USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 7 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.84! C(o=-1.8!,f=-6.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= 0.377 (180deg=0.00231) USER MOD Single : A 26 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.24) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0292) USER MOD Single : A 39 SER OG : rot 170:sc= -4.34! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.545! C(o=-0.54!,f=-8.2!) USER MOD Single : A 58 THR OG1 : rot -150:sc= -1.96! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -105:sc= 0.0216 USER MOD Single : A 67 ASN : amide:sc= -0.49 K(o=-0.49,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -17.088 -6.295 0.236 1.00 0.00 N ATOM 31 CA GLU A 3 -17.678 -5.333 -0.735 1.00 0.00 C ATOM 32 C GLU A 3 -17.231 -3.915 -0.380 1.00 0.00 C ATOM 33 O GLU A 3 -17.891 -2.947 -0.703 1.00 0.00 O ATOM 34 CB GLU A 3 -19.205 -5.417 -0.676 1.00 0.00 C ATOM 35 CG GLU A 3 -19.774 -5.346 -2.094 1.00 0.00 C ATOM 36 CD GLU A 3 -21.277 -5.070 -2.029 1.00 0.00 C ATOM 37 OE1 GLU A 3 -21.810 -5.053 -0.931 1.00 0.00 O ATOM 38 OE2 GLU A 3 -21.871 -4.878 -3.078 1.00 0.00 O ATOM 0 HA GLU A 3 -17.341 -5.580 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.511 -6.347 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.602 -4.601 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.273 -4.560 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.588 -6.283 -2.619 1.00 0.00 H new ATOM 45 N CYS A 4 -16.116 -3.782 0.285 1.00 0.00 N ATOM 46 CA CYS A 4 -15.634 -2.424 0.659 1.00 0.00 C ATOM 47 C CYS A 4 -14.162 -2.269 0.269 1.00 0.00 C ATOM 48 O CYS A 4 -13.279 -2.793 0.919 1.00 0.00 O ATOM 49 CB CYS A 4 -15.779 -2.225 2.170 1.00 0.00 C ATOM 50 SG CYS A 4 -17.319 -1.342 2.524 1.00 0.00 S ATOM 0 H CYS A 4 -15.520 -4.554 0.585 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.229 -1.678 0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.778 -3.191 2.675 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.929 -1.662 2.556 1.00 0.00 H new ATOM 55 N ASP A 5 -13.887 -1.546 -0.783 1.00 0.00 N ATOM 56 CA ASP A 5 -12.470 -1.354 -1.202 1.00 0.00 C ATOM 57 C ASP A 5 -11.885 -0.149 -0.461 1.00 0.00 C ATOM 58 O ASP A 5 -10.785 0.288 -0.736 1.00 0.00 O ATOM 59 CB ASP A 5 -12.405 -1.111 -2.711 1.00 0.00 C ATOM 60 CG ASP A 5 -11.566 -2.206 -3.371 1.00 0.00 C ATOM 61 OD1 ASP A 5 -12.088 -3.293 -3.559 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.415 -1.941 -3.677 1.00 0.00 O ATOM 0 H ASP A 5 -14.581 -1.081 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.894 -2.248 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.410 -1.105 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.969 -0.133 -2.914 1.00 0.00 H new ATOM 67 N CYS A 6 -12.615 0.391 0.479 1.00 0.00 N ATOM 68 CA CYS A 6 -12.106 1.566 1.241 1.00 0.00 C ATOM 69 C CYS A 6 -12.746 1.578 2.632 1.00 0.00 C ATOM 70 O CYS A 6 -13.827 1.060 2.832 1.00 0.00 O ATOM 71 CB CYS A 6 -12.463 2.855 0.499 1.00 0.00 C ATOM 72 SG CYS A 6 -14.263 3.017 0.395 1.00 0.00 S ATOM 0 H CYS A 6 -13.543 0.068 0.751 1.00 0.00 H new ATOM 0 HA CYS A 6 -11.022 1.498 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -12.040 3.715 1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.030 2.842 -0.501 1.00 0.00 H new ATOM 77 N SER A 7 -12.087 2.159 3.596 1.00 0.00 N ATOM 78 CA SER A 7 -12.660 2.195 4.973 1.00 0.00 C ATOM 79 C SER A 7 -13.475 3.477 5.159 1.00 0.00 C ATOM 80 O SER A 7 -14.374 3.538 5.976 1.00 0.00 O ATOM 81 CB SER A 7 -11.526 2.158 5.997 1.00 0.00 C ATOM 82 OG SER A 7 -10.498 3.053 5.592 1.00 0.00 O ATOM 0 H SER A 7 -11.178 2.610 3.491 1.00 0.00 H new ATOM 0 HA SER A 7 -13.309 1.331 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.900 2.438 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.130 1.146 6.082 1.00 0.00 H new ATOM 0 HG SER A 7 -9.770 3.033 6.248 1.00 0.00 H new ATOM 88 N SER A 8 -13.170 4.503 4.413 1.00 0.00 N ATOM 89 CA SER A 8 -13.928 5.778 4.555 1.00 0.00 C ATOM 90 C SER A 8 -15.087 5.801 3.547 1.00 0.00 C ATOM 91 O SER A 8 -14.872 5.644 2.362 1.00 0.00 O ATOM 92 CB SER A 8 -12.996 6.957 4.277 1.00 0.00 C ATOM 93 OG SER A 8 -11.779 6.772 4.989 1.00 0.00 O ATOM 0 H SER A 8 -12.429 4.514 3.712 1.00 0.00 H new ATOM 0 HA SER A 8 -14.323 5.853 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.797 7.034 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.470 7.890 4.581 1.00 0.00 H new ATOM 0 HG SER A 8 -11.178 7.526 4.811 1.00 0.00 H new ATOM 99 N PRO A 9 -16.284 6.003 4.045 1.00 0.00 N ATOM 100 CA PRO A 9 -17.490 6.061 3.202 1.00 0.00 C ATOM 101 C PRO A 9 -17.580 7.421 2.504 1.00 0.00 C ATOM 102 O PRO A 9 -18.451 7.659 1.692 1.00 0.00 O ATOM 103 CB PRO A 9 -18.637 5.873 4.199 1.00 0.00 C ATOM 104 CG PRO A 9 -18.080 6.283 5.584 1.00 0.00 C ATOM 105 CD PRO A 9 -16.547 6.196 5.485 1.00 0.00 C ATOM 0 HA PRO A 9 -17.502 5.312 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.494 6.489 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.979 4.838 4.208 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.395 7.294 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.456 5.621 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.072 7.104 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.157 5.367 6.075 1.00 0.00 H new ATOM 113 N GLU A 10 -16.680 8.313 2.815 1.00 0.00 N ATOM 114 CA GLU A 10 -16.703 9.655 2.170 1.00 0.00 C ATOM 115 C GLU A 10 -15.635 9.707 1.073 1.00 0.00 C ATOM 116 O GLU A 10 -15.441 10.720 0.430 1.00 0.00 O ATOM 117 CB GLU A 10 -16.412 10.731 3.220 1.00 0.00 C ATOM 118 CG GLU A 10 -16.983 12.071 2.751 1.00 0.00 C ATOM 119 CD GLU A 10 -16.111 13.211 3.281 1.00 0.00 C ATOM 120 OE1 GLU A 10 -14.996 12.936 3.693 1.00 0.00 O ATOM 121 OE2 GLU A 10 -16.572 14.341 3.266 1.00 0.00 O ATOM 0 H GLU A 10 -15.928 8.169 3.489 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.685 9.834 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.854 10.450 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.337 10.818 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.018 12.102 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.007 12.187 3.107 1.00 0.00 H new ATOM 128 N ASN A 11 -14.942 8.621 0.855 1.00 0.00 N ATOM 129 CA ASN A 11 -13.888 8.605 -0.198 1.00 0.00 C ATOM 130 C ASN A 11 -14.553 8.578 -1.580 1.00 0.00 C ATOM 131 O ASN A 11 -15.473 7.817 -1.803 1.00 0.00 O ATOM 132 CB ASN A 11 -13.024 7.353 -0.024 1.00 0.00 C ATOM 133 CG ASN A 11 -11.636 7.598 -0.618 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.494 7.766 -1.813 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.596 7.625 0.171 1.00 0.00 N ATOM 0 H ASN A 11 -15.061 7.744 1.362 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.265 9.495 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.939 7.102 1.033 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.496 6.502 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.666 7.787 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.713 7.484 1.174 1.00 0.00 H new ATOM 142 N PRO A 12 -14.070 9.411 -2.469 1.00 0.00 N ATOM 143 CA PRO A 12 -14.605 9.503 -3.839 1.00 0.00 C ATOM 144 C PRO A 12 -14.081 8.350 -4.702 1.00 0.00 C ATOM 145 O PRO A 12 -14.775 7.840 -5.559 1.00 0.00 O ATOM 146 CB PRO A 12 -14.071 10.848 -4.342 1.00 0.00 C ATOM 147 CG PRO A 12 -12.828 11.174 -3.481 1.00 0.00 C ATOM 148 CD PRO A 12 -12.950 10.336 -2.195 1.00 0.00 C ATOM 0 HA PRO A 12 -15.692 9.438 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.808 10.791 -5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.827 11.627 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.911 10.930 -4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.787 12.238 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.028 9.794 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.155 10.964 -1.328 1.00 0.00 H new ATOM 156 N CYS A 13 -12.862 7.939 -4.485 1.00 0.00 N ATOM 157 CA CYS A 13 -12.297 6.826 -5.296 1.00 0.00 C ATOM 158 C CYS A 13 -13.194 5.591 -5.185 1.00 0.00 C ATOM 159 O CYS A 13 -13.424 4.894 -6.153 1.00 0.00 O ATOM 160 CB CYS A 13 -10.898 6.485 -4.786 1.00 0.00 C ATOM 161 SG CYS A 13 -9.910 5.836 -6.152 1.00 0.00 S ATOM 0 H CYS A 13 -12.234 8.326 -3.781 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.242 7.136 -6.340 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.424 7.373 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.959 5.749 -3.984 1.00 0.00 H new ATOM 166 N CYS A 14 -13.703 5.309 -4.017 1.00 0.00 N ATOM 167 CA CYS A 14 -14.581 4.114 -3.866 1.00 0.00 C ATOM 168 C CYS A 14 -16.040 4.561 -3.758 1.00 0.00 C ATOM 169 O CYS A 14 -16.413 5.307 -2.875 1.00 0.00 O ATOM 170 CB CYS A 14 -14.181 3.332 -2.611 1.00 0.00 C ATOM 171 SG CYS A 14 -14.560 4.305 -1.133 1.00 0.00 S ATOM 0 H CYS A 14 -13.550 5.850 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.467 3.469 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.714 2.382 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.117 3.099 -2.641 1.00 0.00 H new ATOM 176 N ASP A 15 -16.864 4.105 -4.657 1.00 0.00 N ATOM 177 CA ASP A 15 -18.301 4.486 -4.624 1.00 0.00 C ATOM 178 C ASP A 15 -18.863 4.231 -3.226 1.00 0.00 C ATOM 179 O ASP A 15 -18.528 3.257 -2.582 1.00 0.00 O ATOM 180 CB ASP A 15 -19.064 3.638 -5.641 1.00 0.00 C ATOM 181 CG ASP A 15 -20.266 4.424 -6.168 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.408 5.576 -5.791 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.026 3.861 -6.940 1.00 0.00 O ATOM 0 H ASP A 15 -16.601 3.480 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.408 5.543 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.407 3.363 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.399 2.710 -5.177 1.00 0.00 H new ATOM 188 N ALA A 16 -19.718 5.097 -2.756 1.00 0.00 N ATOM 189 CA ALA A 16 -20.305 4.903 -1.402 1.00 0.00 C ATOM 190 C ALA A 16 -21.448 3.889 -1.490 1.00 0.00 C ATOM 191 O ALA A 16 -21.645 3.083 -0.602 1.00 0.00 O ATOM 192 CB ALA A 16 -20.841 6.239 -0.883 1.00 0.00 C ATOM 0 H ALA A 16 -20.035 5.930 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 16 -19.541 4.532 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.271 6.098 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.026 6.960 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.608 6.612 -1.562 1.00 0.00 H new ATOM 198 N ALA A 17 -22.200 3.919 -2.558 1.00 0.00 N ATOM 199 CA ALA A 17 -23.323 2.951 -2.704 1.00 0.00 C ATOM 200 C ALA A 17 -22.768 1.527 -2.658 1.00 0.00 C ATOM 201 O ALA A 17 -23.373 0.629 -2.109 1.00 0.00 O ATOM 202 CB ALA A 17 -24.027 3.183 -4.042 1.00 0.00 C ATOM 0 H ALA A 17 -22.085 4.571 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 17 -24.037 3.092 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.849 2.475 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -24.418 4.200 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -23.317 3.040 -4.856 1.00 0.00 H new ATOM 208 N THR A 18 -21.614 1.318 -3.230 1.00 0.00 N ATOM 209 CA THR A 18 -21.013 -0.044 -3.219 1.00 0.00 C ATOM 210 C THR A 18 -19.816 -0.058 -2.270 1.00 0.00 C ATOM 211 O THR A 18 -19.310 -1.101 -1.909 1.00 0.00 O ATOM 212 CB THR A 18 -20.551 -0.415 -4.629 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.831 0.672 -5.193 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.771 -0.728 -5.496 1.00 0.00 C ATOM 0 H THR A 18 -21.062 2.032 -3.704 1.00 0.00 H new ATOM 0 HA THR A 18 -21.756 -0.767 -2.883 1.00 0.00 H new ATOM 0 HB THR A 18 -19.904 -1.291 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.533 0.434 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.444 -0.993 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.322 -1.563 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.418 0.148 -5.543 1.00 0.00 H new ATOM 222 N CYS A 19 -19.360 1.096 -1.858 1.00 0.00 N ATOM 223 CA CYS A 19 -18.198 1.149 -0.926 1.00 0.00 C ATOM 224 C CYS A 19 -16.968 0.551 -1.615 1.00 0.00 C ATOM 225 O CYS A 19 -16.075 0.036 -0.976 1.00 0.00 O ATOM 226 CB CYS A 19 -18.536 0.336 0.330 1.00 0.00 C ATOM 227 SG CYS A 19 -17.154 0.392 1.499 1.00 0.00 S ATOM 0 H CYS A 19 -19.742 2.003 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.985 2.182 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.436 0.734 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -18.750 -0.697 0.057 1.00 0.00 H new ATOM 232 N LYS A 20 -16.912 0.609 -2.917 1.00 0.00 N ATOM 233 CA LYS A 20 -15.734 0.028 -3.624 1.00 0.00 C ATOM 234 C LYS A 20 -15.264 0.966 -4.736 1.00 0.00 C ATOM 235 O LYS A 20 -15.904 1.948 -5.047 1.00 0.00 O ATOM 236 CB LYS A 20 -16.126 -1.319 -4.233 1.00 0.00 C ATOM 237 CG LYS A 20 -16.335 -2.342 -3.117 1.00 0.00 C ATOM 238 CD LYS A 20 -15.113 -3.258 -3.032 1.00 0.00 C ATOM 239 CE LYS A 20 -15.467 -4.640 -3.586 1.00 0.00 C ATOM 240 NZ LYS A 20 -14.383 -5.102 -4.500 1.00 0.00 N ATOM 0 H LYS A 20 -17.622 1.028 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.923 -0.106 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.039 -1.213 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.348 -1.662 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.488 -1.833 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.232 -2.931 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.285 -2.830 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.782 -3.344 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.595 -5.349 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.415 -4.597 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.248 -6.127 -4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.646 -4.893 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.498 -4.609 -4.266 1.00 0.00 H new ATOM 254 N LEU A 21 -14.146 0.665 -5.341 1.00 0.00 N ATOM 255 CA LEU A 21 -13.629 1.535 -6.435 1.00 0.00 C ATOM 256 C LEU A 21 -14.648 1.584 -7.573 1.00 0.00 C ATOM 257 O LEU A 21 -14.902 0.596 -8.234 1.00 0.00 O ATOM 258 CB LEU A 21 -12.310 0.962 -6.957 1.00 0.00 C ATOM 259 CG LEU A 21 -11.187 1.285 -5.971 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.270 0.070 -5.825 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.380 2.473 -6.498 1.00 0.00 C ATOM 0 H LEU A 21 -13.568 -0.147 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.464 2.542 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.396 -0.117 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.081 1.383 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.614 1.534 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.470 0.301 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.846 -0.778 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.840 -0.180 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.578 2.707 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.953 2.221 -7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.034 3.339 -6.603 1.00 0.00 H new ATOM 273 N ARG A 22 -15.238 2.725 -7.806 1.00 0.00 N ATOM 274 CA ARG A 22 -16.244 2.834 -8.899 1.00 0.00 C ATOM 275 C ARG A 22 -15.539 2.866 -10.261 1.00 0.00 C ATOM 276 O ARG A 22 -15.893 2.119 -11.153 1.00 0.00 O ATOM 277 CB ARG A 22 -17.064 4.113 -8.720 1.00 0.00 C ATOM 278 CG ARG A 22 -18.538 3.815 -8.998 1.00 0.00 C ATOM 279 CD ARG A 22 -19.330 5.125 -9.005 1.00 0.00 C ATOM 280 NE ARG A 22 -20.730 4.854 -9.432 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.639 5.784 -9.316 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.627 6.812 -10.122 1.00 0.00 N ATOM 283 NH2 ARG A 22 -22.557 5.688 -8.394 1.00 0.00 N ATOM 0 H ARG A 22 -15.066 3.586 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.905 1.969 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.944 4.496 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.704 4.887 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.643 3.309 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.934 3.142 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.321 5.573 -8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.864 5.841 -9.682 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.979 3.942 -9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.908 6.888 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -22.337 7.539 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -22.565 4.886 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.267 6.415 -8.304 1.00 0.00 H new ATOM 297 N PRO A 23 -14.566 3.733 -10.387 1.00 0.00 N ATOM 298 CA PRO A 23 -13.804 3.884 -11.637 1.00 0.00 C ATOM 299 C PRO A 23 -12.766 2.764 -11.770 1.00 0.00 C ATOM 300 O PRO A 23 -12.799 1.786 -11.050 1.00 0.00 O ATOM 301 CB PRO A 23 -13.127 5.248 -11.485 1.00 0.00 C ATOM 302 CG PRO A 23 -13.074 5.541 -9.967 1.00 0.00 C ATOM 303 CD PRO A 23 -14.134 4.640 -9.303 1.00 0.00 C ATOM 0 HA PRO A 23 -14.427 3.824 -12.529 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.125 5.234 -11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.688 6.021 -12.011 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.082 5.331 -9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.281 6.593 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.716 4.086 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.969 5.225 -8.916 1.00 0.00 H new ATOM 311 N GLY A 24 -11.847 2.899 -12.687 1.00 0.00 N ATOM 312 CA GLY A 24 -10.812 1.842 -12.867 1.00 0.00 C ATOM 313 C GLY A 24 -9.617 2.132 -11.956 1.00 0.00 C ATOM 314 O GLY A 24 -8.478 1.936 -12.329 1.00 0.00 O ATOM 0 H GLY A 24 -11.768 3.696 -13.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.232 0.864 -12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.489 1.809 -13.908 1.00 0.00 H new ATOM 318 N ALA A 25 -9.868 2.594 -10.762 1.00 0.00 N ATOM 319 CA ALA A 25 -8.747 2.894 -9.827 1.00 0.00 C ATOM 320 C ALA A 25 -8.385 1.625 -9.050 1.00 0.00 C ATOM 321 O ALA A 25 -9.243 0.850 -8.679 1.00 0.00 O ATOM 322 CB ALA A 25 -9.181 3.991 -8.853 1.00 0.00 C ATOM 0 H ALA A 25 -10.801 2.777 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.877 3.234 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.363 4.213 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.441 4.891 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.048 3.652 -8.286 1.00 0.00 H new ATOM 328 N GLN A 26 -7.119 1.398 -8.807 1.00 0.00 N ATOM 329 CA GLN A 26 -6.714 0.171 -8.065 1.00 0.00 C ATOM 330 C GLN A 26 -6.927 0.369 -6.563 1.00 0.00 C ATOM 331 O GLN A 26 -6.996 -0.583 -5.811 1.00 0.00 O ATOM 332 CB GLN A 26 -5.237 -0.121 -8.332 1.00 0.00 C ATOM 333 CG GLN A 26 -5.108 -1.446 -9.087 1.00 0.00 C ATOM 334 CD GLN A 26 -4.955 -1.169 -10.584 1.00 0.00 C ATOM 335 OE1 GLN A 26 -4.083 -0.427 -10.990 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.771 -1.739 -11.428 1.00 0.00 N ATOM 0 H GLN A 26 -6.352 2.008 -9.090 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.324 -0.666 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.795 0.687 -8.915 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.689 -0.171 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.246 -2.003 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.987 -2.065 -8.909 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.503 -2.362 -11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.676 -1.561 -12.428 1.00 0.00 H new ATOM 345 N CYS A 27 -7.023 1.590 -6.110 1.00 0.00 N ATOM 346 CA CYS A 27 -7.221 1.817 -4.651 1.00 0.00 C ATOM 347 C CYS A 27 -7.818 3.208 -4.415 1.00 0.00 C ATOM 348 O CYS A 27 -7.647 4.118 -5.200 1.00 0.00 O ATOM 349 CB CYS A 27 -5.856 1.667 -3.936 1.00 0.00 C ATOM 350 SG CYS A 27 -5.638 2.900 -2.612 1.00 0.00 S ATOM 0 H CYS A 27 -6.973 2.433 -6.682 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.917 1.083 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.776 0.665 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.052 1.772 -4.664 1.00 0.00 H new ATOM 355 N GLY A 28 -8.499 3.371 -3.314 1.00 0.00 N ATOM 356 CA GLY A 28 -9.096 4.692 -2.984 1.00 0.00 C ATOM 357 C GLY A 28 -8.281 5.313 -1.856 1.00 0.00 C ATOM 358 O GLY A 28 -8.237 6.517 -1.693 1.00 0.00 O ATOM 0 H GLY A 28 -8.668 2.638 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.090 5.341 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.136 4.574 -2.681 1.00 0.00 H new ATOM 362 N GLU A 29 -7.629 4.495 -1.079 1.00 0.00 N ATOM 363 CA GLU A 29 -6.807 5.024 0.038 1.00 0.00 C ATOM 364 C GLU A 29 -5.594 4.111 0.258 1.00 0.00 C ATOM 365 O GLU A 29 -5.685 2.904 0.151 1.00 0.00 O ATOM 366 CB GLU A 29 -7.669 5.096 1.303 1.00 0.00 C ATOM 367 CG GLU A 29 -7.702 3.734 2.005 1.00 0.00 C ATOM 368 CD GLU A 29 -6.642 3.701 3.107 1.00 0.00 C ATOM 369 OE1 GLU A 29 -6.440 4.725 3.740 1.00 0.00 O ATOM 370 OE2 GLU A 29 -6.050 2.652 3.302 1.00 0.00 O ATOM 0 H GLU A 29 -7.632 3.479 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.447 6.025 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.270 5.852 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.682 5.403 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.690 3.556 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.517 2.937 1.284 1.00 0.00 H new ATOM 377 N GLY A 30 -4.459 4.680 0.560 1.00 0.00 N ATOM 378 CA GLY A 30 -3.237 3.854 0.782 1.00 0.00 C ATOM 379 C GLY A 30 -2.002 4.729 0.550 1.00 0.00 C ATOM 380 O GLY A 30 -2.056 5.703 -0.175 1.00 0.00 O ATOM 0 H GLY A 30 -4.324 5.686 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.231 3.454 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.229 3.002 0.103 1.00 0.00 H new ATOM 384 N LEU A 31 -0.890 4.400 1.152 1.00 0.00 N ATOM 385 CA LEU A 31 0.327 5.232 0.948 1.00 0.00 C ATOM 386 C LEU A 31 0.883 4.975 -0.452 1.00 0.00 C ATOM 387 O LEU A 31 1.493 5.834 -1.058 1.00 0.00 O ATOM 388 CB LEU A 31 1.383 4.856 1.986 1.00 0.00 C ATOM 389 CG LEU A 31 1.341 5.848 3.148 1.00 0.00 C ATOM 390 CD1 LEU A 31 -0.105 6.032 3.610 1.00 0.00 C ATOM 391 CD2 LEU A 31 2.180 5.308 4.308 1.00 0.00 C ATOM 0 H LEU A 31 -0.774 3.598 1.771 1.00 0.00 H new ATOM 0 HA LEU A 31 0.070 6.286 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.203 3.845 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.373 4.858 1.529 1.00 0.00 H new ATOM 0 HG LEU A 31 1.743 6.807 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.135 6.739 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.705 6.415 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.507 5.073 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.151 6.014 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.776 4.349 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.211 5.175 3.980 1.00 0.00 H new ATOM 403 N CYS A 32 0.676 3.796 -0.968 1.00 0.00 N ATOM 404 CA CYS A 32 1.191 3.473 -2.325 1.00 0.00 C ATOM 405 C CYS A 32 0.074 3.666 -3.352 1.00 0.00 C ATOM 406 O CYS A 32 0.081 3.067 -4.409 1.00 0.00 O ATOM 407 CB CYS A 32 1.659 2.018 -2.348 1.00 0.00 C ATOM 408 SG CYS A 32 2.457 1.662 -3.932 1.00 0.00 S ATOM 0 H CYS A 32 0.170 3.040 -0.506 1.00 0.00 H new ATOM 0 HA CYS A 32 2.025 4.131 -2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.356 1.837 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.811 1.350 -2.199 1.00 0.00 H new ATOM 413 N CYS A 33 -0.885 4.496 -3.051 1.00 0.00 N ATOM 414 CA CYS A 33 -1.999 4.723 -4.013 1.00 0.00 C ATOM 415 C CYS A 33 -1.789 6.052 -4.738 1.00 0.00 C ATOM 416 O CYS A 33 -2.322 7.074 -4.352 1.00 0.00 O ATOM 417 CB CYS A 33 -3.331 4.762 -3.257 1.00 0.00 C ATOM 418 SG CYS A 33 -3.637 3.153 -2.487 1.00 0.00 S ATOM 0 H CYS A 33 -0.946 5.026 -2.182 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.016 3.911 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.307 5.542 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.142 5.010 -3.941 1.00 0.00 H new ATOM 423 N GLU A 34 -1.030 6.046 -5.800 1.00 0.00 N ATOM 424 CA GLU A 34 -0.804 7.302 -6.559 1.00 0.00 C ATOM 425 C GLU A 34 -1.876 7.398 -7.638 1.00 0.00 C ATOM 426 O GLU A 34 -2.025 6.511 -8.454 1.00 0.00 O ATOM 427 CB GLU A 34 0.582 7.275 -7.209 1.00 0.00 C ATOM 428 CG GLU A 34 1.637 6.940 -6.152 1.00 0.00 C ATOM 429 CD GLU A 34 2.219 8.234 -5.580 1.00 0.00 C ATOM 430 OE1 GLU A 34 1.662 9.284 -5.855 1.00 0.00 O ATOM 431 OE2 GLU A 34 3.212 8.152 -4.875 1.00 0.00 O ATOM 0 H GLU A 34 -0.557 5.223 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.857 8.162 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.606 6.535 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.801 8.242 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.191 6.346 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.430 6.337 -6.594 1.00 0.00 H new ATOM 438 N GLN A 35 -2.642 8.447 -7.635 1.00 0.00 N ATOM 439 CA GLN A 35 -3.722 8.573 -8.648 1.00 0.00 C ATOM 440 C GLN A 35 -4.733 7.450 -8.423 1.00 0.00 C ATOM 441 O GLN A 35 -5.333 6.942 -9.349 1.00 0.00 O ATOM 442 CB GLN A 35 -3.134 8.465 -10.058 1.00 0.00 C ATOM 443 CG GLN A 35 -2.127 9.593 -10.284 1.00 0.00 C ATOM 444 CD GLN A 35 -2.764 10.678 -11.155 1.00 0.00 C ATOM 445 OE1 GLN A 35 -3.221 11.686 -10.654 1.00 0.00 O ATOM 446 NE2 GLN A 35 -2.814 10.512 -12.450 1.00 0.00 N ATOM 0 H GLN A 35 -2.568 9.222 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.211 9.542 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.647 7.498 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.931 8.521 -10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.816 10.015 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.231 9.204 -10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.430 9.666 -12.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.237 11.229 -13.040 1.00 0.00 H new ATOM 455 N CYS A 36 -4.916 7.056 -7.189 1.00 0.00 N ATOM 456 CA CYS A 36 -5.877 5.960 -6.878 1.00 0.00 C ATOM 457 C CYS A 36 -5.371 4.646 -7.471 1.00 0.00 C ATOM 458 O CYS A 36 -6.078 3.658 -7.509 1.00 0.00 O ATOM 459 CB CYS A 36 -7.247 6.283 -7.473 1.00 0.00 C ATOM 460 SG CYS A 36 -8.292 7.041 -6.210 1.00 0.00 S ATOM 0 H CYS A 36 -4.437 7.450 -6.379 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.964 5.865 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.136 6.958 -8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.715 5.373 -7.849 1.00 0.00 H new ATOM 465 N LYS A 37 -4.155 4.623 -7.940 1.00 0.00 N ATOM 466 CA LYS A 37 -3.612 3.370 -8.531 1.00 0.00 C ATOM 467 C LYS A 37 -2.453 2.858 -7.672 1.00 0.00 C ATOM 468 O LYS A 37 -1.952 3.554 -6.810 1.00 0.00 O ATOM 469 CB LYS A 37 -3.118 3.655 -9.951 1.00 0.00 C ATOM 470 CG LYS A 37 -4.316 3.955 -10.855 1.00 0.00 C ATOM 471 CD LYS A 37 -3.833 4.604 -12.152 1.00 0.00 C ATOM 472 CE LYS A 37 -3.129 3.555 -13.015 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.146 2.732 -13.727 1.00 0.00 N ATOM 0 H LYS A 37 -3.515 5.417 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.394 2.611 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.431 4.501 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.565 2.798 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.856 3.035 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.013 4.618 -10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.677 5.030 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.151 5.424 -11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.472 4.043 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.502 2.918 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.829 1.742 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.053 2.788 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.267 3.091 -14.696 1.00 0.00 H new ATOM 487 N PHE A 38 -2.025 1.647 -7.898 1.00 0.00 N ATOM 488 CA PHE A 38 -0.901 1.092 -7.093 1.00 0.00 C ATOM 489 C PHE A 38 0.421 1.657 -7.605 1.00 0.00 C ATOM 490 O PHE A 38 0.839 1.371 -8.709 1.00 0.00 O ATOM 491 CB PHE A 38 -0.866 -0.433 -7.239 1.00 0.00 C ATOM 492 CG PHE A 38 -1.889 -1.081 -6.330 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.787 -0.297 -5.596 1.00 0.00 C ATOM 494 CD2 PHE A 38 -1.935 -2.477 -6.226 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.729 -0.909 -4.760 1.00 0.00 C ATOM 496 CE2 PHE A 38 -2.877 -3.088 -5.391 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.773 -2.304 -4.657 1.00 0.00 C ATOM 0 H PHE A 38 -2.405 1.018 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.046 1.364 -6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.066 -0.709 -8.274 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.130 -0.804 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.753 0.780 -5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.242 -3.083 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.422 -0.304 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.912 -4.165 -5.313 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.499 -2.775 -4.011 1.00 0.00 H new ATOM 507 N SER A 39 1.097 2.440 -6.812 1.00 0.00 N ATOM 508 CA SER A 39 2.398 2.987 -7.274 1.00 0.00 C ATOM 509 C SER A 39 3.323 1.808 -7.573 1.00 0.00 C ATOM 510 O SER A 39 2.893 0.672 -7.609 1.00 0.00 O ATOM 511 CB SER A 39 3.009 3.861 -6.178 1.00 0.00 C ATOM 512 OG SER A 39 1.969 4.391 -5.365 1.00 0.00 O ATOM 0 H SER A 39 0.808 2.721 -5.875 1.00 0.00 H new ATOM 0 HA SER A 39 2.260 3.597 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.698 3.274 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.587 4.671 -6.623 1.00 0.00 H new ATOM 0 HG SER A 39 2.358 4.816 -4.572 1.00 0.00 H new ATOM 518 N ARG A 40 4.583 2.050 -7.788 1.00 0.00 N ATOM 519 CA ARG A 40 5.501 0.915 -8.082 1.00 0.00 C ATOM 520 C ARG A 40 6.133 0.417 -6.780 1.00 0.00 C ATOM 521 O ARG A 40 6.133 1.104 -5.779 1.00 0.00 O ATOM 522 CB ARG A 40 6.604 1.377 -9.035 1.00 0.00 C ATOM 523 CG ARG A 40 6.520 0.581 -10.338 1.00 0.00 C ATOM 524 CD ARG A 40 6.092 1.509 -11.476 1.00 0.00 C ATOM 525 NE ARG A 40 4.777 2.126 -11.141 1.00 0.00 N ATOM 526 CZ ARG A 40 3.739 1.902 -11.898 1.00 0.00 C ATOM 527 NH1 ARG A 40 3.845 1.999 -13.194 1.00 0.00 N ATOM 528 NH2 ARG A 40 2.594 1.580 -11.360 1.00 0.00 N ATOM 0 H ARG A 40 5.015 2.974 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 40 4.935 0.107 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.499 2.442 -9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.581 1.236 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.487 0.132 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.806 -0.236 -10.232 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.842 2.285 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.017 0.949 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 40 4.689 2.724 -10.319 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.739 2.250 -13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.033 1.824 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.510 1.503 -10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.783 1.405 -11.953 1.00 0.00 H new ATOM 542 N ALA A 41 6.672 -0.772 -6.789 1.00 0.00 N ATOM 543 CA ALA A 41 7.306 -1.323 -5.556 1.00 0.00 C ATOM 544 C ALA A 41 8.598 -0.565 -5.263 1.00 0.00 C ATOM 545 O ALA A 41 9.088 0.187 -6.081 1.00 0.00 O ATOM 546 CB ALA A 41 7.628 -2.805 -5.765 1.00 0.00 C ATOM 0 H ALA A 41 6.701 -1.389 -7.601 1.00 0.00 H new ATOM 0 HA ALA A 41 6.619 -1.212 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.091 -3.207 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.708 -3.351 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.314 -2.913 -6.605 1.00 0.00 H new ATOM 552 N GLY A 42 9.150 -0.749 -4.097 1.00 0.00 N ATOM 553 CA GLY A 42 10.403 -0.029 -3.753 1.00 0.00 C ATOM 554 C GLY A 42 10.070 1.452 -3.586 1.00 0.00 C ATOM 555 O GLY A 42 10.909 2.312 -3.761 1.00 0.00 O ATOM 0 H GLY A 42 8.788 -1.366 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.831 -0.429 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.148 -0.165 -4.537 1.00 0.00 H new ATOM 559 N LYS A 43 8.839 1.755 -3.264 1.00 0.00 N ATOM 560 CA LYS A 43 8.449 3.191 -3.105 1.00 0.00 C ATOM 561 C LYS A 43 8.347 3.544 -1.617 1.00 0.00 C ATOM 562 O LYS A 43 7.464 3.086 -0.919 1.00 0.00 O ATOM 563 CB LYS A 43 7.101 3.434 -3.800 1.00 0.00 C ATOM 564 CG LYS A 43 6.470 4.736 -3.294 1.00 0.00 C ATOM 565 CD LYS A 43 6.098 5.622 -4.485 1.00 0.00 C ATOM 566 CE LYS A 43 6.849 6.953 -4.389 1.00 0.00 C ATOM 567 NZ LYS A 43 6.980 7.547 -5.750 1.00 0.00 N ATOM 0 H LYS A 43 8.092 1.079 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 43 9.208 3.825 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.245 3.487 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.429 2.597 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.583 4.515 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.168 5.261 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.349 5.118 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.023 5.800 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.314 7.638 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.835 6.796 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.490 8.451 -5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.508 6.894 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.034 7.710 -6.150 1.00 0.00 H new ATOM 581 N ILE A 44 9.243 4.362 -1.135 1.00 0.00 N ATOM 582 CA ILE A 44 9.215 4.753 0.305 1.00 0.00 C ATOM 583 C ILE A 44 7.885 5.426 0.636 1.00 0.00 C ATOM 584 O ILE A 44 7.563 6.482 0.130 1.00 0.00 O ATOM 585 CB ILE A 44 10.360 5.730 0.583 1.00 0.00 C ATOM 586 CG1 ILE A 44 10.238 6.290 2.005 1.00 0.00 C ATOM 587 CG2 ILE A 44 10.294 6.883 -0.417 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.943 5.353 2.985 1.00 0.00 C ATOM 0 H ILE A 44 9.998 4.779 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 44 9.329 3.862 0.923 1.00 0.00 H new ATOM 0 HB ILE A 44 11.310 5.205 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.681 7.285 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.188 6.394 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.108 7.581 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.386 6.492 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.340 7.400 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.856 5.751 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.480 4.367 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.996 5.271 2.717 1.00 0.00 H new ATOM 600 N CYS A 45 7.122 4.822 1.500 1.00 0.00 N ATOM 601 CA CYS A 45 5.819 5.417 1.892 1.00 0.00 C ATOM 602 C CYS A 45 5.956 6.026 3.286 1.00 0.00 C ATOM 603 O CYS A 45 5.113 6.776 3.735 1.00 0.00 O ATOM 604 CB CYS A 45 4.750 4.332 1.899 1.00 0.00 C ATOM 605 SG CYS A 45 4.252 3.991 0.194 1.00 0.00 S ATOM 0 H CYS A 45 7.347 3.937 1.954 1.00 0.00 H new ATOM 0 HA CYS A 45 5.531 6.193 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.135 3.426 2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.890 4.654 2.486 1.00 0.00 H new ATOM 610 N ARG A 46 7.025 5.716 3.969 1.00 0.00 N ATOM 611 CA ARG A 46 7.229 6.281 5.328 1.00 0.00 C ATOM 612 C ARG A 46 8.709 6.186 5.701 1.00 0.00 C ATOM 613 O ARG A 46 9.279 5.116 5.760 1.00 0.00 O ATOM 614 CB ARG A 46 6.389 5.504 6.343 1.00 0.00 C ATOM 615 CG ARG A 46 5.104 6.279 6.641 1.00 0.00 C ATOM 616 CD ARG A 46 5.023 6.578 8.139 1.00 0.00 C ATOM 617 NE ARG A 46 4.424 7.926 8.346 1.00 0.00 N ATOM 618 CZ ARG A 46 3.127 8.061 8.403 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.356 7.246 7.738 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.603 9.012 9.127 1.00 0.00 N ATOM 0 H ARG A 46 7.765 5.095 3.642 1.00 0.00 H new ATOM 0 HA ARG A 46 6.920 7.326 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.148 4.516 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.957 5.353 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.088 7.209 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.236 5.699 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.420 5.820 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.018 6.539 8.583 1.00 0.00 H new ATOM 0 HE ARG A 46 5.027 8.743 8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.766 6.503 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.343 7.352 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.207 9.648 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.590 9.119 9.173 1.00 0.00 H new ATOM 634 N ILE A 47 9.334 7.302 5.950 1.00 0.00 N ATOM 635 CA ILE A 47 10.776 7.288 6.316 1.00 0.00 C ATOM 636 C ILE A 47 10.987 6.399 7.542 1.00 0.00 C ATOM 637 O ILE A 47 10.164 6.351 8.435 1.00 0.00 O ATOM 638 CB ILE A 47 11.227 8.710 6.640 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.751 8.745 6.758 1.00 0.00 C ATOM 640 CG2 ILE A 47 10.605 9.153 7.964 1.00 0.00 C ATOM 641 CD1 ILE A 47 13.315 9.732 5.736 1.00 0.00 C ATOM 0 H ILE A 47 8.906 8.227 5.915 1.00 0.00 H new ATOM 0 HA ILE A 47 11.358 6.897 5.481 1.00 0.00 H new ATOM 0 HB ILE A 47 10.907 9.383 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.042 9.041 7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.163 7.751 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.927 10.168 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.518 9.127 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.926 8.480 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.402 9.759 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.034 9.416 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.912 10.726 5.929 1.00 0.00 H new ATOM 653 N ALA A 48 12.087 5.699 7.598 1.00 0.00 N ATOM 654 CA ALA A 48 12.350 4.823 8.773 1.00 0.00 C ATOM 655 C ALA A 48 12.659 5.696 9.989 1.00 0.00 C ATOM 656 O ALA A 48 13.500 6.572 9.937 1.00 0.00 O ATOM 657 CB ALA A 48 13.548 3.916 8.480 1.00 0.00 C ATOM 0 H ALA A 48 12.813 5.696 6.882 1.00 0.00 H new ATOM 0 HA ALA A 48 11.473 4.208 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.739 3.276 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.332 3.298 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.428 4.528 8.281 1.00 0.00 H new ATOM 663 N ARG A 49 11.989 5.469 11.085 1.00 0.00 N ATOM 664 CA ARG A 49 12.253 6.293 12.296 1.00 0.00 C ATOM 665 C ARG A 49 13.630 5.936 12.853 1.00 0.00 C ATOM 666 O ARG A 49 13.754 5.402 13.937 1.00 0.00 O ATOM 667 CB ARG A 49 11.184 6.008 13.353 1.00 0.00 C ATOM 668 CG ARG A 49 9.796 6.147 12.723 1.00 0.00 C ATOM 669 CD ARG A 49 9.549 7.609 12.349 1.00 0.00 C ATOM 670 NE ARG A 49 8.202 7.740 11.725 1.00 0.00 N ATOM 671 CZ ARG A 49 7.730 8.921 11.422 1.00 0.00 C ATOM 672 NH1 ARG A 49 8.466 9.985 11.594 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.521 9.035 10.941 1.00 0.00 N ATOM 0 H ARG A 49 11.273 4.751 11.194 1.00 0.00 H new ATOM 0 HA ARG A 49 12.225 7.351 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.314 5.003 13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.288 6.702 14.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.723 5.517 11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.032 5.805 13.421 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.614 8.239 13.236 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.317 7.954 11.657 1.00 0.00 H new ATOM 0 HE ARG A 49 7.647 6.906 11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.412 9.896 11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.095 10.905 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.947 8.203 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.151 9.956 10.704 1.00 0.00 H new ATOM 687 N GLY A 50 14.667 6.227 12.119 1.00 0.00 N ATOM 688 CA GLY A 50 16.037 5.901 12.604 1.00 0.00 C ATOM 689 C GLY A 50 16.918 5.493 11.419 1.00 0.00 C ATOM 690 O GLY A 50 16.938 6.148 10.396 1.00 0.00 O ATOM 0 H GLY A 50 14.625 6.676 11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.469 6.764 13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.993 5.092 13.333 1.00 0.00 H new ATOM 694 N ASP A 51 17.659 4.427 11.556 1.00 0.00 N ATOM 695 CA ASP A 51 18.553 3.995 10.441 1.00 0.00 C ATOM 696 C ASP A 51 17.970 2.791 9.692 1.00 0.00 C ATOM 697 O ASP A 51 17.999 2.737 8.478 1.00 0.00 O ATOM 698 CB ASP A 51 19.923 3.620 11.009 1.00 0.00 C ATOM 699 CG ASP A 51 20.895 4.784 10.811 1.00 0.00 C ATOM 700 OD1 ASP A 51 20.516 5.904 11.107 1.00 0.00 O ATOM 701 OD2 ASP A 51 22.004 4.534 10.367 1.00 0.00 O ATOM 0 H ASP A 51 17.685 3.838 12.388 1.00 0.00 H new ATOM 0 HA ASP A 51 18.646 4.823 9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.836 3.382 12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.302 2.727 10.512 1.00 0.00 H new ATOM 706 N TRP A 52 17.467 1.820 10.400 1.00 0.00 N ATOM 707 CA TRP A 52 16.905 0.603 9.733 1.00 0.00 C ATOM 708 C TRP A 52 16.142 0.986 8.461 1.00 0.00 C ATOM 709 O TRP A 52 15.767 2.125 8.262 1.00 0.00 O ATOM 710 CB TRP A 52 15.960 -0.127 10.689 1.00 0.00 C ATOM 711 CG TRP A 52 15.271 0.858 11.576 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.096 1.467 11.299 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.692 1.352 12.880 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.767 2.302 12.351 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.720 2.266 13.350 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.811 1.097 13.691 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.854 2.904 14.583 1.00 0.00 C ATOM 718 CZ3 TRP A 52 16.949 1.738 14.932 1.00 0.00 C ATOM 719 CH2 TRP A 52 15.972 2.639 15.378 1.00 0.00 C ATOM 0 H TRP A 52 17.419 1.813 11.419 1.00 0.00 H new ATOM 0 HA TRP A 52 17.734 -0.052 9.464 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.223 -0.696 10.122 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.520 -0.842 11.292 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.510 1.325 10.403 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.924 2.875 12.385 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.569 0.404 13.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.099 3.598 14.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 17.813 1.536 15.547 1.00 0.00 H new ATOM 0 HH2 TRP A 52 16.083 3.128 16.335 1.00 0.00 H new ATOM 730 N ASN A 53 15.918 0.033 7.597 1.00 0.00 N ATOM 731 CA ASN A 53 15.190 0.312 6.327 1.00 0.00 C ATOM 732 C ASN A 53 13.921 1.120 6.613 1.00 0.00 C ATOM 733 O ASN A 53 13.606 1.424 7.746 1.00 0.00 O ATOM 734 CB ASN A 53 14.808 -1.013 5.662 1.00 0.00 C ATOM 735 CG ASN A 53 14.557 -0.786 4.170 1.00 0.00 C ATOM 736 OD1 ASN A 53 13.572 -0.183 3.793 1.00 0.00 O ATOM 737 ND2 ASN A 53 15.411 -1.248 3.300 1.00 0.00 N ATOM 0 H ASN A 53 16.211 -0.936 7.719 1.00 0.00 H new ATOM 0 HA ASN A 53 15.836 0.887 5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.605 -1.744 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.915 -1.423 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.252 -1.103 2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 53 16.238 -1.754 3.616 1.00 0.00 H new ATOM 744 N ASP A 54 13.196 1.471 5.587 1.00 0.00 N ATOM 745 CA ASP A 54 11.947 2.261 5.779 1.00 0.00 C ATOM 746 C ASP A 54 10.752 1.451 5.261 1.00 0.00 C ATOM 747 O ASP A 54 10.669 0.257 5.470 1.00 0.00 O ATOM 748 CB ASP A 54 12.062 3.572 4.997 1.00 0.00 C ATOM 749 CG ASP A 54 13.517 4.045 4.997 1.00 0.00 C ATOM 750 OD1 ASP A 54 14.300 3.488 4.245 1.00 0.00 O ATOM 751 OD2 ASP A 54 13.823 4.957 5.749 1.00 0.00 O ATOM 0 H ASP A 54 13.417 1.243 4.618 1.00 0.00 H new ATOM 0 HA ASP A 54 11.802 2.479 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.716 3.428 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.422 4.332 5.446 1.00 0.00 H new ATOM 756 N ASP A 55 9.825 2.082 4.586 1.00 0.00 N ATOM 757 CA ASP A 55 8.649 1.334 4.059 1.00 0.00 C ATOM 758 C ASP A 55 8.536 1.574 2.552 1.00 0.00 C ATOM 759 O ASP A 55 8.113 2.625 2.113 1.00 0.00 O ATOM 760 CB ASP A 55 7.377 1.825 4.754 1.00 0.00 C ATOM 761 CG ASP A 55 7.639 1.970 6.254 1.00 0.00 C ATOM 762 OD1 ASP A 55 8.550 1.322 6.743 1.00 0.00 O ATOM 763 OD2 ASP A 55 6.924 2.729 6.889 1.00 0.00 O ATOM 0 H ASP A 55 9.833 3.081 4.379 1.00 0.00 H new ATOM 0 HA ASP A 55 8.775 0.269 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.067 2.782 4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.562 1.122 4.583 1.00 0.00 H new ATOM 768 N ARG A 56 8.919 0.613 1.756 1.00 0.00 N ATOM 769 CA ARG A 56 8.844 0.795 0.279 1.00 0.00 C ATOM 770 C ARG A 56 7.630 0.054 -0.283 1.00 0.00 C ATOM 771 O ARG A 56 7.351 -1.070 0.085 1.00 0.00 O ATOM 772 CB ARG A 56 10.114 0.243 -0.368 1.00 0.00 C ATOM 773 CG ARG A 56 11.342 0.829 0.330 1.00 0.00 C ATOM 774 CD ARG A 56 12.399 1.181 -0.718 1.00 0.00 C ATOM 775 NE ARG A 56 13.680 1.523 -0.041 1.00 0.00 N ATOM 776 CZ ARG A 56 14.477 2.411 -0.568 1.00 0.00 C ATOM 777 NH1 ARG A 56 15.097 2.147 -1.685 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.650 3.563 0.019 1.00 0.00 N ATOM 0 H ARG A 56 9.280 -0.290 2.065 1.00 0.00 H new ATOM 0 HA ARG A 56 8.748 1.858 0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.127 -0.845 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.132 0.493 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.063 1.718 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.746 0.111 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.547 0.340 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.060 2.022 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 56 13.934 1.064 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.958 1.247 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.721 2.840 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.162 3.770 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.273 4.257 -0.393 1.00 0.00 H new ATOM 792 N CYS A 57 6.910 0.669 -1.186 1.00 0.00 N ATOM 793 CA CYS A 57 5.727 -0.011 -1.778 1.00 0.00 C ATOM 794 C CYS A 57 6.158 -1.376 -2.291 1.00 0.00 C ATOM 795 O CYS A 57 7.270 -1.536 -2.764 1.00 0.00 O ATOM 796 CB CYS A 57 5.185 0.804 -2.951 1.00 0.00 C ATOM 797 SG CYS A 57 3.636 0.073 -3.534 1.00 0.00 S ATOM 0 H CYS A 57 7.092 1.610 -1.536 1.00 0.00 H new ATOM 0 HA CYS A 57 4.951 -0.111 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.019 1.836 -2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.915 0.826 -3.760 1.00 0.00 H new ATOM 802 N THR A 58 5.291 -2.351 -2.205 1.00 0.00 N ATOM 803 CA THR A 58 5.637 -3.719 -2.683 1.00 0.00 C ATOM 804 C THR A 58 5.454 -3.805 -4.200 1.00 0.00 C ATOM 805 O THR A 58 6.023 -4.655 -4.856 1.00 0.00 O ATOM 806 CB THR A 58 4.725 -4.740 -2.001 1.00 0.00 C ATOM 807 OG1 THR A 58 3.755 -4.058 -1.220 1.00 0.00 O ATOM 808 CG2 THR A 58 5.560 -5.650 -1.099 1.00 0.00 C ATOM 0 H THR A 58 4.351 -2.255 -1.821 1.00 0.00 H new ATOM 0 HA THR A 58 6.677 -3.932 -2.437 1.00 0.00 H new ATOM 0 HB THR A 58 4.224 -5.343 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.502 -4.614 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.909 -6.377 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.305 -6.173 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.062 -5.049 -0.341 1.00 0.00 H new ATOM 816 N GLY A 59 4.662 -2.937 -4.765 1.00 0.00 N ATOM 817 CA GLY A 59 4.443 -2.977 -6.239 1.00 0.00 C ATOM 818 C GLY A 59 3.001 -3.393 -6.520 1.00 0.00 C ATOM 819 O GLY A 59 2.442 -3.082 -7.553 1.00 0.00 O ATOM 0 H GLY A 59 4.157 -2.202 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.644 -1.999 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.134 -3.681 -6.703 1.00 0.00 H new ATOM 823 N GLN A 60 2.395 -4.097 -5.606 1.00 0.00 N ATOM 824 CA GLN A 60 0.989 -4.537 -5.812 1.00 0.00 C ATOM 825 C GLN A 60 0.198 -4.322 -4.520 1.00 0.00 C ATOM 826 O GLN A 60 -0.947 -4.712 -4.411 1.00 0.00 O ATOM 827 CB GLN A 60 0.968 -6.021 -6.182 1.00 0.00 C ATOM 828 CG GLN A 60 2.101 -6.319 -7.166 1.00 0.00 C ATOM 829 CD GLN A 60 2.374 -7.824 -7.189 1.00 0.00 C ATOM 830 OE1 GLN A 60 1.956 -8.516 -8.096 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.065 -8.363 -6.222 1.00 0.00 N ATOM 0 H GLN A 60 2.815 -4.387 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 60 0.539 -3.957 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.081 -6.631 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.008 -6.282 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.831 -5.972 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.002 -5.780 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.416 -7.782 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.254 -9.365 -6.228 1.00 0.00 H new ATOM 840 N SER A 61 0.799 -3.705 -3.537 1.00 0.00 N ATOM 841 CA SER A 61 0.075 -3.472 -2.256 1.00 0.00 C ATOM 842 C SER A 61 -0.106 -1.970 -2.035 1.00 0.00 C ATOM 843 O SER A 61 0.826 -1.268 -1.692 1.00 0.00 O ATOM 844 CB SER A 61 0.884 -4.061 -1.101 1.00 0.00 C ATOM 845 OG SER A 61 0.075 -4.100 0.067 1.00 0.00 O ATOM 0 H SER A 61 1.756 -3.354 -3.567 1.00 0.00 H new ATOM 0 HA SER A 61 -0.903 -3.952 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.225 -5.065 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.774 -3.458 -0.921 1.00 0.00 H new ATOM 0 HG SER A 61 0.348 -3.384 0.678 1.00 0.00 H new ATOM 851 N ALA A 62 -1.296 -1.470 -2.222 1.00 0.00 N ATOM 852 CA ALA A 62 -1.530 -0.014 -2.014 1.00 0.00 C ATOM 853 C ALA A 62 -0.997 0.387 -0.640 1.00 0.00 C ATOM 854 O ALA A 62 -0.394 1.430 -0.475 1.00 0.00 O ATOM 855 CB ALA A 62 -3.029 0.280 -2.077 1.00 0.00 C ATOM 0 H ALA A 62 -2.115 -2.006 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.017 0.552 -2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.197 1.346 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.416 -0.013 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.543 -0.284 -1.299 1.00 0.00 H new ATOM 861 N ASP A 63 -1.213 -0.437 0.349 1.00 0.00 N ATOM 862 CA ASP A 63 -0.718 -0.110 1.713 1.00 0.00 C ATOM 863 C ASP A 63 0.754 -0.498 1.817 1.00 0.00 C ATOM 864 O ASP A 63 1.096 -1.647 2.016 1.00 0.00 O ATOM 865 CB ASP A 63 -1.529 -0.884 2.754 1.00 0.00 C ATOM 866 CG ASP A 63 -2.994 -0.451 2.684 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.326 0.297 1.778 1.00 0.00 O ATOM 868 OD2 ASP A 63 -3.758 -0.873 3.535 1.00 0.00 O ATOM 0 H ASP A 63 -1.712 -1.323 0.269 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.829 0.959 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.446 -1.955 2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.131 -0.699 3.752 1.00 0.00 H new ATOM 873 N CYS A 64 1.626 0.456 1.678 1.00 0.00 N ATOM 874 CA CYS A 64 3.080 0.161 1.759 1.00 0.00 C ATOM 875 C CYS A 64 3.374 -0.655 3.014 1.00 0.00 C ATOM 876 O CYS A 64 2.859 -0.370 4.077 1.00 0.00 O ATOM 877 CB CYS A 64 3.850 1.478 1.794 1.00 0.00 C ATOM 878 SG CYS A 64 4.243 1.979 0.103 1.00 0.00 S ATOM 0 H CYS A 64 1.393 1.435 1.511 1.00 0.00 H new ATOM 0 HA CYS A 64 3.389 -0.418 0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.256 2.248 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.765 1.363 2.374 1.00 0.00 H new ATOM 883 N PRO A 65 4.193 -1.659 2.841 1.00 0.00 N ATOM 884 CA PRO A 65 4.582 -2.559 3.930 1.00 0.00 C ATOM 885 C PRO A 65 5.642 -1.902 4.819 1.00 0.00 C ATOM 886 O PRO A 65 6.364 -1.020 4.397 1.00 0.00 O ATOM 887 CB PRO A 65 5.154 -3.770 3.196 1.00 0.00 C ATOM 888 CG PRO A 65 5.579 -3.288 1.794 1.00 0.00 C ATOM 889 CD PRO A 65 4.811 -1.988 1.535 1.00 0.00 C ATOM 0 HA PRO A 65 3.756 -2.817 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.006 -4.182 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.410 -4.563 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.655 -3.119 1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.343 -4.036 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.477 -1.193 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.056 -2.120 0.760 1.00 0.00 H new ATOM 897 N ARG A 66 5.739 -2.327 6.049 1.00 0.00 N ATOM 898 CA ARG A 66 6.748 -1.730 6.968 1.00 0.00 C ATOM 899 C ARG A 66 8.038 -2.552 6.917 1.00 0.00 C ATOM 900 O ARG A 66 8.193 -3.525 7.628 1.00 0.00 O ATOM 901 CB ARG A 66 6.198 -1.739 8.396 1.00 0.00 C ATOM 902 CG ARG A 66 5.609 -0.367 8.726 1.00 0.00 C ATOM 903 CD ARG A 66 6.035 0.043 10.137 1.00 0.00 C ATOM 904 NE ARG A 66 4.915 0.766 10.804 1.00 0.00 N ATOM 905 CZ ARG A 66 4.521 0.403 11.994 1.00 0.00 C ATOM 906 NH1 ARG A 66 5.367 0.388 12.986 1.00 0.00 N ATOM 907 NH2 ARG A 66 3.278 0.058 12.191 1.00 0.00 N ATOM 0 H ARG A 66 5.162 -3.063 6.457 1.00 0.00 H new ATOM 0 HA ARG A 66 6.958 -0.706 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.433 -2.509 8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.992 -1.984 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.952 0.372 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.522 -0.400 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.309 -0.839 10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.918 0.681 10.091 1.00 0.00 H new ATOM 0 HE ARG A 66 4.457 1.544 10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.338 0.660 12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.058 0.104 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.616 0.072 11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.969 -0.226 13.121 1.00 0.00 H new ATOM 921 N ASN A 67 8.966 -2.169 6.085 1.00 0.00 N ATOM 922 CA ASN A 67 10.245 -2.930 5.998 1.00 0.00 C ATOM 923 C ASN A 67 11.215 -2.417 7.065 1.00 0.00 C ATOM 924 O ASN A 67 12.382 -2.753 7.070 1.00 0.00 O ATOM 925 CB ASN A 67 10.864 -2.737 4.612 1.00 0.00 C ATOM 926 CG ASN A 67 10.749 -4.038 3.816 1.00 0.00 C ATOM 927 OD1 ASN A 67 10.415 -5.071 4.361 1.00 0.00 O ATOM 928 ND2 ASN A 67 11.013 -4.031 2.538 1.00 0.00 N ATOM 0 H ASN A 67 8.895 -1.364 5.463 1.00 0.00 H new ATOM 0 HA ASN A 67 10.048 -3.990 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.356 -1.929 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.911 -2.447 4.707 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.939 -4.893 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.293 -3.164 2.080 1.00 0.00 H new ATOM 935 N GLY A 68 10.739 -1.604 7.969 1.00 0.00 N ATOM 936 CA GLY A 68 11.632 -1.069 9.034 1.00 0.00 C ATOM 937 C GLY A 68 11.876 -2.149 10.088 1.00 0.00 C ATOM 938 O GLY A 68 11.653 -3.320 9.855 1.00 0.00 O ATOM 0 H GLY A 68 9.770 -1.288 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.580 -0.748 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.179 -0.192 9.496 1.00 0.00 H new