 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.418 5.623 12.332 1.00 0.00 H new ATOM 685 N CYS A 48 7.023 5.416 7.321 1.00 0.00 N ATOM 686 CA CYS A 48 7.496 5.031 6.003 1.00 0.00 C ATOM 687 C CYS A 48 8.440 3.839 6.161 1.00 0.00 C ATOM 688 O CYS A 48 9.619 4.012 6.466 1.00 0.00 O ATOM 689 CB CYS A 48 8.169 6.199 5.279 1.00 0.00 C ATOM 690 SG CYS A 48 7.753 7.774 6.114 1.00 0.00 S ATOM 0 H CYS A 48 6.854 6.415 7.438 1.00 0.00 H new ATOM 0 HA CYS A 48 6.649 4.743 5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.250 6.057 5.269 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.842 6.231 4.240 1.00 0.00 H new ATOM 0 HG CYS A 48 6.493 7.777 6.432 1.00 0.00 H new ATOM 696 N PRO A 49 7.872 2.621 5.941 1.00 0.00 N ATOM 697 CA PRO A 49 8.650 1.400 6.057 1.00 0.00 C ATOM 698 C PRO A 49 9.577 1.224 4.852 1.00 0.00 C ATOM 699 O PRO A 49 10.381 0.295 4.813 1.00 0.00 O ATOM 700 CB PRO A 49 7.622 0.289 6.184 1.00 0.00 C ATOM 701 CG PRO A 49 6.315 0.870 5.670 1.00 0.00 C ATOM 702 CD PRO A 49 6.480 2.379 5.579 1.00 0.00 C ATOM 0 HA PRO A 49 9.317 1.406 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.917 -0.584 5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.524 -0.036 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.070 0.453 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.494 0.615 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.263 2.741 4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.799 2.894 6.257 1.00 0.00 H new ATOM 710 N SER A 50 9.431 2.131 3.897 1.00 0.00 N ATOM 711 CA SER A 50 10.244 2.088 2.693 1.00 0.00 C ATOM 712 C SER A 50 11.558 1.356 2.975 1.00 0.00 C ATOM 713 O SER A 50 12.159 1.538 4.032 1.00 0.00 O ATOM 714 CB SER A 50 10.524 3.497 2.166 1.00 0.00 C ATOM 715 OG SER A 50 10.093 3.659 0.819 1.00 0.00 O ATOM 0 H SER A 50 8.762 2.900 3.933 1.00 0.00 H new ATOM 0 HA SER A 50 9.691 1.546 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.019 4.227 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.592 3.703 2.232 1.00 0.00 H new ATOM 0 HG SER A 50 9.176 3.325 0.727 1.00 0.00 H new ATOM 721 N LYS A 51 11.962 0.542 2.011 1.00 0.00 N ATOM 722 CA LYS A 51 13.194 -0.219 2.142 1.00 0.00 C ATOM 723 C LYS A 51 14.341 0.557 1.493 1.00 0.00 C ATOM 724 O LYS A 51 14.708 1.636 1.958 1.00 0.00 O ATOM 725 CB LYS A 51 13.012 -1.632 1.582 1.00 0.00 C ATOM 726 CG LYS A 51 12.454 -2.576 2.649 1.00 0.00 C ATOM 727 CD LYS A 51 13.581 -3.187 3.484 1.00 0.00 C ATOM 728 CE LYS A 51 14.210 -2.140 4.406 1.00 0.00 C ATOM 729 NZ LYS A 51 13.178 -1.528 5.274 1.00 0.00 N ATOM 0 H LYS A 51 11.459 0.392 1.136 1.00 0.00 H new ATOM 0 HA LYS A 51 13.452 -0.348 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.337 -1.604 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.968 -2.010 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.769 -2.032 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.878 -3.370 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.191 -4.013 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.344 -3.601 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.982 -2.604 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.698 -1.368 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.638 -0.948 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.552 -0.928 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.618 -2.277 5.728 1.00 0.00 H new ATOM 743 N LYS A 52 14.875 -0.019 0.426 1.00 0.00 N ATOM 744 CA LYS A 52 15.972 0.605 -0.292 1.00 0.00 C ATOM 745 C LYS A 52 15.995 0.087 -1.732 1.00 0.00 C ATOM 746 O LYS A 52 16.011 0.872 -2.678 1.00 0.00 O ATOM 747 CB LYS A 52 17.290 0.399 0.457 1.00 0.00 C ATOM 748 CG LYS A 52 17.189 0.911 1.895 1.00 0.00 C ATOM 749 CD LYS A 52 16.873 -0.230 2.864 1.00 0.00 C ATOM 750 CE LYS A 52 16.771 0.283 4.301 1.00 0.00 C ATOM 751 NZ LYS A 52 18.119 0.443 4.892 1.00 0.00 N ATOM 0 H LYS A 52 14.567 -0.912 0.041 1.00 0.00 H new ATOM 0 HA LYS A 52 15.827 1.684 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.548 -0.660 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.093 0.921 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.127 1.387 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.412 1.673 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.936 -0.706 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.650 -0.992 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.245 1.238 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.185 -0.413 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.031 0.792 5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.608 -0.475 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.666 1.125 4.329 1.00 0.00 H new ATOM 765 N PRO A 53 15.996 -1.268 -1.855 1.00 0.00 N ATOM 766 CA PRO A 53 16.016 -1.901 -3.162 1.00 0.00 C ATOM 767 C PRO A 53 14.648 -1.805 -3.838 1.00 0.00 C ATOM 768 O PRO A 53 14.253 -0.737 -4.302 1.00 0.00 O ATOM 769 CB PRO A 53 16.451 -3.333 -2.899 1.00 0.00 C ATOM 770 CG PRO A 53 16.208 -3.578 -1.418 1.00 0.00 C ATOM 771 CD PRO A 53 15.978 -2.229 -0.756 1.00 0.00 C ATOM 0 HA PRO A 53 16.700 -1.413 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.880 -4.033 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.502 -3.474 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.343 -4.226 -1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.063 -4.083 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.026 -2.206 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.756 -2.009 -0.025 1.00 0.00 H new ATOM 779 N TYR A 54 13.961 -2.938 -3.874 1.00 0.00 N ATOM 780 CA TYR A 54 12.645 -2.997 -4.486 1.00 0.00 C ATOM 781 C TYR A 54 11.563 -2.535 -3.507 1.00 0.00 C ATOM 782 O TYR A 54 10.776 -1.644 -3.822 1.00 0.00 O ATOM 783 CB TYR A 54 12.405 -4.467 -4.836 1.00 0.00 C ATOM 784 CG TYR A 54 12.958 -5.450 -3.801 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.311 -5.717 -3.755 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.102 -6.068 -2.911 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.829 -6.642 -2.781 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.620 -6.992 -1.937 1.00 0.00 C ATOM 789 CZ TYR A 54 13.959 -7.234 -1.920 1.00 0.00 C ATOM 790 OH TYR A 54 14.449 -8.107 -0.999 1.00 0.00 O ATOM 0 H TYR A 54 14.292 -3.823 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 54 12.601 -2.347 -5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.333 -4.634 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.860 -4.679 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.981 -5.232 -4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.043 -5.858 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.886 -6.861 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.961 -7.482 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 54 13.713 -8.452 -0.451 1.00 0.00 H new ATOM 800 N GLU A 55 11.560 -3.162 -2.340 1.00 0.00 N ATOM 801 CA GLU A 55 10.588 -2.828 -1.314 1.00 0.00 C ATOM 802 C GLU A 55 10.300 -1.325 -1.325 1.00 0.00 C ATOM 803 O GLU A 55 10.726 -0.601 -0.427 1.00 0.00 O ATOM 804 CB GLU A 55 11.068 -3.284 0.065 1.00 0.00 C ATOM 805 CG GLU A 55 10.629 -4.721 0.352 1.00 0.00 C ATOM 806 CD GLU A 55 10.866 -5.085 1.819 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.955 -5.560 2.171 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.868 -4.856 2.605 1.00 0.00 O ATOM 0 H GLU A 55 12.216 -3.900 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 55 9.661 -3.358 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.155 -3.215 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.670 -2.619 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.572 -4.837 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.180 -5.408 -0.290 1.00 0.00 H new ATOM 816 N GLU A 56 9.578 -0.901 -2.352 1.00 0.00 N ATOM 817 CA GLU A 56 9.229 0.503 -2.491 1.00 0.00 C ATOM 818 C GLU A 56 7.946 0.810 -1.716 1.00 0.00 C ATOM 819 O GLU A 56 6.847 0.696 -2.255 1.00 0.00 O ATOM 820 CB GLU A 56 9.083 0.887 -3.965 1.00 0.00 C ATOM 821 CG GLU A 56 9.987 2.070 -4.315 1.00 0.00 C ATOM 822 CD GLU A 56 9.285 3.034 -5.274 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.591 2.589 -6.200 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.480 4.285 -5.028 1.00 0.00 O ATOM 0 H GLU A 56 9.225 -1.504 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 56 10.037 1.102 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.336 0.033 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.045 1.143 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.269 2.599 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.908 1.706 -4.770 1.00 0.00 H new ATOM 832 N VAL A 57 8.129 1.195 -0.461 1.00 0.00 N ATOM 833 CA VAL A 57 7.001 1.519 0.395 1.00 0.00 C ATOM 834 C VAL A 57 6.810 3.037 0.427 1.00 0.00 C ATOM 835 O VAL A 57 7.741 3.789 0.142 1.00 0.00 O ATOM 836 CB VAL A 57 7.206 0.913 1.785 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.876 0.780 2.527 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.923 -0.435 1.694 1.00 0.00 C ATOM 0 H VAL A 57 9.042 1.290 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 57 6.084 1.084 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 57 7.840 1.591 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.051 0.347 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.422 1.765 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.206 0.134 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.056 -0.844 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.327 -1.125 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.897 -0.298 1.225 1.00 0.00 H new ATOM 848 N THR A 58 5.597 3.442 0.774 1.00 0.00 N ATOM 849 CA THR A 58 5.272 4.856 0.845 1.00 0.00 C ATOM 850 C THR A 58 4.658 5.195 2.206 1.00 0.00 C ATOM 851 O THR A 58 5.049 4.627 3.225 1.00 0.00 O ATOM 852 CB THR A 58 4.359 5.192 -0.334 1.00 0.00 C ATOM 853 OG1 THR A 58 4.831 4.359 -1.389 1.00 0.00 O ATOM 854 CG2 THR A 58 4.574 6.612 -0.857 1.00 0.00 C ATOM 0 H THR A 58 4.827 2.815 1.009 1.00 0.00 H new ATOM 0 HA THR A 58 6.168 5.472 0.766 1.00 0.00 H new ATOM 0 HB THR A 58 3.319 5.071 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.566 3.431 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.900 6.797 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.370 7.328 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.606 6.725 -1.190 1.00 0.00 H new ATOM 862 N CYS A 59 3.707 6.117 2.178 1.00 0.00 N ATOM 863 CA CYS A 59 3.036 6.537 3.396 1.00 0.00 C ATOM 864 C CYS A 59 1.649 7.063 3.023 1.00 0.00 C ATOM 865 O CYS A 59 1.336 7.215 1.843 1.00 0.00 O ATOM 866 CB CYS A 59 3.855 7.578 4.162 1.00 0.00 C ATOM 867 SG CYS A 59 5.123 6.747 5.186 1.00 0.00 S ATOM 0 H CYS A 59 3.385 6.585 1.331 1.00 0.00 H new ATOM 0 HA CYS A 59 2.931 5.686 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.333 8.263 3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.199 8.175 4.795 1.00 0.00 H new ATOM 0 HG CYS A 59 6.255 7.375 5.069 1.00 0.00 H new ATOM 873 N CYS A 60 0.855 7.326 4.050 1.00 0.00 N ATOM 874 CA CYS A 60 -0.491 7.833 3.845 1.00 0.00 C ATOM 875 C CYS A 60 -1.146 8.027 5.214 1.00 0.00 C ATOM 876 O CYS A 60 -1.374 7.061 5.941 1.00 0.00 O ATOM 877 CB CYS A 60 -1.313 6.905 2.947 1.00 0.00 C ATOM 878 SG CYS A 60 -2.969 6.632 3.678 1.00 0.00 S ATOM 0 H CYS A 60 1.118 7.197 5.027 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.446 8.790 3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.413 7.341 1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.798 5.952 2.826 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.847 6.381 4.948 1.00 0.00 H new ATOM 884 N SER A 61 -1.427 9.285 5.525 1.00 0.00 N ATOM 885 CA SER A 61 -2.049 9.619 6.794 1.00 0.00 C ATOM 886 C SER A 61 -3.487 10.088 6.566 1.00 0.00 C ATOM 887 O SER A 61 -4.365 9.840 7.390 1.00 0.00 O ATOM 888 CB SER A 61 -1.251 10.696 7.533 1.00 0.00 C ATOM 889 OG SER A 61 -1.538 12.003 7.042 1.00 0.00 O ATOM 0 H SER A 61 -1.235 10.084 4.920 1.00 0.00 H new ATOM 0 HA SER A 61 -2.060 8.723 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.480 10.650 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.185 10.495 7.427 1.00 0.00 H new ATOM 0 HG SER A 61 -1.011 12.662 7.540 1.00 0.00 H new ATOM 895 N THR A 62 -3.684 10.758 5.440 1.00 0.00 N ATOM 896 CA THR A 62 -5.001 11.265 5.091 1.00 0.00 C ATOM 897 C THR A 62 -6.051 10.162 5.232 1.00 0.00 C ATOM 898 O THR A 62 -5.710 8.986 5.348 1.00 0.00 O ATOM 899 CB THR A 62 -4.922 11.853 3.682 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.562 11.666 3.301 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.107 13.373 3.669 1.00 0.00 C ATOM 0 H THR A 62 -2.954 10.962 4.757 1.00 0.00 H new ATOM 0 HA THR A 62 -5.314 12.057 5.772 1.00 0.00 H new ATOM 0 HB THR A 62 -5.683 11.389 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.321 10.721 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.042 13.739 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.084 13.624 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.327 13.840 4.271 1.00 0.00 H new ATOM 909 N ASP A 63 -7.309 10.580 5.218 1.00 0.00 N ATOM 910 CA ASP A 63 -8.411 9.642 5.343 1.00 0.00 C ATOM 911 C ASP A 63 -8.532 8.828 4.052 1.00 0.00 C ATOM 912 O ASP A 63 -9.036 9.324 3.047 1.00 0.00 O ATOM 913 CB ASP A 63 -9.736 10.375 5.564 1.00 0.00 C ATOM 914 CG ASP A 63 -10.142 10.550 7.030 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.457 9.573 7.726 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.124 11.766 7.458 1.00 0.00 O ATOM 0 H ASP A 63 -7.589 11.556 5.122 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.208 8.996 6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.671 11.359 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.526 9.831 5.046 1.00 0.00 H new ATOM 922 N LYS A 64 -8.060 7.593 4.125 1.00 0.00 N ATOM 923 CA LYS A 64 -8.107 6.705 2.974 1.00 0.00 C ATOM 924 C LYS A 64 -7.201 7.257 1.872 1.00 0.00 C ATOM 925 O LYS A 64 -7.627 7.399 0.726 1.00 0.00 O ATOM 926 CB LYS A 64 -9.553 6.483 2.529 1.00 0.00 C ATOM 927 CG LYS A 64 -10.383 5.857 3.653 1.00 0.00 C ATOM 928 CD LYS A 64 -11.869 5.834 3.288 1.00 0.00 C ATOM 929 CE LYS A 64 -12.664 4.988 4.284 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.178 3.764 3.629 1.00 0.00 N ATOM 0 H LYS A 64 -7.643 7.185 4.962 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.724 5.719 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.996 7.434 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.572 5.834 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.036 4.842 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.240 6.422 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.260 6.851 3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.994 5.432 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.030 4.717 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.494 5.570 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.234 2.994 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.125 3.949 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.537 3.487 2.858 1.00 0.00 H new ATOM 944 N CYS A 65 -5.968 7.553 2.257 1.00 0.00 N ATOM 945 CA CYS A 65 -4.999 8.087 1.315 1.00 0.00 C ATOM 946 C CYS A 65 -4.090 6.944 0.861 1.00 0.00 C ATOM 947 O CYS A 65 -2.938 7.170 0.495 1.00 0.00 O ATOM 948 CB CYS A 65 -4.202 9.246 1.918 1.00 0.00 C ATOM 949 SG CYS A 65 -3.837 8.904 3.678 1.00 0.00 S ATOM 0 H CYS A 65 -5.618 7.433 3.208 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.519 8.501 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.273 9.386 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.768 10.173 1.829 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.982 7.634 3.912 1.00 0.00 H new ATOM 955 N ASN A 66 -4.642 5.740 0.901 1.00 0.00 N ATOM 956 CA ASN A 66 -3.894 4.560 0.498 1.00 0.00 C ATOM 957 C ASN A 66 -4.450 4.038 -0.827 1.00 0.00 C ATOM 958 O ASN A 66 -4.089 2.948 -1.270 1.00 0.00 O ATOM 959 CB ASN A 66 -4.025 3.445 1.538 1.00 0.00 C ATOM 960 CG ASN A 66 -2.662 3.088 2.135 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.423 1.980 2.582 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.786 4.088 2.114 1.00 0.00 N ATOM 0 H ASN A 66 -5.598 5.556 1.206 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.845 4.841 0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.702 3.761 2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.466 2.562 1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.847 3.951 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.053 4.992 1.724 1.00 0.00 H new ATOM 969 N PRO A 67 -5.342 4.862 -1.442 1.00 0.00 N ATOM 970 CA PRO A 67 -5.949 4.494 -2.710 1.00 0.00 C ATOM 971 C PRO A 67 -4.956 4.652 -3.862 1.00 0.00 C ATOM 972 O PRO A 67 -5.107 5.543 -4.698 1.00 0.00 O ATOM 973 CB PRO A 67 -7.162 5.400 -2.842 1.00 0.00 C ATOM 974 CG PRO A 67 -6.928 6.553 -1.879 1.00 0.00 C ATOM 975 CD PRO A 67 -5.792 6.159 -0.948 1.00 0.00 C ATOM 0 HA PRO A 67 -6.245 3.446 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.270 5.761 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.078 4.864 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.676 7.462 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.833 6.764 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.987 6.893 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.132 6.093 0.086 1.00 0.00 H new ATOM 983 N HIS A 68 -3.961 3.776 -3.869 1.00 0.00 N ATOM 984 CA HIS A 68 -2.943 3.809 -4.904 1.00 0.00 C ATOM 985 C HIS A 68 -3.588 4.154 -6.249 1.00 0.00 C ATOM 986 O HIS A 68 -4.789 3.963 -6.432 1.00 0.00 O ATOM 987 CB HIS A 68 -2.162 2.494 -4.940 1.00 0.00 C ATOM 988 CG HIS A 68 -3.035 1.264 -5.038 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.908 0.335 -6.056 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.045 0.823 -4.235 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.807 -0.619 -5.864 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.510 -0.315 -4.736 1.00 0.00 N ATOM 0 H HIS A 68 -3.839 3.039 -3.174 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.216 4.589 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.480 2.512 -5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.550 2.422 -4.041 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.237 0.378 -6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.405 1.315 -3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.957 -1.486 -6.491 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.739 4.666 -7.179 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.214 5.037 -8.501 1.00 0.00 C ATOM 1003 C PRO A 69 -3.464 3.799 -9.362 1.00 0.00 C ATOM 1004 O PRO A 69 -2.522 3.172 -9.845 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.134 5.945 -9.066 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.889 5.677 -8.238 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.310 4.904 -6.998 1.00 0.00 C ATOM 0 HA PRO A 69 -4.175 5.551 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.956 5.731 -10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.430 6.992 -8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.162 5.105 -8.816 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.408 6.614 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.760 3.967 -6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.115 5.475 -6.090 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.740 3.481 -9.529 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.127 2.326 -10.323 1.00 0.00 C ATOM 1017 C LYS A 70 -6.593 2.467 -10.738 1.00 0.00 C ATOM 1018 O LYS A 70 -6.951 2.158 -11.873 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.822 1.031 -9.568 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.960 1.303 -8.334 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.695 2.203 -7.339 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.178 1.834 -7.258 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.943 2.904 -6.582 1.00 0.00 N ATOM 0 H LYS A 70 -5.519 4.003 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.539 2.278 -11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.755 0.554 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.307 0.334 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.699 0.360 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.025 1.776 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.239 2.110 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.592 3.245 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.574 1.674 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.296 0.896 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.258 2.569 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.338 3.741 -6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.772 3.155 -7.158 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.400 2.933 -9.796 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.818 3.117 -10.050 1.00 0.00 C ATOM 1039 C GLN A 71 -9.027 3.998 -11.283 1.00 0.00 C ATOM 1040 O GLN A 71 -9.292 5.192 -11.161 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.522 3.711 -8.828 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.891 2.617 -7.823 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.378 3.224 -6.507 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.459 3.783 -6.415 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.526 3.084 -5.496 1.00 0.00 N ATOM 0 H GLN A 71 -7.098 3.189 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.261 2.140 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.873 4.445 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.422 4.239 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.669 1.979 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.025 1.982 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.637 2.605 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.761 3.455 -4.576 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.897 3.373 -12.445 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.069 4.086 -13.700 1.00 0.00 C ATOM 1056 C ARG A 72 -9.248 3.096 -14.853 1.00 0.00 C ATOM 1057 O ARG A 72 -8.492 2.132 -14.972 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.864 4.984 -13.992 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.754 5.285 -15.488 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.741 4.357 -16.160 1.00 0.00 C ATOM 1061 NE ARG A 72 -5.632 5.151 -16.737 1.00 0.00 N ATOM 1062 CZ ARG A 72 -4.634 4.628 -17.480 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.597 3.306 -17.745 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -3.695 5.432 -17.945 1.00 0.00 N ATOM 0 H ARG A 72 -8.675 2.382 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.959 4.708 -13.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.958 5.917 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.951 4.498 -13.647 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.730 5.167 -15.959 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.454 6.323 -15.633 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.350 3.645 -15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.230 3.777 -16.943 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.622 6.156 -16.562 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.327 2.693 -17.383 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.839 2.920 -18.307 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.732 6.431 -17.741 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.933 5.054 -18.508 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.280 3.374 -15.694 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.570 2.518 -16.832 1.00 0.00 C ATOM 1080 C PRO A 73 -9.552 2.736 -17.954 1.00 0.00 C ATOM 1081 O PRO A 73 -9.518 3.801 -18.567 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.990 2.874 -17.241 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.275 4.231 -16.618 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.197 4.504 -15.582 1.00 0.00 C ATOM 0 HA PRO A 73 -10.494 1.458 -16.591 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.085 2.915 -18.326 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.698 2.125 -16.886 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.276 5.009 -17.382 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.261 4.238 -16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.688 5.448 -15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.620 4.573 -14.580 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.748 1.709 -18.187 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.732 1.775 -19.224 1.00 0.00 C ATOM 1094 C GLY A 74 -6.922 0.478 -19.281 1.00 0.00 C ATOM 1095 O GLY A 74 -6.012 0.346 -20.098 1.00 0.00 O ATOM 0 H GLY A 74 -8.779 0.827 -17.676 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.204 1.956 -20.190 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.066 2.616 -19.032 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.122 -10.455 -10.818 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.476 -10.096 -9.456 1.00 0.00 C ATOM 1102 C HIS B 1 -6.227 -9.625 -8.709 1.00 0.00 C ATOM 1103 O HIS B 1 -5.495 -10.436 -8.142 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.184 -11.257 -8.755 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.598 -10.956 -7.333 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -7.684 -10.720 -6.321 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -9.835 -10.854 -6.767 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.352 -10.489 -5.201 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -9.684 -10.573 -5.479 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.915 -10.961 -11.261 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.915 -9.593 -11.362 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.282 -11.068 -10.808 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.185 -9.268 -9.466 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.069 -11.530 -9.330 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.524 -12.124 -8.755 1.00 0.00 H new ATOM 0 HD1 HIS B 1 -6.669 -10.723 -6.421 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.777 -10.980 -7.280 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -7.918 -10.272 -4.236 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.021 -8.316 -8.731 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.873 -7.728 -8.063 1.00 0.00 C ATOM 1120 C ARG B 2 -5.049 -6.213 -7.940 1.00 0.00 C ATOM 1121 O ARG B 2 -5.933 -5.635 -8.568 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.579 -8.023 -8.827 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.801 -9.161 -8.164 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.516 -8.641 -7.518 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.096 -9.546 -6.425 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.846 -9.808 -5.330 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.057 -9.234 -5.177 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.373 -10.634 -4.415 1.00 0.00 N ATOM 0 H ARG B 2 -6.630 -7.646 -9.201 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.805 -8.172 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.813 -8.289 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.960 -7.126 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.424 -9.641 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.558 -9.921 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.726 -8.570 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.677 -7.636 -7.128 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.186 -10.000 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.413 -8.597 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.616 -9.437 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.456 -11.063 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.925 -10.843 -3.583 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.193 -5.614 -7.125 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.243 -4.178 -6.910 1.00 0.00 C ATOM 1144 C TYR B 3 -2.964 -3.504 -7.412 1.00 0.00 C ATOM 1145 O TYR B 3 -2.352 -2.714 -6.693 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.351 -3.981 -5.397 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.576 -5.277 -4.616 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.505 -6.085 -4.296 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.852 -5.637 -4.229 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.717 -7.304 -3.561 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.064 -6.855 -3.493 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.986 -7.629 -3.196 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.187 -8.782 -2.501 1.00 0.00 O ATOM 0 H TYR B 3 -3.460 -6.098 -6.605 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.082 -3.738 -7.449 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.439 -3.505 -5.037 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.172 -3.295 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.507 -5.803 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.691 -5.004 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.887 -7.946 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.056 -7.148 -3.184 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.677 -8.585 -1.676 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.599 -3.838 -8.641 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.404 -3.276 -9.246 1.00 0.00 C ATOM 1165 C TYR B 4 -1.494 -1.749 -9.319 1.00 0.00 C ATOM 1166 O TYR B 4 -2.350 -1.143 -8.678 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.345 -3.840 -10.666 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.358 -4.998 -10.836 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.766 -6.292 -10.590 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.938 -4.746 -11.234 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.162 -7.382 -10.749 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.867 -5.835 -11.393 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.433 -7.099 -11.143 1.00 0.00 C ATOM 1174 OH TYR B 4 2.310 -8.128 -11.293 1.00 0.00 O ATOM 0 H TYR B 4 -3.110 -4.491 -9.234 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.521 -3.529 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.340 -4.180 -10.953 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.071 -3.039 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.781 -6.488 -10.278 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.256 -3.732 -11.426 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.144 -8.400 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.885 -5.652 -11.704 1.00 0.00 H new ATOM 0 HH TYR B 4 3.039 -8.034 -10.645 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.596 -1.174 -10.105 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.562 0.270 -10.271 1.00 0.00 C ATOM 1186 C GLU B 5 -1.122 0.661 -11.640 1.00 0.00 C ATOM 1187 O GLU B 5 -0.602 1.564 -12.292 1.00 0.00 O ATOM 1188 CB GLU B 5 0.857 0.810 -10.084 1.00 0.00 C ATOM 1189 CG GLU B 5 1.654 0.717 -11.385 1.00 0.00 C ATOM 1190 CD GLU B 5 2.008 2.109 -11.911 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.628 2.907 -11.191 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.617 2.353 -13.116 1.00 0.00 O ATOM 0 H GLU B 5 0.114 -1.681 -10.634 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.191 0.719 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.814 1.848 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.364 0.246 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.566 0.145 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.073 0.178 -12.134 1.00 0.00 H new ATOM 1200 N SER B 6 -2.175 -0.039 -12.035 1.00 0.00 N ATOM 1201 CA SER B 6 -2.810 0.222 -13.316 1.00 0.00 C ATOM 1202 C SER B 6 -4.307 -0.077 -13.229 1.00 0.00 C ATOM 1203 O SER B 6 -5.043 0.133 -14.191 1.00 0.00 O ATOM 1204 CB SER B 6 -2.167 -0.607 -14.429 1.00 0.00 C ATOM 1205 OG SER B 6 -2.150 0.090 -15.673 1.00 0.00 O ATOM 0 H SER B 6 -2.605 -0.787 -11.491 1.00 0.00 H new ATOM 0 HA SER B 6 -2.670 1.276 -13.558 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.147 -0.866 -14.145 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.713 -1.543 -14.545 1.00 0.00 H new ATOM 0 HG SER B 6 -1.297 -0.073 -16.128 1.00 0.00 H new ATOM 1211 N SER B 7 -4.714 -0.564 -12.065 1.00 0.00 N ATOM 1212 CA SER B 7 -6.111 -0.894 -11.840 1.00 0.00 C ATOM 1213 C SER B 7 -6.323 -1.295 -10.378 1.00 0.00 C ATOM 1214 O SER B 7 -5.362 -1.535 -9.650 1.00 0.00 O ATOM 1215 CB SER B 7 -6.568 -2.019 -12.771 1.00 0.00 C ATOM 1216 OG SER B 7 -7.852 -2.521 -12.411 1.00 0.00 O ATOM 0 H SER B 7 -4.101 -0.738 -11.269 1.00 0.00 H new ATOM 0 HA SER B 7 -6.712 -0.012 -12.060 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.597 -1.651 -13.797 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.841 -2.830 -12.743 1.00 0.00 H new ATOM 0 HG SER B 7 -8.511 -1.797 -12.458 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.591 -1.356 -9.993 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.942 -1.723 -8.632 1.00 0.00 C ATOM 1224 C LEU B 8 -8.940 -2.883 -8.662 1.00 0.00 C ATOM 1225 O LEU B 8 -9.059 -3.630 -7.693 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.443 -0.501 -7.859 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.360 -0.592 -6.334 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.527 -1.405 -5.770 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.006 -1.147 -5.889 1.00 0.00 C ATOM 0 H LEU B 8 -8.386 -1.157 -10.600 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.061 -2.073 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.871 0.369 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.482 -0.321 -8.136 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.442 0.416 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.445 -1.455 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.468 -0.927 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.501 -2.414 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.975 -1.201 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.867 -2.145 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.210 -0.492 -6.243 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.631 -2.996 -9.787 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.615 -4.052 -9.957 1.00 0.00 C ATOM 1243 C GLU B 9 -9.935 -5.345 -10.409 1.00 0.00 C ATOM 1244 O GLU B 9 -8.961 -5.308 -11.159 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.705 -3.632 -10.944 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.269 -2.255 -10.588 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.630 -2.179 -9.103 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -11.840 -1.664 -8.297 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -13.779 -2.680 -8.795 1.00 0.00 O ATOM 0 H GLU B 9 -9.529 -2.374 -10.589 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.093 -4.234 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.297 -3.611 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.508 -4.369 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.536 -1.485 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -13.154 -2.053 -11.192 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.486 -6.488 -9.921 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.943 -7.789 -10.266 1.00 0.00 C ATOM 1259 C PRO B 10 -10.319 -8.178 -11.697 1.00 0.00 C ATOM 1260 O PRO B 10 -10.354 -9.361 -12.034 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.508 -8.741 -9.224 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.707 -8.031 -8.617 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.640 -6.569 -9.028 1.00 0.00 C ATOM 0 HA PRO B 10 -8.853 -7.807 -10.253 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.803 -9.687 -9.678 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.764 -8.972 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.635 -8.483 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.696 -8.123 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.554 -6.257 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.517 -5.919 -8.162 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.591 -7.161 -12.500 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.963 -7.381 -13.887 1.00 0.00 C ATOM 1273 C TRP B 11 -9.983 -6.606 -14.770 1.00 0.00 C ATOM 1274 O TRP B 11 -9.587 -7.083 -15.831 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.422 -6.993 -14.132 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.145 -7.888 -15.142 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.938 -9.188 -15.388 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.204 -7.491 -16.038 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.783 -9.657 -16.372 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.577 -8.593 -16.779 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.827 -6.243 -16.214 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.586 -8.557 -17.750 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.834 -6.224 -17.189 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -16.220 -7.324 -17.944 1.00 0.00 C ATOM 0 H TRP B 11 -10.561 -6.182 -12.217 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.896 -8.439 -14.139 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.959 -7.025 -13.184 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.458 -5.962 -14.485 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.202 -9.793 -14.880 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.818 -10.610 -16.734 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.552 -5.368 -15.643 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.860 -9.433 -18.318 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -16.345 -5.289 -17.365 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -17.006 -7.229 -18.678 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.620 -5.424 -14.296 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.692 -4.577 -15.029 1.00 0.00 C ATOM 1297 C TYR B 12 -7.252 -4.819 -14.574 1.00 0.00 C ATOM 1298 O TYR B 12 -6.325 -4.770 -15.382 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.086 -3.135 -14.697 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.235 -2.593 -15.549 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.440 -3.262 -15.590 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.066 -1.431 -16.275 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.522 -2.752 -16.390 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.146 -0.920 -17.077 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.322 -1.605 -17.095 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.344 -1.122 -17.850 1.00 0.00 O ATOM 0 H TYR B 12 -9.951 -5.032 -13.414 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.741 -4.788 -16.097 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.369 -3.079 -13.646 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.216 -2.492 -14.827 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.572 -4.170 -15.021 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.123 -0.905 -16.241 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.470 -3.267 -16.430 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.026 -0.013 -17.652 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.059 -0.298 -18.297 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.105 -5.079 -13.247 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.793 -5.329 -12.674 1.00 0.00 C ATOM 1318 C PRO B 13 -5.291 -6.727 -13.041 1.00 0.00 C ATOM 1319 O PRO B 13 -4.103 -6.916 -13.298 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.974 -5.136 -11.178 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.468 -5.244 -10.921 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.179 -5.145 -12.262 1.00 0.00 C ATOM 0 HA PRO B 13 -5.030 -4.653 -13.060 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.426 -5.893 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.592 -4.166 -10.860 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.704 -6.189 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.799 -4.449 -10.253 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.822 -6.008 -12.434 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.814 -4.261 -12.309 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.221 -7.669 -13.054 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.888 -9.045 -13.384 1.00 0.00 C ATOM 1332 C ASP B 14 -7.163 -9.890 -13.378 1.00 0.00 C ATOM 1333 O ASP B 14 -7.953 -9.837 -14.321 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.923 -9.640 -12.358 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.819 -11.166 -12.375 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.838 -11.874 -12.394 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -3.617 -11.631 -12.368 1.00 0.00 O ATOM 0 H ASP B 14 -7.205 -7.508 -12.841 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.418 -9.050 -14.367 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.931 -9.222 -12.530 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.235 -9.323 -11.363 1.00 0.00 H new TER 1343 ASP B 14