USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 337 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 Single : A 1 LEU N :NH3+ 144:sc= 0.0812 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0.0192 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0714! USER MOD Single : A 20 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=0.58) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 31 TYR OH : rot 17:sc= -4.66! USER MOD Single : A 33 ASN : amide:sc= -4.26! C(o=-4.3!,f=-6.6!) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 1.61 (180deg=-0.556) USER MOD Single : A 36 ASN : amide:sc=-0.00437 X(o=-0.0044,f=-0.32) USER MOD Single : A 39 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 44 SER OG : rot 130:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -2.12 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -1.61! C(o=-1.6!,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -5.882 0.791 -13.308 1.00 0.00 N ATOM 2 CA LEU A 1 -6.991 1.663 -13.652 1.00 0.00 C ATOM 3 C LEU A 1 -7.217 2.667 -12.519 1.00 0.00 C ATOM 4 O LEU A 1 -6.836 2.413 -11.377 1.00 0.00 O ATOM 5 CB LEU A 1 -8.234 0.840 -13.999 1.00 0.00 C ATOM 6 CG LEU A 1 -8.571 0.730 -15.487 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.651 -0.733 -15.924 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.854 1.497 -15.816 1.00 0.00 C ATOM 0 H1 LEU A 1 -6.072 -0.168 -13.662 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.008 1.153 -13.741 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.770 0.763 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.757 2.239 -14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.102 -0.166 -13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.090 1.276 -13.484 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.764 1.192 -16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.892 -0.783 -16.986 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -7.692 -1.219 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.427 -1.242 -15.352 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.071 1.403 -16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.682 1.086 -15.239 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.724 2.549 -15.564 1.00 0.00 H new ATOM 19 N ALA A 2 -7.833 3.784 -12.874 1.00 0.00 N ATOM 20 CA ALA A 2 -8.113 4.826 -11.901 1.00 0.00 C ATOM 21 C ALA A 2 -9.255 4.374 -10.990 1.00 0.00 C ATOM 22 O ALA A 2 -10.405 4.767 -11.187 1.00 0.00 O ATOM 23 CB ALA A 2 -8.431 6.133 -12.630 1.00 0.00 C ATOM 0 H ALA A 2 -8.146 3.991 -13.822 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.242 5.007 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.641 6.915 -11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.577 6.426 -13.240 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.302 5.990 -13.270 1.00 0.00 H new ATOM 29 N ALA A 3 -8.901 3.554 -10.012 1.00 0.00 N ATOM 30 CA ALA A 3 -9.882 3.044 -9.070 1.00 0.00 C ATOM 31 C ALA A 3 -9.180 2.665 -7.764 1.00 0.00 C ATOM 32 O ALA A 3 -7.999 2.321 -7.767 1.00 0.00 O ATOM 33 CB ALA A 3 -10.626 1.863 -9.696 1.00 0.00 C ATOM 0 H ALA A 3 -7.947 3.230 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.623 3.809 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.362 1.481 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.132 2.192 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.915 1.074 -9.942 1.00 0.00 H new ATOM 39 N VAL A 4 -9.937 2.739 -6.679 1.00 0.00 N ATOM 40 CA VAL A 4 -9.402 2.407 -5.369 1.00 0.00 C ATOM 41 C VAL A 4 -8.194 3.299 -5.075 1.00 0.00 C ATOM 42 O VAL A 4 -7.639 3.916 -5.982 1.00 0.00 O ATOM 43 CB VAL A 4 -9.073 0.914 -5.301 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.246 0.592 -4.055 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.347 0.069 -5.348 1.00 0.00 C ATOM 0 H VAL A 4 -10.916 3.024 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.144 2.599 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.473 0.662 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.026 -0.475 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.313 1.155 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.809 0.867 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.085 -0.988 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.985 0.325 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.881 0.267 -6.278 1.00 0.00 H new ATOM 55 N SER A 5 -7.826 3.340 -3.803 1.00 0.00 N ATOM 56 CA SER A 5 -6.694 4.147 -3.379 1.00 0.00 C ATOM 57 C SER A 5 -6.519 4.046 -1.861 1.00 0.00 C ATOM 58 O SER A 5 -7.483 4.197 -1.112 1.00 0.00 O ATOM 59 CB SER A 5 -6.871 5.608 -3.796 1.00 0.00 C ATOM 60 OG SER A 5 -5.635 6.212 -4.166 1.00 0.00 O ATOM 0 H SER A 5 -8.291 2.828 -3.053 1.00 0.00 H new ATOM 0 HA SER A 5 -5.799 3.764 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.567 5.664 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.316 6.168 -2.974 1.00 0.00 H new ATOM 0 HG SER A 5 -5.791 7.144 -4.427 1.00 0.00 H new ATOM 65 N VAL A 6 -5.285 3.791 -1.455 1.00 0.00 N ATOM 66 CA VAL A 6 -4.972 3.670 -0.041 1.00 0.00 C ATOM 67 C VAL A 6 -4.399 4.994 0.467 1.00 0.00 C ATOM 68 O VAL A 6 -3.289 5.376 0.097 1.00 0.00 O ATOM 69 CB VAL A 6 -4.032 2.484 0.186 1.00 0.00 C ATOM 70 CG1 VAL A 6 -4.533 1.239 -0.547 1.00 0.00 C ATOM 71 CG2 VAL A 6 -2.602 2.831 -0.235 1.00 0.00 C ATOM 0 H VAL A 6 -4.489 3.665 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.875 3.467 0.534 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.023 2.262 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.847 0.411 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.524 0.974 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.586 1.443 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.954 1.972 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.587 3.091 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.245 3.677 0.352 1.00 0.00 H new ATOM 81 N ASP A 7 -5.180 5.658 1.306 1.00 0.00 N ATOM 82 CA ASP A 7 -4.763 6.931 1.868 1.00 0.00 C ATOM 83 C ASP A 7 -3.810 6.679 3.038 1.00 0.00 C ATOM 84 O ASP A 7 -4.099 5.867 3.915 1.00 0.00 O ATOM 85 CB ASP A 7 -5.963 7.719 2.397 1.00 0.00 C ATOM 86 CG ASP A 7 -6.405 7.350 3.815 1.00 0.00 C ATOM 87 OD1 ASP A 7 -5.917 7.918 4.803 1.00 0.00 O ATOM 88 OD2 ASP A 7 -7.301 6.425 3.883 1.00 0.00 O ATOM 0 H ASP A 7 -6.100 5.338 1.610 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.275 7.504 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.720 8.781 2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.804 7.569 1.720 1.00 0.00 H new ATOM 93 N CYS A 8 -2.693 7.392 3.013 1.00 0.00 N ATOM 94 CA CYS A 8 -1.696 7.257 4.060 1.00 0.00 C ATOM 95 C CYS A 8 -1.614 8.582 4.821 1.00 0.00 C ATOM 96 O CYS A 8 -0.535 8.994 5.245 1.00 0.00 O ATOM 97 CB CYS A 8 -0.336 6.838 3.497 1.00 0.00 C ATOM 98 SG CYS A 8 0.014 5.044 3.593 1.00 0.00 S ATOM 0 H CYS A 8 -2.457 8.065 2.284 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.992 6.463 4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.278 7.150 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.445 7.376 4.034 1.00 0.00 H new ATOM 102 N SER A 9 -2.769 9.213 4.970 1.00 0.00 N ATOM 103 CA SER A 9 -2.843 10.484 5.672 1.00 0.00 C ATOM 104 C SER A 9 -3.028 10.243 7.172 1.00 0.00 C ATOM 105 O SER A 9 -2.814 11.146 7.980 1.00 0.00 O ATOM 106 CB SER A 9 -3.981 11.349 5.128 1.00 0.00 C ATOM 107 OG SER A 9 -3.657 12.737 5.157 1.00 0.00 O ATOM 0 H SER A 9 -3.662 8.868 4.617 1.00 0.00 H new ATOM 0 HA SER A 9 -1.908 11.020 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.206 11.050 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.882 11.175 5.716 1.00 0.00 H new ATOM 0 HG SER A 9 -4.408 13.256 4.800 1.00 0.00 H new ATOM 112 N GLU A 10 -3.425 9.022 7.498 1.00 0.00 N ATOM 113 CA GLU A 10 -3.641 8.652 8.886 1.00 0.00 C ATOM 114 C GLU A 10 -2.822 7.408 9.238 1.00 0.00 C ATOM 115 O GLU A 10 -3.144 6.697 10.188 1.00 0.00 O ATOM 116 CB GLU A 10 -5.128 8.425 9.167 1.00 0.00 C ATOM 117 CG GLU A 10 -5.648 7.197 8.415 1.00 0.00 C ATOM 118 CD GLU A 10 -6.905 6.636 9.084 1.00 0.00 C ATOM 119 OE1 GLU A 10 -8.018 7.103 8.803 1.00 0.00 O ATOM 120 OE2 GLU A 10 -6.693 5.680 9.923 1.00 0.00 O ATOM 0 H GLU A 10 -3.603 8.276 6.825 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.306 9.475 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.283 8.293 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.697 9.306 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.870 7.466 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.874 6.430 8.385 1.00 0.00 H new ATOM 126 N TYR A 11 -1.777 7.186 8.454 1.00 0.00 N ATOM 127 CA TYR A 11 -0.909 6.041 8.671 1.00 0.00 C ATOM 128 C TYR A 11 0.518 6.340 8.205 1.00 0.00 C ATOM 129 O TYR A 11 0.865 6.082 7.054 1.00 0.00 O ATOM 130 CB TYR A 11 -1.484 4.908 7.821 1.00 0.00 C ATOM 131 CG TYR A 11 -2.597 4.116 8.509 1.00 0.00 C ATOM 132 CD1 TYR A 11 -2.383 3.568 9.758 1.00 0.00 C ATOM 133 CD2 TYR A 11 -3.815 3.949 7.882 1.00 0.00 C ATOM 134 CE1 TYR A 11 -3.431 2.823 10.407 1.00 0.00 C ATOM 135 CE2 TYR A 11 -4.863 3.204 8.531 1.00 0.00 C ATOM 136 CZ TYR A 11 -4.619 2.678 9.761 1.00 0.00 C ATOM 137 OH TYR A 11 -5.608 1.974 10.374 1.00 0.00 O ATOM 0 H TYR A 11 -1.512 7.779 7.668 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.866 5.787 9.730 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.871 5.326 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.679 4.224 7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.430 3.698 10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.982 4.377 6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.277 2.390 11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.821 3.066 8.052 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.400 1.953 9.797 1.00 0.00 H new ATOM 146 N PRO A 12 1.326 6.893 9.148 1.00 0.00 N ATOM 147 CA PRO A 12 2.708 7.230 8.845 1.00 0.00 C ATOM 148 C PRO A 12 3.578 5.973 8.788 1.00 0.00 C ATOM 149 O PRO A 12 3.199 4.926 9.312 1.00 0.00 O ATOM 150 CB PRO A 12 3.128 8.193 9.944 1.00 0.00 C ATOM 151 CG PRO A 12 2.127 8.000 11.072 1.00 0.00 C ATOM 152 CD PRO A 12 0.949 7.213 10.521 1.00 0.00 C ATOM 0 HA PRO A 12 2.824 7.691 7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.143 7.982 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.119 9.222 9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.587 7.466 11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.795 8.964 11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.770 6.309 11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.031 7.800 10.553 1.00 0.00 H new ATOM 157 N LYS A 13 4.728 6.117 8.146 1.00 0.00 N ATOM 158 CA LYS A 13 5.654 5.005 8.012 1.00 0.00 C ATOM 159 C LYS A 13 6.116 4.562 9.403 1.00 0.00 C ATOM 160 O LYS A 13 6.641 3.462 9.565 1.00 0.00 O ATOM 161 CB LYS A 13 6.803 5.376 7.072 1.00 0.00 C ATOM 162 CG LYS A 13 7.518 4.124 6.561 1.00 0.00 C ATOM 163 CD LYS A 13 9.027 4.217 6.798 1.00 0.00 C ATOM 164 CE LYS A 13 9.542 2.986 7.545 1.00 0.00 C ATOM 165 NZ LYS A 13 10.678 3.349 8.422 1.00 0.00 N ATOM 0 H LYS A 13 5.040 6.986 7.713 1.00 0.00 H new ATOM 0 HA LYS A 13 5.159 4.150 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.417 5.949 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.513 6.017 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.121 3.243 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.321 3.998 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.544 4.309 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.254 5.116 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.739 2.553 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.855 2.225 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.015 2.502 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.450 3.742 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.368 4.059 9.116 1.00 0.00 H new ATOM 175 N ASP A 14 5.903 5.443 10.370 1.00 0.00 N ATOM 176 CA ASP A 14 6.291 5.157 11.741 1.00 0.00 C ATOM 177 C ASP A 14 5.257 4.223 12.374 1.00 0.00 C ATOM 178 O ASP A 14 5.606 3.157 12.880 1.00 0.00 O ATOM 179 CB ASP A 14 6.347 6.438 12.576 1.00 0.00 C ATOM 180 CG ASP A 14 7.063 6.301 13.921 1.00 0.00 C ATOM 181 OD1 ASP A 14 8.291 6.449 14.010 1.00 0.00 O ATOM 182 OD2 ASP A 14 6.295 6.027 14.921 1.00 0.00 O ATOM 0 H ASP A 14 5.467 6.355 10.231 1.00 0.00 H new ATOM 0 HA ASP A 14 7.278 4.695 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.845 7.212 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.328 6.781 12.757 1.00 0.00 H new ATOM 187 N ALA A 15 4.007 4.657 12.326 1.00 0.00 N ATOM 188 CA ALA A 15 2.920 3.874 12.889 1.00 0.00 C ATOM 189 C ALA A 15 2.657 2.659 11.997 1.00 0.00 C ATOM 190 O ALA A 15 1.560 2.504 11.461 1.00 0.00 O ATOM 191 CB ALA A 15 1.683 4.759 13.049 1.00 0.00 C ATOM 0 H ALA A 15 3.722 5.542 11.906 1.00 0.00 H new ATOM 0 HA ALA A 15 3.186 3.504 13.879 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.868 4.172 13.471 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.914 5.590 13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.384 5.147 12.075 1.00 0.00 H new ATOM 197 N CYS A 16 3.682 1.830 11.863 1.00 0.00 N ATOM 198 CA CYS A 16 3.574 0.634 11.045 1.00 0.00 C ATOM 199 C CYS A 16 4.305 -0.504 11.760 1.00 0.00 C ATOM 200 O CYS A 16 5.430 -0.848 11.400 1.00 0.00 O ATOM 201 CB CYS A 16 4.119 0.864 9.634 1.00 0.00 C ATOM 202 SG CYS A 16 3.073 0.196 8.289 1.00 0.00 S ATOM 0 H CYS A 16 4.591 1.963 12.307 1.00 0.00 H new ATOM 0 HA CYS A 16 2.524 0.369 10.920 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.246 1.935 9.479 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.109 0.413 9.564 1.00 0.00 H new ATOM 206 N THR A 17 3.636 -1.057 12.762 1.00 0.00 N ATOM 207 CA THR A 17 4.208 -2.149 13.531 1.00 0.00 C ATOM 208 C THR A 17 3.351 -3.409 13.386 1.00 0.00 C ATOM 209 O THR A 17 3.065 -3.845 12.272 1.00 0.00 O ATOM 210 CB THR A 17 4.358 -1.680 14.979 1.00 0.00 C ATOM 211 OG1 THR A 17 4.770 -2.849 15.682 1.00 0.00 O ATOM 212 CG2 THR A 17 3.017 -1.313 15.618 1.00 0.00 C ATOM 0 H THR A 17 2.704 -0.769 13.059 1.00 0.00 H new ATOM 0 HA THR A 17 5.196 -2.420 13.158 1.00 0.00 H new ATOM 0 HB THR A 17 5.024 -0.818 15.014 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.893 -2.634 16.630 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.181 -0.987 16.645 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.552 -0.507 15.051 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.362 -2.184 15.614 1.00 0.00 H new ATOM 220 N LEU A 18 2.965 -3.957 14.529 1.00 0.00 N ATOM 221 CA LEU A 18 2.147 -5.158 14.544 1.00 0.00 C ATOM 222 C LEU A 18 1.100 -5.071 13.431 1.00 0.00 C ATOM 223 O LEU A 18 0.674 -6.092 12.894 1.00 0.00 O ATOM 224 CB LEU A 18 1.548 -5.382 15.934 1.00 0.00 C ATOM 225 CG LEU A 18 1.358 -6.840 16.357 1.00 0.00 C ATOM 226 CD1 LEU A 18 2.480 -7.289 17.295 1.00 0.00 C ATOM 227 CD2 LEU A 18 -0.026 -7.056 16.971 1.00 0.00 C ATOM 0 H LEU A 18 3.203 -3.592 15.451 1.00 0.00 H new ATOM 0 HA LEU A 18 2.758 -6.037 14.340 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.189 -4.893 16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.579 -4.884 15.975 1.00 0.00 H new ATOM 0 HG LEU A 18 1.415 -7.465 15.466 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.321 -8.329 17.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.439 -7.195 16.786 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.480 -6.663 18.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.135 -8.100 17.263 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.138 -6.420 17.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.793 -6.802 16.239 1.00 0.00 H new ATOM 238 N GLU A 19 0.717 -3.841 13.118 1.00 0.00 N ATOM 239 CA GLU A 19 -0.271 -3.607 12.080 1.00 0.00 C ATOM 240 C GLU A 19 0.272 -4.054 10.720 1.00 0.00 C ATOM 241 O GLU A 19 0.983 -3.303 10.055 1.00 0.00 O ATOM 242 CB GLU A 19 -0.693 -2.137 12.044 1.00 0.00 C ATOM 243 CG GLU A 19 -1.859 -1.879 13.000 1.00 0.00 C ATOM 244 CD GLU A 19 -1.373 -1.227 14.297 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.233 -1.469 14.721 1.00 0.00 O ATOM 246 OE2 GLU A 19 -2.224 -0.444 14.866 1.00 0.00 O ATOM 0 H GLU A 19 1.074 -2.997 13.566 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.157 -4.199 12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.152 -1.505 12.317 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.982 -1.862 11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.593 -1.234 12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.362 -2.819 13.228 1.00 0.00 H new ATOM 252 N TYR A 20 -0.086 -5.275 10.348 1.00 0.00 N ATOM 253 CA TYR A 20 0.357 -5.830 9.081 1.00 0.00 C ATOM 254 C TYR A 20 -0.829 -6.077 8.146 1.00 0.00 C ATOM 255 O TYR A 20 -1.739 -6.834 8.479 1.00 0.00 O ATOM 256 CB TYR A 20 1.015 -7.170 9.414 1.00 0.00 C ATOM 257 CG TYR A 20 0.615 -8.311 8.476 1.00 0.00 C ATOM 258 CD1 TYR A 20 1.114 -8.354 7.191 1.00 0.00 C ATOM 259 CD2 TYR A 20 -0.246 -9.296 8.916 1.00 0.00 C ATOM 260 CE1 TYR A 20 0.738 -9.429 6.308 1.00 0.00 C ATOM 261 CE2 TYR A 20 -0.623 -10.370 8.034 1.00 0.00 C ATOM 262 CZ TYR A 20 -0.112 -10.383 6.772 1.00 0.00 C ATOM 263 OH TYR A 20 -0.468 -11.397 5.939 1.00 0.00 O ATOM 0 H TYR A 20 -0.677 -5.895 10.902 1.00 0.00 H new ATOM 0 HA TYR A 20 1.038 -5.143 8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.098 -7.049 9.381 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.756 -7.446 10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.786 -7.582 6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.637 -9.261 9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.123 -9.476 5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.296 -11.147 8.366 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.079 -12.005 6.406 1.00 0.00 H new ATOM 272 N ARG A 21 -0.780 -5.423 6.995 1.00 0.00 N ATOM 273 CA ARG A 21 -1.840 -5.561 6.010 1.00 0.00 C ATOM 274 C ARG A 21 -1.246 -5.701 4.608 1.00 0.00 C ATOM 275 O ARG A 21 -0.725 -4.737 4.051 1.00 0.00 O ATOM 276 CB ARG A 21 -2.781 -4.355 6.039 1.00 0.00 C ATOM 277 CG ARG A 21 -3.459 -4.222 7.405 1.00 0.00 C ATOM 278 CD ARG A 21 -2.717 -3.216 8.289 1.00 0.00 C ATOM 279 NE ARG A 21 -3.233 -1.851 8.045 1.00 0.00 N ATOM 280 CZ ARG A 21 -4.334 -1.350 8.618 1.00 0.00 C ATOM 281 NH1 ARG A 21 -5.044 -2.098 9.474 1.00 0.00 N ATOM 282 NH2 ARG A 21 -4.727 -0.099 8.337 1.00 0.00 N ATOM 0 H ARG A 21 -0.023 -4.796 6.722 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.409 -6.457 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.221 -3.447 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.538 -4.461 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.493 -3.902 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.486 -5.194 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.844 -3.479 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.648 -3.253 8.078 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.717 -1.254 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.745 -3.049 9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.883 -1.716 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.187 0.471 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.566 0.282 8.774 1.00 0.00 H new ATOM 293 N PRO A 22 -1.346 -6.943 4.062 1.00 0.00 N ATOM 294 CA PRO A 22 -0.825 -7.222 2.735 1.00 0.00 C ATOM 295 C PRO A 22 -1.735 -6.636 1.654 1.00 0.00 C ATOM 296 O PRO A 22 -2.950 -6.570 1.829 1.00 0.00 O ATOM 297 CB PRO A 22 -0.719 -8.737 2.664 1.00 0.00 C ATOM 298 CG PRO A 22 -1.614 -9.270 3.770 1.00 0.00 C ATOM 299 CD PRO A 22 -1.957 -8.110 4.691 1.00 0.00 C ATOM 0 HA PRO A 22 0.146 -6.759 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.040 -9.106 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.312 -9.063 2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.521 -9.706 3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.107 -10.060 4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.036 -7.988 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.562 -8.271 5.694 1.00 0.00 H new ATOM 304 N LEU A 23 -1.111 -6.225 0.560 1.00 0.00 N ATOM 305 CA LEU A 23 -1.849 -5.646 -0.550 1.00 0.00 C ATOM 306 C LEU A 23 -1.014 -5.756 -1.827 1.00 0.00 C ATOM 307 O LEU A 23 0.188 -6.015 -1.766 1.00 0.00 O ATOM 308 CB LEU A 23 -2.280 -4.216 -0.219 1.00 0.00 C ATOM 309 CG LEU A 23 -1.150 -3.219 0.046 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.646 -1.778 -0.095 1.00 0.00 C ATOM 311 CD2 LEU A 23 -0.505 -3.471 1.409 1.00 0.00 C ATOM 0 H LEU A 23 -0.102 -6.281 0.418 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.771 -6.201 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.884 -3.839 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.925 -4.246 0.659 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.378 -3.370 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.823 -1.089 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.022 -1.620 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.447 -1.597 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.295 -2.749 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.256 -3.364 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.094 -4.480 1.436 1.00 0.00 H new ATOM 322 N CYS A 24 -1.682 -5.554 -2.953 1.00 0.00 N ATOM 323 CA CYS A 24 -1.014 -5.627 -4.242 1.00 0.00 C ATOM 324 C CYS A 24 -1.203 -4.288 -4.956 1.00 0.00 C ATOM 325 O CYS A 24 -2.226 -3.628 -4.787 1.00 0.00 O ATOM 326 CB CYS A 24 -1.530 -6.800 -5.079 1.00 0.00 C ATOM 327 SG CYS A 24 -1.186 -6.672 -6.872 1.00 0.00 S ATOM 0 H CYS A 24 -2.678 -5.340 -3.000 1.00 0.00 H new ATOM 0 HA CYS A 24 0.050 -5.811 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.084 -7.721 -4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.607 -6.885 -4.935 1.00 0.00 H new ATOM 331 N GLY A 25 -0.198 -3.927 -5.743 1.00 0.00 N ATOM 332 CA GLY A 25 -0.240 -2.678 -6.484 1.00 0.00 C ATOM 333 C GLY A 25 -0.533 -2.929 -7.965 1.00 0.00 C ATOM 334 O GLY A 25 -0.404 -4.055 -8.444 1.00 0.00 O ATOM 0 H GLY A 25 0.649 -4.478 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.006 -2.027 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.712 -2.158 -6.381 1.00 0.00 H new ATOM 338 N SER A 26 -0.920 -1.862 -8.647 1.00 0.00 N ATOM 339 CA SER A 26 -1.232 -1.953 -10.064 1.00 0.00 C ATOM 340 C SER A 26 0.012 -2.379 -10.847 1.00 0.00 C ATOM 341 O SER A 26 -0.093 -2.833 -11.986 1.00 0.00 O ATOM 342 CB SER A 26 -1.765 -0.622 -10.598 1.00 0.00 C ATOM 343 OG SER A 26 -1.553 -0.485 -12.000 1.00 0.00 O ATOM 0 H SER A 26 -1.025 -0.930 -8.246 1.00 0.00 H new ATOM 0 HA SER A 26 -2.011 -2.704 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.831 -0.546 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.276 0.200 -10.076 1.00 0.00 H new ATOM 0 HG SER A 26 -1.909 0.377 -12.302 1.00 0.00 H new ATOM 348 N ASP A 27 1.160 -2.216 -10.206 1.00 0.00 N ATOM 349 CA ASP A 27 2.423 -2.578 -10.828 1.00 0.00 C ATOM 350 C ASP A 27 2.733 -4.046 -10.526 1.00 0.00 C ATOM 351 O ASP A 27 3.705 -4.597 -11.041 1.00 0.00 O ATOM 352 CB ASP A 27 3.571 -1.729 -10.279 1.00 0.00 C ATOM 353 CG ASP A 27 3.707 -1.734 -8.756 1.00 0.00 C ATOM 354 OD1 ASP A 27 2.733 -1.974 -8.027 1.00 0.00 O ATOM 355 OD2 ASP A 27 4.891 -1.475 -8.313 1.00 0.00 O ATOM 0 H ASP A 27 1.242 -1.838 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 27 2.331 -2.409 -11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.506 -2.084 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.435 -0.701 -10.613 1.00 0.00 H new ATOM 360 N ASN A 28 1.889 -4.636 -9.693 1.00 0.00 N ATOM 361 CA ASN A 28 2.061 -6.029 -9.316 1.00 0.00 C ATOM 362 C ASN A 28 3.081 -6.123 -8.179 1.00 0.00 C ATOM 363 O ASN A 28 3.877 -7.059 -8.130 1.00 0.00 O ATOM 364 CB ASN A 28 2.586 -6.856 -10.491 1.00 0.00 C ATOM 365 CG ASN A 28 2.114 -8.309 -10.394 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.579 -9.087 -9.577 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.165 -8.628 -11.269 1.00 0.00 N ATOM 0 H ASN A 28 1.084 -4.175 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 28 1.091 -6.417 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.242 -6.420 -11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.675 -6.824 -10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.781 -9.573 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.821 -7.928 -11.926 1.00 0.00 H new ATOM 373 N LYS A 29 3.023 -5.140 -7.293 1.00 0.00 N ATOM 374 CA LYS A 29 3.931 -5.099 -6.159 1.00 0.00 C ATOM 375 C LYS A 29 3.227 -5.671 -4.927 1.00 0.00 C ATOM 376 O LYS A 29 2.093 -5.301 -4.628 1.00 0.00 O ATOM 377 CB LYS A 29 4.473 -3.683 -5.957 1.00 0.00 C ATOM 378 CG LYS A 29 5.836 -3.516 -6.634 1.00 0.00 C ATOM 379 CD LYS A 29 6.532 -2.240 -6.155 1.00 0.00 C ATOM 380 CE LYS A 29 7.788 -1.959 -6.981 1.00 0.00 C ATOM 381 NZ LYS A 29 8.335 -0.623 -6.654 1.00 0.00 N ATOM 0 H LYS A 29 2.361 -4.365 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 29 4.804 -5.725 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.769 -2.958 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.564 -3.473 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.463 -4.381 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.707 -3.480 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.846 -1.396 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.799 -2.340 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.539 -2.724 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.551 -2.011 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.187 -0.448 -7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.623 0.105 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.580 -0.586 -5.644 1.00 0.00 H new ATOM 391 N THR A 30 3.930 -6.562 -4.244 1.00 0.00 N ATOM 392 CA THR A 30 3.386 -7.189 -3.051 1.00 0.00 C ATOM 393 C THR A 30 3.866 -6.453 -1.797 1.00 0.00 C ATOM 394 O THR A 30 5.035 -6.547 -1.427 1.00 0.00 O ATOM 395 CB THR A 30 3.776 -8.668 -3.073 1.00 0.00 C ATOM 396 OG1 THR A 30 2.833 -9.261 -3.962 1.00 0.00 O ATOM 397 CG2 THR A 30 3.515 -9.362 -1.735 1.00 0.00 C ATOM 0 H THR A 30 4.871 -6.865 -4.494 1.00 0.00 H new ATOM 0 HA THR A 30 2.298 -7.126 -3.032 1.00 0.00 H new ATOM 0 HB THR A 30 4.831 -8.762 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.013 -10.221 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.809 -10.409 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.096 -8.874 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.454 -9.298 -1.493 1.00 0.00 H new ATOM 405 N TYR A 31 2.938 -5.737 -1.179 1.00 0.00 N ATOM 406 CA TYR A 31 3.252 -4.986 0.025 1.00 0.00 C ATOM 407 C TYR A 31 2.746 -5.713 1.273 1.00 0.00 C ATOM 408 O TYR A 31 1.821 -6.521 1.193 1.00 0.00 O ATOM 409 CB TYR A 31 2.515 -3.652 -0.106 1.00 0.00 C ATOM 410 CG TYR A 31 2.727 -2.953 -1.451 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.780 -2.078 -1.615 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.864 -3.200 -2.500 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.981 -1.421 -2.881 1.00 0.00 C ATOM 414 CE2 TYR A 31 2.064 -2.542 -3.765 1.00 0.00 C ATOM 415 CZ TYR A 31 3.112 -1.686 -3.893 1.00 0.00 C ATOM 416 OH TYR A 31 3.301 -1.065 -5.089 1.00 0.00 O ATOM 0 H TYR A 31 1.969 -5.661 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 31 4.330 -4.861 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.448 -3.822 0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.843 -2.987 0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.454 -1.885 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.040 -3.886 -2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.802 -0.734 -3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.396 -2.725 -4.594 1.00 0.00 H new ATOM 0 HH TYR A 31 4.212 -0.705 -5.130 1.00 0.00 H new ATOM 425 N GLY A 32 3.375 -5.402 2.397 1.00 0.00 N ATOM 426 CA GLY A 32 3.000 -6.016 3.659 1.00 0.00 C ATOM 427 C GLY A 32 2.113 -5.080 4.482 1.00 0.00 C ATOM 428 O GLY A 32 1.288 -5.536 5.272 1.00 0.00 O ATOM 0 H GLY A 32 4.142 -4.733 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.472 -6.951 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.896 -6.266 4.227 1.00 0.00 H new ATOM 432 N ASN A 33 2.315 -3.788 4.270 1.00 0.00 N ATOM 433 CA ASN A 33 1.544 -2.783 4.982 1.00 0.00 C ATOM 434 C ASN A 33 1.225 -1.624 4.036 1.00 0.00 C ATOM 435 O ASN A 33 1.916 -1.427 3.037 1.00 0.00 O ATOM 436 CB ASN A 33 2.334 -2.222 6.168 1.00 0.00 C ATOM 437 CG ASN A 33 2.941 -3.349 7.005 1.00 0.00 C ATOM 438 OD1 ASN A 33 2.437 -4.459 7.057 1.00 0.00 O ATOM 439 ND2 ASN A 33 4.049 -3.003 7.655 1.00 0.00 N ATOM 0 H ASN A 33 3.002 -3.414 3.615 1.00 0.00 H new ATOM 0 HA ASN A 33 0.631 -3.254 5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.126 -1.567 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.678 -1.614 6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.530 -3.685 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.417 -2.056 7.567 1.00 0.00 H new ATOM 445 N LYS A 34 0.179 -0.889 4.383 1.00 0.00 N ATOM 446 CA LYS A 34 -0.239 0.245 3.576 1.00 0.00 C ATOM 447 C LYS A 34 0.862 1.308 3.587 1.00 0.00 C ATOM 448 O LYS A 34 0.990 2.084 2.642 1.00 0.00 O ATOM 449 CB LYS A 34 -1.599 0.764 4.047 1.00 0.00 C ATOM 450 CG LYS A 34 -2.646 -0.353 4.037 1.00 0.00 C ATOM 451 CD LYS A 34 -3.324 -0.457 2.669 1.00 0.00 C ATOM 452 CE LYS A 34 -3.941 -1.842 2.468 1.00 0.00 C ATOM 453 NZ LYS A 34 -5.023 -1.786 1.458 1.00 0.00 N ATOM 0 H LYS A 34 -0.392 -1.056 5.212 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.380 -0.057 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.508 1.173 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.925 1.579 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.172 -1.303 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.396 -0.161 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.098 0.306 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.596 -0.262 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.173 -2.546 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.337 -2.211 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.899 -2.171 1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.179 -0.799 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.752 -2.349 0.627 1.00 0.00 H new ATOM 463 N CYS A 35 1.629 1.308 4.668 1.00 0.00 N ATOM 464 CA CYS A 35 2.715 2.262 4.815 1.00 0.00 C ATOM 465 C CYS A 35 3.764 1.965 3.741 1.00 0.00 C ATOM 466 O CYS A 35 4.247 2.876 3.071 1.00 0.00 O ATOM 467 CB CYS A 35 3.312 2.228 6.223 1.00 0.00 C ATOM 468 SG CYS A 35 2.104 1.912 7.561 1.00 0.00 S ATOM 0 H CYS A 35 1.520 0.662 5.450 1.00 0.00 H new ATOM 0 HA CYS A 35 2.334 3.274 4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.081 1.457 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.806 3.180 6.416 1.00 0.00 H new ATOM 472 N ASN A 36 4.086 0.685 3.613 1.00 0.00 N ATOM 473 CA ASN A 36 5.069 0.256 2.634 1.00 0.00 C ATOM 474 C ASN A 36 4.554 0.573 1.228 1.00 0.00 C ATOM 475 O ASN A 36 5.328 0.944 0.347 1.00 0.00 O ATOM 476 CB ASN A 36 5.311 -1.251 2.720 1.00 0.00 C ATOM 477 CG ASN A 36 6.511 -1.563 3.617 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.835 -0.835 4.539 1.00 0.00 O ATOM 479 ND2 ASN A 36 7.150 -2.685 3.294 1.00 0.00 N ATOM 0 H ASN A 36 3.683 -0.068 4.171 1.00 0.00 H new ATOM 0 HA ASN A 36 6.001 0.783 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.421 -1.744 3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.484 -1.653 1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.965 -2.981 3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.825 -3.249 2.509 1.00 0.00 H new ATOM 485 N PHE A 37 3.249 0.413 1.060 1.00 0.00 N ATOM 486 CA PHE A 37 2.621 0.676 -0.223 1.00 0.00 C ATOM 487 C PHE A 37 2.707 2.161 -0.581 1.00 0.00 C ATOM 488 O PHE A 37 3.129 2.514 -1.682 1.00 0.00 O ATOM 489 CB PHE A 37 1.149 0.280 -0.090 1.00 0.00 C ATOM 490 CG PHE A 37 0.321 0.532 -1.352 1.00 0.00 C ATOM 491 CD1 PHE A 37 -0.097 1.792 -1.652 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.003 -0.503 -2.175 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.865 2.024 -2.823 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.765 -0.270 -3.346 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.183 0.989 -3.645 1.00 0.00 C ATOM 0 H PHE A 37 2.609 0.104 1.792 1.00 0.00 H new ATOM 0 HA PHE A 37 3.125 0.111 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.090 -0.778 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.708 0.834 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.155 2.615 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.335 -1.503 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.197 3.024 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.017 -1.092 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.768 1.167 -4.536 1.00 0.00 H new ATOM 504 N CYS A 38 2.302 2.991 0.369 1.00 0.00 N ATOM 505 CA CYS A 38 2.328 4.429 0.168 1.00 0.00 C ATOM 506 C CYS A 38 3.784 4.862 -0.013 1.00 0.00 C ATOM 507 O CYS A 38 4.062 5.852 -0.690 1.00 0.00 O ATOM 508 CB CYS A 38 1.649 5.175 1.319 1.00 0.00 C ATOM 509 SG CYS A 38 -0.088 4.690 1.628 1.00 0.00 S ATOM 0 H CYS A 38 1.954 2.694 1.281 1.00 0.00 H new ATOM 0 HA CYS A 38 1.760 4.684 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.225 5.011 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.681 6.244 1.110 1.00 0.00 H new ATOM 513 N ASN A 39 4.676 4.102 0.605 1.00 0.00 N ATOM 514 CA ASN A 39 6.097 4.395 0.522 1.00 0.00 C ATOM 515 C ASN A 39 6.552 4.273 -0.934 1.00 0.00 C ATOM 516 O ASN A 39 7.287 5.126 -1.431 1.00 0.00 O ATOM 517 CB ASN A 39 6.912 3.407 1.358 1.00 0.00 C ATOM 518 CG ASN A 39 8.375 3.846 1.453 1.00 0.00 C ATOM 519 OD1 ASN A 39 8.707 4.864 2.039 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.228 3.026 0.846 1.00 0.00 N ATOM 0 H ASN A 39 4.442 3.283 1.166 1.00 0.00 H new ATOM 0 HA ASN A 39 6.258 5.404 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.485 3.333 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.855 2.414 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.227 3.233 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.883 2.190 0.374 1.00 0.00 H new ATOM 526 N ALA A 40 6.099 3.206 -1.575 1.00 0.00 N ATOM 527 CA ALA A 40 6.452 2.961 -2.964 1.00 0.00 C ATOM 528 C ALA A 40 5.698 3.947 -3.858 1.00 0.00 C ATOM 529 O ALA A 40 6.260 4.480 -4.813 1.00 0.00 O ATOM 530 CB ALA A 40 6.151 1.504 -3.318 1.00 0.00 C ATOM 0 H ALA A 40 5.491 2.501 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 40 7.518 3.121 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.416 1.320 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.734 0.845 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.089 1.306 -3.173 1.00 0.00 H new ATOM 536 N VAL A 41 4.436 4.159 -3.517 1.00 0.00 N ATOM 537 CA VAL A 41 3.598 5.072 -4.277 1.00 0.00 C ATOM 538 C VAL A 41 4.270 6.445 -4.336 1.00 0.00 C ATOM 539 O VAL A 41 4.318 7.071 -5.393 1.00 0.00 O ATOM 540 CB VAL A 41 2.193 5.119 -3.673 1.00 0.00 C ATOM 541 CG1 VAL A 41 1.476 6.415 -4.054 1.00 0.00 C ATOM 542 CG2 VAL A 41 1.374 3.896 -4.093 1.00 0.00 C ATOM 0 H VAL A 41 3.973 3.714 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 41 3.484 4.722 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 41 2.294 5.098 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.480 6.423 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.044 7.268 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.392 6.479 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.380 3.954 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.287 3.872 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.872 2.989 -3.749 1.00 0.00 H new ATOM 552 N VAL A 42 4.772 6.872 -3.186 1.00 0.00 N ATOM 553 CA VAL A 42 5.439 8.160 -3.094 1.00 0.00 C ATOM 554 C VAL A 42 6.640 8.176 -4.040 1.00 0.00 C ATOM 555 O VAL A 42 6.920 9.191 -4.677 1.00 0.00 O ATOM 556 CB VAL A 42 5.819 8.449 -1.641 1.00 0.00 C ATOM 557 CG1 VAL A 42 7.323 8.274 -1.422 1.00 0.00 C ATOM 558 CG2 VAL A 42 5.363 9.848 -1.222 1.00 0.00 C ATOM 0 H VAL A 42 4.730 6.349 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 42 4.769 8.961 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 42 5.302 7.726 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.566 8.486 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.609 7.249 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.867 8.962 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.646 10.027 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.838 10.592 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.280 9.923 -1.321 1.00 0.00 H new ATOM 568 N GLU A 43 7.318 7.040 -4.104 1.00 0.00 N ATOM 569 CA GLU A 43 8.484 6.911 -4.963 1.00 0.00 C ATOM 570 C GLU A 43 8.053 6.760 -6.423 1.00 0.00 C ATOM 571 O GLU A 43 8.841 7.005 -7.335 1.00 0.00 O ATOM 572 CB GLU A 43 9.360 5.735 -4.525 1.00 0.00 C ATOM 573 CG GLU A 43 10.560 5.569 -5.460 1.00 0.00 C ATOM 574 CD GLU A 43 11.360 4.313 -5.106 1.00 0.00 C ATOM 575 OE1 GLU A 43 10.813 3.381 -4.499 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.593 4.327 -5.485 1.00 0.00 O ATOM 0 H GLU A 43 7.083 6.200 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 43 9.080 7.819 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.709 5.896 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.769 4.819 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.216 5.506 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.204 6.446 -5.391 1.00 0.00 H new ATOM 582 N SER A 44 6.803 6.356 -6.599 1.00 0.00 N ATOM 583 CA SER A 44 6.258 6.168 -7.933 1.00 0.00 C ATOM 584 C SER A 44 5.677 7.486 -8.450 1.00 0.00 C ATOM 585 O SER A 44 4.947 7.500 -9.440 1.00 0.00 O ATOM 586 CB SER A 44 5.187 5.077 -7.942 1.00 0.00 C ATOM 587 OG SER A 44 5.260 4.267 -9.114 1.00 0.00 O ATOM 0 H SER A 44 6.152 6.154 -5.840 1.00 0.00 H new ATOM 0 HA SER A 44 7.067 5.850 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.302 4.448 -7.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.201 5.537 -7.880 1.00 0.00 H new ATOM 0 HG SER A 44 5.262 3.321 -8.858 1.00 0.00 H new ATOM 592 N ASN A 45 6.023 8.561 -7.757 1.00 0.00 N ATOM 593 CA ASN A 45 5.545 9.881 -8.134 1.00 0.00 C ATOM 594 C ASN A 45 4.054 9.990 -7.808 1.00 0.00 C ATOM 595 O ASN A 45 3.412 10.983 -8.147 1.00 0.00 O ATOM 596 CB ASN A 45 5.719 10.121 -9.635 1.00 0.00 C ATOM 597 CG ASN A 45 6.645 11.311 -9.895 1.00 0.00 C ATOM 598 OD1 ASN A 45 6.331 12.452 -9.597 1.00 0.00 O ATOM 599 ND2 ASN A 45 7.800 10.983 -10.467 1.00 0.00 N ATOM 0 H ASN A 45 6.629 8.545 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 45 6.124 10.621 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.129 9.227 -10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.747 10.305 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.486 11.706 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.000 10.008 -10.690 1.00 0.00 H new ATOM 605 N GLY A 46 3.546 8.956 -7.155 1.00 0.00 N ATOM 606 CA GLY A 46 2.143 8.923 -6.779 1.00 0.00 C ATOM 607 C GLY A 46 1.290 8.315 -7.895 1.00 0.00 C ATOM 608 O GLY A 46 0.069 8.456 -7.894 1.00 0.00 O ATOM 0 H GLY A 46 4.081 8.134 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.021 8.341 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.797 9.934 -6.562 1.00 0.00 H new ATOM 612 N THR A 47 1.969 7.650 -8.819 1.00 0.00 N ATOM 613 CA THR A 47 1.289 7.020 -9.937 1.00 0.00 C ATOM 614 C THR A 47 0.787 5.630 -9.541 1.00 0.00 C ATOM 615 O THR A 47 -0.403 5.340 -9.656 1.00 0.00 O ATOM 616 CB THR A 47 2.252 7.002 -11.127 1.00 0.00 C ATOM 617 OG1 THR A 47 2.196 8.331 -11.639 1.00 0.00 O ATOM 618 CG2 THR A 47 1.741 6.137 -12.280 1.00 0.00 C ATOM 0 H THR A 47 2.982 7.534 -8.816 1.00 0.00 H new ATOM 0 HA THR A 47 0.401 7.582 -10.227 1.00 0.00 H new ATOM 0 HB THR A 47 3.225 6.635 -10.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.793 8.409 -12.412 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.461 6.159 -13.098 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.613 5.111 -11.936 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.784 6.524 -12.629 1.00 0.00 H new ATOM 626 N LEU A 48 1.719 4.808 -9.084 1.00 0.00 N ATOM 627 CA LEU A 48 1.385 3.455 -8.670 1.00 0.00 C ATOM 628 C LEU A 48 0.051 3.469 -7.921 1.00 0.00 C ATOM 629 O LEU A 48 -0.185 4.340 -7.086 1.00 0.00 O ATOM 630 CB LEU A 48 2.535 2.841 -7.868 1.00 0.00 C ATOM 631 CG LEU A 48 2.142 1.782 -6.837 1.00 0.00 C ATOM 632 CD1 LEU A 48 1.701 0.487 -7.521 1.00 0.00 C ATOM 633 CD2 LEU A 48 3.274 1.544 -5.836 1.00 0.00 C ATOM 0 H LEU A 48 2.705 5.052 -8.991 1.00 0.00 H new ATOM 0 HA LEU A 48 1.255 2.812 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.242 2.394 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.062 3.644 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 48 1.287 2.156 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.427 -0.249 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.841 0.688 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.520 0.098 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.968 0.787 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.163 1.202 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.499 2.474 -5.313 1.00 0.00 H new ATOM 644 N THR A 49 -0.784 2.495 -8.248 1.00 0.00 N ATOM 645 CA THR A 49 -2.088 2.384 -7.617 1.00 0.00 C ATOM 646 C THR A 49 -2.220 1.040 -6.896 1.00 0.00 C ATOM 647 O THR A 49 -1.297 0.228 -6.918 1.00 0.00 O ATOM 648 CB THR A 49 -3.154 2.605 -8.691 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.247 1.346 -9.352 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.692 3.568 -9.786 1.00 0.00 C ATOM 0 H THR A 49 -0.583 1.775 -8.942 1.00 0.00 H new ATOM 0 HA THR A 49 -2.220 3.144 -6.847 1.00 0.00 H new ATOM 0 HB THR A 49 -4.061 2.992 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.918 1.399 -10.064 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.486 3.689 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.456 4.536 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.804 3.166 -10.273 1.00 0.00 H new ATOM 658 N LEU A 50 -3.375 0.849 -6.276 1.00 0.00 N ATOM 659 CA LEU A 50 -3.640 -0.382 -5.551 1.00 0.00 C ATOM 660 C LEU A 50 -4.489 -1.309 -6.422 1.00 0.00 C ATOM 661 O LEU A 50 -5.633 -0.990 -6.742 1.00 0.00 O ATOM 662 CB LEU A 50 -4.263 -0.077 -4.187 1.00 0.00 C ATOM 663 CG LEU A 50 -4.781 -1.284 -3.402 1.00 0.00 C ATOM 664 CD1 LEU A 50 -3.643 -1.979 -2.652 1.00 0.00 C ATOM 665 CD2 LEU A 50 -5.922 -0.880 -2.466 1.00 0.00 C ATOM 0 H LEU A 50 -4.138 1.526 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.709 -0.908 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.520 0.437 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.090 0.618 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.187 -2.005 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.038 -2.833 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.893 -2.322 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.186 -1.278 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.272 -1.756 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.565 -0.131 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.743 -0.465 -3.051 1.00 0.00 H new ATOM 676 N SER A 51 -3.897 -2.439 -6.780 1.00 0.00 N ATOM 677 CA SER A 51 -4.586 -3.414 -7.608 1.00 0.00 C ATOM 678 C SER A 51 -5.694 -4.095 -6.802 1.00 0.00 C ATOM 679 O SER A 51 -6.823 -4.220 -7.275 1.00 0.00 O ATOM 680 CB SER A 51 -3.610 -4.460 -8.155 1.00 0.00 C ATOM 681 OG SER A 51 -3.774 -4.660 -9.556 1.00 0.00 O ATOM 0 H SER A 51 -2.948 -2.701 -6.512 1.00 0.00 H new ATOM 0 HA SER A 51 -5.030 -2.891 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.587 -4.143 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.761 -5.405 -7.633 1.00 0.00 H new ATOM 0 HG SER A 51 -3.133 -5.333 -9.868 1.00 0.00 H new ATOM 686 N HIS A 52 -5.334 -4.518 -5.600 1.00 0.00 N ATOM 687 CA HIS A 52 -6.285 -5.183 -4.724 1.00 0.00 C ATOM 688 C HIS A 52 -5.661 -5.373 -3.340 1.00 0.00 C ATOM 689 O HIS A 52 -4.486 -5.070 -3.137 1.00 0.00 O ATOM 690 CB HIS A 52 -6.767 -6.495 -5.343 1.00 0.00 C ATOM 691 CG HIS A 52 -5.663 -7.491 -5.608 1.00 0.00 C ATOM 692 ND1 HIS A 52 -5.285 -8.455 -4.690 1.00 0.00 N ATOM 693 CD2 HIS A 52 -4.860 -7.662 -6.698 1.00 0.00 C ATOM 694 CE1 HIS A 52 -4.299 -9.168 -5.213 1.00 0.00 C ATOM 695 NE2 HIS A 52 -4.035 -8.675 -6.457 1.00 0.00 N ATOM 0 H HIS A 52 -4.397 -4.414 -5.211 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.171 -4.560 -4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.501 -6.950 -4.678 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.278 -6.276 -6.281 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -5.696 -8.593 -3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.890 -7.074 -7.603 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.793 -9.995 -4.738 1.00 0.00 H new ATOM 703 N PHE A 53 -6.476 -5.872 -2.422 1.00 0.00 N ATOM 704 CA PHE A 53 -6.020 -6.106 -1.063 1.00 0.00 C ATOM 705 C PHE A 53 -5.357 -7.479 -0.936 1.00 0.00 C ATOM 706 O PHE A 53 -5.353 -8.261 -1.886 1.00 0.00 O ATOM 707 CB PHE A 53 -7.255 -6.064 -0.163 1.00 0.00 C ATOM 708 CG PHE A 53 -7.525 -4.693 0.460 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.737 -3.613 -0.338 1.00 0.00 C ATOM 710 CD2 PHE A 53 -7.555 -4.555 1.814 1.00 0.00 C ATOM 711 CE1 PHE A 53 -7.986 -2.340 0.240 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.805 -3.283 2.392 1.00 0.00 C ATOM 713 CZ PHE A 53 -8.016 -2.202 1.593 1.00 0.00 C ATOM 0 H PHE A 53 -7.450 -6.121 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.286 -5.351 -0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.126 -6.365 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.136 -6.797 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.716 -3.723 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.389 -5.413 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.151 -1.482 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.828 -3.173 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.207 -1.234 2.033 1.00 0.00 H new ATOM 722 N GLY A 54 -4.811 -7.730 0.245 1.00 0.00 N ATOM 723 CA GLY A 54 -4.147 -8.995 0.508 1.00 0.00 C ATOM 724 C GLY A 54 -3.061 -9.272 -0.534 1.00 0.00 C ATOM 725 O GLY A 54 -2.969 -8.571 -1.541 1.00 0.00 O ATOM 0 H GLY A 54 -4.815 -7.079 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.704 -8.977 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.879 -9.803 0.499 1.00 0.00 H new ATOM 729 N LYS A 55 -2.267 -10.296 -0.257 1.00 0.00 N ATOM 730 CA LYS A 55 -1.191 -10.674 -1.158 1.00 0.00 C ATOM 731 C LYS A 55 -1.688 -10.587 -2.603 1.00 0.00 C ATOM 732 O LYS A 55 -2.883 -10.719 -2.861 1.00 0.00 O ATOM 733 CB LYS A 55 -0.636 -12.048 -0.781 1.00 0.00 C ATOM 734 CG LYS A 55 -1.705 -13.133 -0.930 1.00 0.00 C ATOM 735 CD LYS A 55 -1.335 -14.381 -0.125 1.00 0.00 C ATOM 736 CE LYS A 55 -2.447 -14.745 0.862 1.00 0.00 C ATOM 737 NZ LYS A 55 -1.870 -15.276 2.117 1.00 0.00 N ATOM 0 H LYS A 55 -2.347 -10.876 0.578 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.355 -9.981 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.218 -12.285 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.274 -12.028 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.667 -12.749 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.819 -13.395 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.157 -15.216 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.405 -14.207 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.053 -13.865 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.109 -15.487 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.637 -15.518 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.310 -16.128 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.257 -14.556 2.549 1.00 0.00 H new ATOM 747 N CYS A 56 -0.746 -10.364 -3.506 1.00 0.00 N ATOM 748 CA CYS A 56 -1.072 -10.258 -4.918 1.00 0.00 C ATOM 749 C CYS A 56 -1.542 -11.629 -5.407 1.00 0.00 C ATOM 750 O CYS A 56 -2.402 -12.252 -4.786 1.00 0.00 O ATOM 751 CB CYS A 56 0.113 -9.737 -5.735 1.00 0.00 C ATOM 752 SG CYS A 56 -0.334 -8.579 -7.080 1.00 0.00 S ATOM 0 H CYS A 56 0.244 -10.254 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.872 -9.530 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.810 -9.238 -5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.641 -10.587 -6.167 1.00 0.00 H new TER 756 CYS A 56