USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 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 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.6!) USER MOD Single : A 18 THR OG1 : rot -32:sc= 1.01 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.00086) USER MOD Single : A 35 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= -0.127 (180deg=-0.724) USER MOD Single : A 39 SER OG : rot 89:sc= 0.637 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -15.479 -6.258 1.301 1.00 0.00 N ATOM 31 CA GLU A 3 -16.380 -5.463 0.418 1.00 0.00 C ATOM 32 C GLU A 3 -16.089 -3.973 0.596 1.00 0.00 C ATOM 33 O GLU A 3 -16.808 -3.133 0.104 1.00 0.00 O ATOM 34 CB GLU A 3 -17.838 -5.746 0.787 1.00 0.00 C ATOM 35 CG GLU A 3 -18.116 -5.233 2.202 1.00 0.00 C ATOM 36 CD GLU A 3 -18.659 -6.374 3.063 1.00 0.00 C ATOM 37 OE1 GLU A 3 -19.519 -7.095 2.584 1.00 0.00 O ATOM 38 OE2 GLU A 3 -18.205 -6.508 4.188 1.00 0.00 O ATOM 0 HA GLU A 3 -16.207 -5.744 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -18.505 -5.260 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.037 -6.816 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.201 -4.835 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.835 -4.415 2.168 1.00 0.00 H new ATOM 45 N CYS A 4 -15.037 -3.641 1.292 1.00 0.00 N ATOM 46 CA CYS A 4 -14.694 -2.204 1.498 1.00 0.00 C ATOM 47 C CYS A 4 -13.220 -1.993 1.139 1.00 0.00 C ATOM 48 O CYS A 4 -12.333 -2.239 1.931 1.00 0.00 O ATOM 49 CB CYS A 4 -14.931 -1.829 2.964 1.00 0.00 C ATOM 50 SG CYS A 4 -16.714 -1.775 3.310 1.00 0.00 S ATOM 0 H CYS A 4 -14.397 -4.305 1.729 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.320 -1.575 0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -14.447 -2.556 3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.481 -0.859 3.177 1.00 0.00 H new ATOM 55 N ASP A 5 -12.959 -1.554 -0.061 1.00 0.00 N ATOM 56 CA ASP A 5 -11.553 -1.337 -0.501 1.00 0.00 C ATOM 57 C ASP A 5 -10.975 -0.089 0.175 1.00 0.00 C ATOM 58 O ASP A 5 -9.786 0.012 0.393 1.00 0.00 O ATOM 59 CB ASP A 5 -11.526 -1.157 -2.021 1.00 0.00 C ATOM 60 CG ASP A 5 -10.096 -1.340 -2.531 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.341 -0.385 -2.474 1.00 0.00 O ATOM 62 OD2 ASP A 5 -9.781 -2.434 -2.970 1.00 0.00 O ATOM 0 H ASP A 5 -13.667 -1.334 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.950 -2.200 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.188 -1.881 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.894 -0.166 -2.287 1.00 0.00 H new ATOM 67 N CYS A 6 -11.804 0.865 0.504 1.00 0.00 N ATOM 68 CA CYS A 6 -11.284 2.100 1.157 1.00 0.00 C ATOM 69 C CYS A 6 -11.829 2.198 2.583 1.00 0.00 C ATOM 70 O CYS A 6 -12.689 1.440 2.984 1.00 0.00 O ATOM 71 CB CYS A 6 -11.722 3.327 0.353 1.00 0.00 C ATOM 72 SG CYS A 6 -13.503 3.585 0.555 1.00 0.00 S ATOM 0 H CYS A 6 -12.812 0.843 0.350 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.195 2.059 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.177 4.208 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.482 3.188 -0.701 1.00 0.00 H new ATOM 77 N SER A 7 -11.331 3.127 3.353 1.00 0.00 N ATOM 78 CA SER A 7 -11.819 3.271 4.753 1.00 0.00 C ATOM 79 C SER A 7 -12.638 4.558 4.880 1.00 0.00 C ATOM 80 O SER A 7 -13.386 4.737 5.820 1.00 0.00 O ATOM 81 CB SER A 7 -10.624 3.332 5.705 1.00 0.00 C ATOM 82 OG SER A 7 -11.058 3.025 7.024 1.00 0.00 O ATOM 0 H SER A 7 -10.609 3.791 3.073 1.00 0.00 H new ATOM 0 HA SER A 7 -12.445 2.416 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.856 2.626 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.174 4.325 5.680 1.00 0.00 H new ATOM 0 HG SER A 7 -10.294 3.062 7.637 1.00 0.00 H new ATOM 88 N SER A 8 -12.502 5.455 3.943 1.00 0.00 N ATOM 89 CA SER A 8 -13.276 6.727 4.017 1.00 0.00 C ATOM 90 C SER A 8 -14.520 6.623 3.125 1.00 0.00 C ATOM 91 O SER A 8 -14.400 6.435 1.930 1.00 0.00 O ATOM 92 CB SER A 8 -12.397 7.881 3.531 1.00 0.00 C ATOM 93 OG SER A 8 -11.032 7.551 3.743 1.00 0.00 O ATOM 0 H SER A 8 -11.891 5.363 3.132 1.00 0.00 H new ATOM 0 HA SER A 8 -13.583 6.908 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.577 8.070 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 8 -12.649 8.796 4.066 1.00 0.00 H new ATOM 0 HG SER A 8 -10.465 8.287 3.431 1.00 0.00 H new ATOM 99 N PRO A 9 -15.679 6.752 3.726 1.00 0.00 N ATOM 100 CA PRO A 9 -16.957 6.677 2.997 1.00 0.00 C ATOM 101 C PRO A 9 -17.215 7.988 2.251 1.00 0.00 C ATOM 102 O PRO A 9 -18.187 8.128 1.536 1.00 0.00 O ATOM 103 CB PRO A 9 -17.993 6.458 4.103 1.00 0.00 C ATOM 104 CG PRO A 9 -17.350 6.976 5.410 1.00 0.00 C ATOM 105 CD PRO A 9 -15.827 6.984 5.178 1.00 0.00 C ATOM 0 HA PRO A 9 -16.980 5.889 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.915 6.996 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.252 5.403 4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.711 7.976 5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.610 6.334 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.384 7.934 5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.332 6.205 5.758 1.00 0.00 H new ATOM 113 N GLU A 10 -16.341 8.946 2.404 1.00 0.00 N ATOM 114 CA GLU A 10 -16.523 10.244 1.696 1.00 0.00 C ATOM 115 C GLU A 10 -15.523 10.324 0.541 1.00 0.00 C ATOM 116 O GLU A 10 -15.386 11.341 -0.109 1.00 0.00 O ATOM 117 CB GLU A 10 -16.277 11.399 2.671 1.00 0.00 C ATOM 118 CG GLU A 10 -17.208 12.564 2.328 1.00 0.00 C ATOM 119 CD GLU A 10 -17.295 13.517 3.521 1.00 0.00 C ATOM 120 OE1 GLU A 10 -16.290 14.132 3.837 1.00 0.00 O ATOM 121 OE2 GLU A 10 -18.364 13.615 4.100 1.00 0.00 O ATOM 0 H GLU A 10 -15.508 8.885 2.990 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.539 10.314 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.453 11.068 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.237 11.722 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.836 13.095 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.200 12.189 2.076 1.00 0.00 H new ATOM 128 N ASN A 11 -14.824 9.251 0.281 1.00 0.00 N ATOM 129 CA ASN A 11 -13.834 9.250 -0.830 1.00 0.00 C ATOM 130 C ASN A 11 -14.560 8.955 -2.149 1.00 0.00 C ATOM 131 O ASN A 11 -15.360 8.043 -2.218 1.00 0.00 O ATOM 132 CB ASN A 11 -12.792 8.160 -0.565 1.00 0.00 C ATOM 133 CG ASN A 11 -11.413 8.645 -1.015 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.157 9.832 -1.052 1.00 0.00 O ATOM 135 ND2 ASN A 11 -10.510 7.769 -1.358 1.00 0.00 N ATOM 0 H ASN A 11 -14.898 8.372 0.794 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.342 10.221 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.773 7.912 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.060 7.249 -1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.586 8.080 -1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.728 6.773 -1.326 1.00 0.00 H new ATOM 142 N PRO A 12 -14.268 9.738 -3.157 1.00 0.00 N ATOM 143 CA PRO A 12 -14.889 9.583 -4.484 1.00 0.00 C ATOM 144 C PRO A 12 -14.240 8.429 -5.255 1.00 0.00 C ATOM 145 O PRO A 12 -14.817 7.883 -6.174 1.00 0.00 O ATOM 146 CB PRO A 12 -14.606 10.922 -5.170 1.00 0.00 C ATOM 147 CG PRO A 12 -13.381 11.533 -4.448 1.00 0.00 C ATOM 148 CD PRO A 12 -13.295 10.847 -3.071 1.00 0.00 C ATOM 0 HA PRO A 12 -15.952 9.349 -4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.400 10.779 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.469 11.584 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.470 11.366 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.494 12.611 -4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.289 10.479 -2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.548 11.537 -2.266 1.00 0.00 H new ATOM 156 N CYS A 13 -13.041 8.060 -4.896 1.00 0.00 N ATOM 157 CA CYS A 13 -12.356 6.954 -5.616 1.00 0.00 C ATOM 158 C CYS A 13 -12.992 5.610 -5.252 1.00 0.00 C ATOM 159 O CYS A 13 -12.909 4.655 -5.999 1.00 0.00 O ATOM 160 CB CYS A 13 -10.874 6.938 -5.238 1.00 0.00 C ATOM 161 SG CYS A 13 -9.935 6.215 -6.602 1.00 0.00 S ATOM 0 H CYS A 13 -12.507 8.478 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.459 7.114 -6.689 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.525 7.950 -5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.723 6.359 -4.327 1.00 0.00 H new ATOM 166 N CYS A 14 -13.623 5.519 -4.114 1.00 0.00 N ATOM 167 CA CYS A 14 -14.251 4.225 -3.724 1.00 0.00 C ATOM 168 C CYS A 14 -15.744 4.432 -3.457 1.00 0.00 C ATOM 169 O CYS A 14 -16.137 5.291 -2.693 1.00 0.00 O ATOM 170 CB CYS A 14 -13.575 3.683 -2.463 1.00 0.00 C ATOM 171 SG CYS A 14 -14.021 4.710 -1.042 1.00 0.00 S ATOM 0 H CYS A 14 -13.731 6.278 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.127 3.509 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.882 2.652 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.493 3.676 -2.593 1.00 0.00 H new ATOM 176 N ASP A 15 -16.574 3.646 -4.083 1.00 0.00 N ATOM 177 CA ASP A 15 -18.042 3.780 -3.875 1.00 0.00 C ATOM 178 C ASP A 15 -18.366 3.644 -2.391 1.00 0.00 C ATOM 179 O ASP A 15 -17.990 2.679 -1.754 1.00 0.00 O ATOM 180 CB ASP A 15 -18.764 2.671 -4.635 1.00 0.00 C ATOM 181 CG ASP A 15 -20.187 3.123 -4.969 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.662 4.043 -4.322 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.779 2.542 -5.863 1.00 0.00 O ATOM 0 H ASP A 15 -16.296 2.912 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.366 4.756 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.223 2.431 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.792 1.762 -4.034 1.00 0.00 H new ATOM 188 N ALA A 16 -19.074 4.593 -1.841 1.00 0.00 N ATOM 189 CA ALA A 16 -19.440 4.514 -0.400 1.00 0.00 C ATOM 190 C ALA A 16 -20.393 3.334 -0.192 1.00 0.00 C ATOM 191 O ALA A 16 -20.402 2.704 0.846 1.00 0.00 O ATOM 192 CB ALA A 16 -20.134 5.810 0.019 1.00 0.00 C ATOM 0 H ALA A 16 -19.415 5.421 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.543 4.373 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.403 5.754 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.460 6.652 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -21.035 5.950 -0.578 1.00 0.00 H new ATOM 198 N ALA A 17 -21.194 3.028 -1.178 1.00 0.00 N ATOM 199 CA ALA A 17 -22.142 1.887 -1.043 1.00 0.00 C ATOM 200 C ALA A 17 -21.344 0.595 -0.855 1.00 0.00 C ATOM 201 O ALA A 17 -21.443 -0.067 0.158 1.00 0.00 O ATOM 202 CB ALA A 17 -22.995 1.779 -2.308 1.00 0.00 C ATOM 0 H ALA A 17 -21.232 3.520 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.792 2.048 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.689 0.944 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.557 2.703 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.348 1.613 -3.170 1.00 0.00 H new ATOM 208 N THR A 18 -20.546 0.238 -1.824 1.00 0.00 N ATOM 209 CA THR A 18 -19.735 -1.004 -1.704 1.00 0.00 C ATOM 210 C THR A 18 -18.335 -0.647 -1.197 1.00 0.00 C ATOM 211 O THR A 18 -17.412 -1.425 -1.305 1.00 0.00 O ATOM 212 CB THR A 18 -19.630 -1.682 -3.073 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.847 -2.860 -2.958 1.00 0.00 O ATOM 214 CG2 THR A 18 -18.974 -0.726 -4.069 1.00 0.00 C ATOM 0 H THR A 18 -20.421 0.755 -2.695 1.00 0.00 H new ATOM 0 HA THR A 18 -20.213 -1.686 -1.001 1.00 0.00 H new ATOM 0 HB THR A 18 -20.628 -1.942 -3.427 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.163 -2.732 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.900 -1.210 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.577 0.177 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.976 -0.463 -3.718 1.00 0.00 H new ATOM 222 N CYS A 19 -18.181 0.535 -0.650 1.00 0.00 N ATOM 223 CA CYS A 19 -16.848 0.981 -0.125 1.00 0.00 C ATOM 224 C CYS A 19 -15.721 0.411 -0.982 1.00 0.00 C ATOM 225 O CYS A 19 -14.664 0.085 -0.486 1.00 0.00 O ATOM 226 CB CYS A 19 -16.647 0.514 1.324 1.00 0.00 C ATOM 227 SG CYS A 19 -17.571 -1.010 1.642 1.00 0.00 S ATOM 0 H CYS A 19 -18.930 1.219 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.827 2.070 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.587 0.348 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.975 1.294 2.011 1.00 0.00 H new ATOM 232 N LYS A 20 -15.929 0.288 -2.260 1.00 0.00 N ATOM 233 CA LYS A 20 -14.850 -0.266 -3.131 1.00 0.00 C ATOM 234 C LYS A 20 -14.570 0.702 -4.279 1.00 0.00 C ATOM 235 O LYS A 20 -15.293 1.652 -4.493 1.00 0.00 O ATOM 236 CB LYS A 20 -15.287 -1.614 -3.709 1.00 0.00 C ATOM 237 CG LYS A 20 -15.215 -2.702 -2.633 1.00 0.00 C ATOM 238 CD LYS A 20 -14.171 -3.745 -3.038 1.00 0.00 C ATOM 239 CE LYS A 20 -13.698 -4.508 -1.800 1.00 0.00 C ATOM 240 NZ LYS A 20 -13.604 -5.962 -2.121 1.00 0.00 N ATOM 0 H LYS A 20 -16.792 0.544 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.948 -0.401 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.304 -1.540 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.647 -1.882 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.952 -2.262 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.190 -3.174 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.597 -4.438 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.325 -3.258 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.727 -4.132 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.392 -4.350 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.282 -6.483 -1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.539 -6.315 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.925 -6.103 -2.896 1.00 0.00 H new ATOM 254 N LEU A 21 -13.526 0.467 -5.025 1.00 0.00 N ATOM 255 CA LEU A 21 -13.209 1.374 -6.161 1.00 0.00 C ATOM 256 C LEU A 21 -14.350 1.332 -7.179 1.00 0.00 C ATOM 257 O LEU A 21 -14.635 0.307 -7.766 1.00 0.00 O ATOM 258 CB LEU A 21 -11.905 0.921 -6.824 1.00 0.00 C ATOM 259 CG LEU A 21 -10.719 1.362 -5.964 1.00 0.00 C ATOM 260 CD1 LEU A 21 -9.707 0.220 -5.859 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.049 2.578 -6.607 1.00 0.00 C ATOM 0 H LEU A 21 -12.881 -0.312 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.092 2.394 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.901 -0.163 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.824 1.350 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.073 1.624 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.863 0.537 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.183 -0.647 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.352 -0.045 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.204 2.893 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.697 2.314 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.768 3.394 -6.680 1.00 0.00 H new ATOM 273 N ARG A 22 -15.011 2.438 -7.386 1.00 0.00 N ATOM 274 CA ARG A 22 -16.140 2.464 -8.357 1.00 0.00 C ATOM 275 C ARG A 22 -15.591 2.484 -9.795 1.00 0.00 C ATOM 276 O ARG A 22 -15.992 1.679 -10.612 1.00 0.00 O ATOM 277 CB ARG A 22 -17.016 3.700 -8.080 1.00 0.00 C ATOM 278 CG ARG A 22 -17.671 4.205 -9.370 1.00 0.00 C ATOM 279 CD ARG A 22 -18.812 5.162 -9.020 1.00 0.00 C ATOM 280 NE ARG A 22 -18.334 6.159 -8.021 1.00 0.00 N ATOM 281 CZ ARG A 22 -17.992 7.357 -8.408 1.00 0.00 C ATOM 282 NH1 ARG A 22 -17.253 7.514 -9.471 1.00 0.00 N ATOM 283 NH2 ARG A 22 -18.389 8.400 -7.730 1.00 0.00 N ATOM 0 H ARG A 22 -14.817 3.326 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.752 1.569 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.786 3.449 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.408 4.491 -7.642 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.933 4.713 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.052 3.365 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.163 5.670 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.658 4.605 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.274 5.905 -7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.942 6.700 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.986 8.451 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.966 8.278 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.122 9.337 -8.032 1.00 0.00 H new ATOM 297 N PRO A 23 -14.692 3.398 -10.065 1.00 0.00 N ATOM 298 CA PRO A 23 -14.082 3.529 -11.401 1.00 0.00 C ATOM 299 C PRO A 23 -13.020 2.447 -11.612 1.00 0.00 C ATOM 300 O PRO A 23 -12.959 1.475 -10.886 1.00 0.00 O ATOM 301 CB PRO A 23 -13.448 4.922 -11.373 1.00 0.00 C ATOM 302 CG PRO A 23 -13.234 5.273 -9.882 1.00 0.00 C ATOM 303 CD PRO A 23 -14.198 4.380 -9.078 1.00 0.00 C ATOM 0 HA PRO A 23 -14.799 3.411 -12.213 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.502 4.929 -11.914 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.096 5.654 -11.855 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.201 5.093 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.439 6.328 -9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.688 3.889 -8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -15.016 4.961 -8.651 1.00 0.00 H new ATOM 311 N GLY A 24 -12.181 2.609 -12.600 1.00 0.00 N ATOM 312 CA GLY A 24 -11.125 1.589 -12.854 1.00 0.00 C ATOM 313 C GLY A 24 -9.871 1.943 -12.052 1.00 0.00 C ATOM 314 O GLY A 24 -8.769 1.577 -12.409 1.00 0.00 O ATOM 0 H GLY A 24 -12.182 3.403 -13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.484 0.600 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.890 1.550 -13.918 1.00 0.00 H new ATOM 318 N ALA A 25 -10.032 2.654 -10.971 1.00 0.00 N ATOM 319 CA ALA A 25 -8.854 3.034 -10.145 1.00 0.00 C ATOM 320 C ALA A 25 -8.350 1.805 -9.379 1.00 0.00 C ATOM 321 O ALA A 25 -9.118 1.080 -8.778 1.00 0.00 O ATOM 322 CB ALA A 25 -9.264 4.133 -9.160 1.00 0.00 C ATOM 0 H ALA A 25 -10.931 2.989 -10.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.055 3.405 -10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.405 4.416 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.619 5.003 -9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.060 3.764 -8.514 1.00 0.00 H new ATOM 328 N GLN A 26 -7.066 1.558 -9.404 1.00 0.00 N ATOM 329 CA GLN A 26 -6.518 0.371 -8.687 1.00 0.00 C ATOM 330 C GLN A 26 -6.601 0.585 -7.179 1.00 0.00 C ATOM 331 O GLN A 26 -6.434 -0.335 -6.404 1.00 0.00 O ATOM 332 CB GLN A 26 -5.050 0.184 -9.071 1.00 0.00 C ATOM 333 CG GLN A 26 -4.911 0.171 -10.591 1.00 0.00 C ATOM 334 CD GLN A 26 -4.464 -1.217 -11.051 1.00 0.00 C ATOM 335 OE1 GLN A 26 -3.492 -1.748 -10.556 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.139 -1.830 -11.986 1.00 0.00 N ATOM 0 H GLN A 26 -6.374 2.128 -9.890 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.099 -0.508 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.449 0.989 -8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.671 -0.749 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.862 0.431 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.186 0.921 -10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.956 -1.383 -12.402 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.849 -2.756 -12.301 1.00 0.00 H new ATOM 345 N CYS A 27 -6.832 1.792 -6.750 1.00 0.00 N ATOM 346 CA CYS A 27 -6.892 2.051 -5.289 1.00 0.00 C ATOM 347 C CYS A 27 -7.705 3.310 -5.014 1.00 0.00 C ATOM 348 O CYS A 27 -7.680 4.260 -5.772 1.00 0.00 O ATOM 349 CB CYS A 27 -5.474 2.255 -4.776 1.00 0.00 C ATOM 350 SG CYS A 27 -4.691 3.557 -5.749 1.00 0.00 S ATOM 0 H CYS A 27 -6.981 2.607 -7.345 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.364 1.206 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.489 2.528 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.906 1.329 -4.857 1.00 0.00 H new ATOM 355 N GLY A 28 -8.414 3.329 -3.924 1.00 0.00 N ATOM 356 CA GLY A 28 -9.213 4.529 -3.583 1.00 0.00 C ATOM 357 C GLY A 28 -8.454 5.330 -2.529 1.00 0.00 C ATOM 358 O GLY A 28 -8.376 6.540 -2.587 1.00 0.00 O ATOM 0 H GLY A 28 -8.473 2.562 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.382 5.137 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.193 4.237 -3.205 1.00 0.00 H new ATOM 362 N GLU A 29 -7.889 4.654 -1.570 1.00 0.00 N ATOM 363 CA GLU A 29 -7.128 5.363 -0.509 1.00 0.00 C ATOM 364 C GLU A 29 -5.995 4.459 -0.010 1.00 0.00 C ATOM 365 O GLU A 29 -6.145 3.257 0.078 1.00 0.00 O ATOM 366 CB GLU A 29 -8.074 5.701 0.643 1.00 0.00 C ATOM 367 CG GLU A 29 -7.308 6.458 1.726 1.00 0.00 C ATOM 368 CD GLU A 29 -6.810 5.472 2.785 1.00 0.00 C ATOM 369 OE1 GLU A 29 -7.599 5.102 3.639 1.00 0.00 O ATOM 370 OE2 GLU A 29 -5.648 5.105 2.723 1.00 0.00 O ATOM 0 H GLU A 29 -7.922 3.639 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.701 6.284 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.905 6.306 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.502 4.788 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.465 6.990 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.953 7.207 2.186 1.00 0.00 H new ATOM 377 N GLY A 30 -4.863 5.022 0.319 1.00 0.00 N ATOM 378 CA GLY A 30 -3.738 4.178 0.813 1.00 0.00 C ATOM 379 C GLY A 30 -2.413 4.929 0.659 1.00 0.00 C ATOM 380 O GLY A 30 -2.370 6.041 0.170 1.00 0.00 O ATOM 0 H GLY A 30 -4.670 6.022 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.899 3.919 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.702 3.242 0.255 1.00 0.00 H new ATOM 384 N LEU A 31 -1.331 4.326 1.076 1.00 0.00 N ATOM 385 CA LEU A 31 -0.004 4.998 0.960 1.00 0.00 C ATOM 386 C LEU A 31 0.576 4.755 -0.434 1.00 0.00 C ATOM 387 O LEU A 31 1.058 5.661 -1.084 1.00 0.00 O ATOM 388 CB LEU A 31 0.950 4.426 2.012 1.00 0.00 C ATOM 389 CG LEU A 31 0.720 5.132 3.348 1.00 0.00 C ATOM 390 CD1 LEU A 31 1.343 4.308 4.477 1.00 0.00 C ATOM 391 CD2 LEU A 31 1.374 6.515 3.309 1.00 0.00 C ATOM 0 H LEU A 31 -1.309 3.395 1.493 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.127 6.069 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.786 3.354 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.983 4.559 1.692 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.351 5.237 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.178 4.812 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.881 3.321 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.414 4.203 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.212 7.021 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.444 6.407 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.932 7.104 2.505 1.00 0.00 H new ATOM 403 N CYS A 32 0.531 3.536 -0.901 1.00 0.00 N ATOM 404 CA CYS A 32 1.082 3.236 -2.254 1.00 0.00 C ATOM 405 C CYS A 32 0.052 3.612 -3.319 1.00 0.00 C ATOM 406 O CYS A 32 0.213 3.309 -4.483 1.00 0.00 O ATOM 407 CB CYS A 32 1.395 1.742 -2.367 1.00 0.00 C ATOM 408 SG CYS A 32 2.033 1.133 -0.787 1.00 0.00 S ATOM 0 H CYS A 32 0.137 2.736 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 32 1.995 3.812 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.496 1.192 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.128 1.572 -3.156 1.00 0.00 H new ATOM 413 N CYS A 33 -1.011 4.262 -2.932 1.00 0.00 N ATOM 414 CA CYS A 33 -2.044 4.640 -3.933 1.00 0.00 C ATOM 415 C CYS A 33 -1.746 6.031 -4.496 1.00 0.00 C ATOM 416 O CYS A 33 -1.794 7.023 -3.795 1.00 0.00 O ATOM 417 CB CYS A 33 -3.424 4.637 -3.273 1.00 0.00 C ATOM 418 SG CYS A 33 -4.654 5.130 -4.494 1.00 0.00 S ATOM 0 H CYS A 33 -1.207 4.546 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.030 3.917 -4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.654 3.645 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.438 5.322 -2.425 1.00 0.00 H new ATOM 423 N GLU A 34 -1.449 6.110 -5.766 1.00 0.00 N ATOM 424 CA GLU A 34 -1.158 7.431 -6.392 1.00 0.00 C ATOM 425 C GLU A 34 -2.088 7.621 -7.594 1.00 0.00 C ATOM 426 O GLU A 34 -2.177 6.772 -8.458 1.00 0.00 O ATOM 427 CB GLU A 34 0.299 7.469 -6.858 1.00 0.00 C ATOM 428 CG GLU A 34 0.641 8.876 -7.354 1.00 0.00 C ATOM 429 CD GLU A 34 1.904 8.821 -8.217 1.00 0.00 C ATOM 430 OE1 GLU A 34 2.008 7.911 -9.024 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.745 9.689 -8.057 1.00 0.00 O ATOM 0 H GLU A 34 -1.395 5.312 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.320 8.229 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.961 7.190 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.456 6.743 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.190 9.281 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.796 9.544 -6.507 1.00 0.00 H new ATOM 438 N GLN A 35 -2.794 8.718 -7.651 1.00 0.00 N ATOM 439 CA GLN A 35 -3.725 8.937 -8.793 1.00 0.00 C ATOM 440 C GLN A 35 -4.770 7.820 -8.791 1.00 0.00 C ATOM 441 O GLN A 35 -5.333 7.474 -9.810 1.00 0.00 O ATOM 442 CB GLN A 35 -2.943 8.905 -10.109 1.00 0.00 C ATOM 443 CG GLN A 35 -2.285 10.265 -10.346 1.00 0.00 C ATOM 444 CD GLN A 35 -3.343 11.276 -10.787 1.00 0.00 C ATOM 445 OE1 GLN A 35 -3.722 12.147 -10.028 1.00 0.00 O ATOM 446 NE2 GLN A 35 -3.840 11.201 -11.991 1.00 0.00 N ATOM 0 H GLN A 35 -2.766 9.468 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.213 9.906 -8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.184 8.123 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.611 8.664 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.797 10.608 -9.434 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.511 10.178 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.523 10.471 -12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.545 11.872 -12.294 1.00 0.00 H new ATOM 455 N CYS A 36 -5.019 7.247 -7.644 1.00 0.00 N ATOM 456 CA CYS A 36 -6.014 6.144 -7.552 1.00 0.00 C ATOM 457 C CYS A 36 -5.528 4.947 -8.372 1.00 0.00 C ATOM 458 O CYS A 36 -6.295 4.293 -9.050 1.00 0.00 O ATOM 459 CB CYS A 36 -7.364 6.602 -8.093 1.00 0.00 C ATOM 460 SG CYS A 36 -8.311 7.400 -6.778 1.00 0.00 S ATOM 0 H CYS A 36 -4.572 7.499 -6.762 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.125 5.859 -6.506 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.218 7.296 -8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.917 5.749 -8.486 1.00 0.00 H new ATOM 465 N LYS A 37 -4.263 4.652 -8.304 1.00 0.00 N ATOM 466 CA LYS A 37 -3.718 3.498 -9.062 1.00 0.00 C ATOM 467 C LYS A 37 -2.582 2.881 -8.250 1.00 0.00 C ATOM 468 O LYS A 37 -2.108 3.461 -7.294 1.00 0.00 O ATOM 469 CB LYS A 37 -3.177 3.978 -10.410 1.00 0.00 C ATOM 470 CG LYS A 37 -4.327 4.095 -11.411 1.00 0.00 C ATOM 471 CD LYS A 37 -4.104 5.314 -12.308 1.00 0.00 C ATOM 472 CE LYS A 37 -4.661 5.031 -13.704 1.00 0.00 C ATOM 473 NZ LYS A 37 -3.833 3.985 -14.366 1.00 0.00 N ATOM 0 H LYS A 37 -3.578 5.166 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.502 2.761 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.684 4.943 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.427 3.280 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.388 3.191 -12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.275 4.189 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.595 6.188 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.040 5.544 -12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.697 4.699 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.658 5.943 -14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.830 4.143 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.859 4.034 -14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.231 3.046 -14.161 1.00 0.00 H new ATOM 487 N PHE A 38 -2.135 1.717 -8.619 1.00 0.00 N ATOM 488 CA PHE A 38 -1.023 1.089 -7.858 1.00 0.00 C ATOM 489 C PHE A 38 0.287 1.751 -8.273 1.00 0.00 C ATOM 490 O PHE A 38 0.725 1.626 -9.399 1.00 0.00 O ATOM 491 CB PHE A 38 -0.963 -0.405 -8.177 1.00 0.00 C ATOM 492 CG PHE A 38 -2.096 -1.142 -7.490 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.964 -0.469 -6.616 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.273 -2.510 -7.730 1.00 0.00 C ATOM 495 CE1 PHE A 38 -4.001 -1.166 -5.985 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.310 -3.205 -7.099 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.174 -2.533 -6.226 1.00 0.00 C ATOM 0 H PHE A 38 -2.488 1.176 -9.408 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.185 1.219 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.025 -0.555 -9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.006 -0.814 -7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.832 0.587 -6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.608 -3.030 -8.404 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.668 -0.648 -5.312 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.444 -4.260 -7.285 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.974 -3.070 -5.739 1.00 0.00 H new ATOM 507 N SER A 39 0.911 2.460 -7.375 1.00 0.00 N ATOM 508 CA SER A 39 2.191 3.136 -7.720 1.00 0.00 C ATOM 509 C SER A 39 3.222 2.079 -8.137 1.00 0.00 C ATOM 510 O SER A 39 2.962 1.257 -8.992 1.00 0.00 O ATOM 511 CB SER A 39 2.691 3.914 -6.501 1.00 0.00 C ATOM 512 OG SER A 39 1.609 4.632 -5.923 1.00 0.00 O ATOM 0 H SER A 39 0.590 2.600 -6.417 1.00 0.00 H new ATOM 0 HA SER A 39 2.040 3.830 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.120 3.229 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.483 4.603 -6.795 1.00 0.00 H new ATOM 0 HG SER A 39 1.162 4.069 -5.257 1.00 0.00 H new ATOM 518 N ARG A 40 4.388 2.082 -7.551 1.00 0.00 N ATOM 519 CA ARG A 40 5.404 1.068 -7.937 1.00 0.00 C ATOM 520 C ARG A 40 6.026 0.465 -6.677 1.00 0.00 C ATOM 521 O ARG A 40 5.982 1.048 -5.612 1.00 0.00 O ATOM 522 CB ARG A 40 6.495 1.734 -8.777 1.00 0.00 C ATOM 523 CG ARG A 40 5.944 2.058 -10.168 1.00 0.00 C ATOM 524 CD ARG A 40 5.965 0.796 -11.031 1.00 0.00 C ATOM 525 NE ARG A 40 5.868 1.174 -12.469 1.00 0.00 N ATOM 526 CZ ARG A 40 4.926 0.665 -13.213 1.00 0.00 C ATOM 527 NH1 ARG A 40 4.623 -0.600 -13.107 1.00 0.00 N ATOM 528 NH2 ARG A 40 4.286 1.419 -14.063 1.00 0.00 N ATOM 0 H ARG A 40 4.678 2.739 -6.827 1.00 0.00 H new ATOM 0 HA ARG A 40 4.928 0.279 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.838 2.646 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.358 1.073 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.926 2.440 -10.088 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.542 2.841 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.883 0.236 -10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.136 0.143 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 40 6.538 1.830 -12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.123 -1.190 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.886 -0.998 -13.689 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.522 2.408 -14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.549 1.020 -14.645 1.00 0.00 H new ATOM 542 N ALA A 41 6.609 -0.698 -6.788 1.00 0.00 N ATOM 543 CA ALA A 41 7.235 -1.335 -5.597 1.00 0.00 C ATOM 544 C ALA A 41 8.487 -0.563 -5.210 1.00 0.00 C ATOM 545 O ALA A 41 9.052 0.173 -5.995 1.00 0.00 O ATOM 546 CB ALA A 41 7.598 -2.787 -5.918 1.00 0.00 C ATOM 0 H ALA A 41 6.678 -1.234 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 41 6.531 -1.321 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.056 -3.249 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.696 -3.336 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.301 -2.811 -6.751 1.00 0.00 H new ATOM 552 N GLY A 42 8.908 -0.707 -3.991 1.00 0.00 N ATOM 553 CA GLY A 42 10.101 0.032 -3.520 1.00 0.00 C ATOM 554 C GLY A 42 9.730 1.507 -3.433 1.00 0.00 C ATOM 555 O GLY A 42 10.576 2.378 -3.465 1.00 0.00 O ATOM 0 H GLY A 42 8.472 -1.311 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.421 -0.340 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.935 -0.112 -4.206 1.00 0.00 H new ATOM 559 N LYS A 43 8.464 1.789 -3.321 1.00 0.00 N ATOM 560 CA LYS A 43 8.026 3.208 -3.231 1.00 0.00 C ATOM 561 C LYS A 43 8.135 3.670 -1.778 1.00 0.00 C ATOM 562 O LYS A 43 7.705 2.987 -0.868 1.00 0.00 O ATOM 563 CB LYS A 43 6.572 3.324 -3.750 1.00 0.00 C ATOM 564 CG LYS A 43 5.649 4.001 -2.715 1.00 0.00 C ATOM 565 CD LYS A 43 5.854 5.516 -2.768 1.00 0.00 C ATOM 566 CE LYS A 43 4.555 6.223 -2.376 1.00 0.00 C ATOM 567 NZ LYS A 43 4.545 7.599 -2.953 1.00 0.00 N ATOM 0 H LYS A 43 7.714 1.099 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 43 8.661 3.846 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.561 3.897 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.189 2.331 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.608 3.756 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.870 3.628 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.657 5.808 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.156 5.818 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.697 5.658 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.468 6.271 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.662 8.081 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.356 8.136 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.609 7.541 -3.989 1.00 0.00 H new ATOM 581 N ILE A 44 8.683 4.826 -1.549 1.00 0.00 N ATOM 582 CA ILE A 44 8.785 5.318 -0.154 1.00 0.00 C ATOM 583 C ILE A 44 7.375 5.585 0.373 1.00 0.00 C ATOM 584 O ILE A 44 6.668 6.450 -0.106 1.00 0.00 O ATOM 585 CB ILE A 44 9.637 6.594 -0.115 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.089 6.202 0.142 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.171 7.506 1.021 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.160 5.448 1.470 1.00 0.00 C ATOM 0 H ILE A 44 9.062 5.448 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 44 9.267 4.572 0.477 1.00 0.00 H new ATOM 0 HB ILE A 44 9.539 7.121 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.462 5.577 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.721 7.090 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.783 8.408 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.127 7.779 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.270 6.982 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.192 5.160 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.801 6.091 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.538 4.555 1.415 1.00 0.00 H new ATOM 600 N CYS A 45 6.972 4.851 1.363 1.00 0.00 N ATOM 601 CA CYS A 45 5.615 5.053 1.940 1.00 0.00 C ATOM 602 C CYS A 45 5.760 5.574 3.360 1.00 0.00 C ATOM 603 O CYS A 45 4.851 6.149 3.924 1.00 0.00 O ATOM 604 CB CYS A 45 4.838 3.735 1.960 1.00 0.00 C ATOM 605 SG CYS A 45 5.976 2.329 2.067 1.00 0.00 S ATOM 0 H CYS A 45 7.524 4.115 1.803 1.00 0.00 H new ATOM 0 HA CYS A 45 5.068 5.769 1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.154 3.722 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.230 3.651 1.059 1.00 0.00 H new ATOM 610 N ARG A 46 6.904 5.374 3.939 1.00 0.00 N ATOM 611 CA ARG A 46 7.124 5.857 5.327 1.00 0.00 C ATOM 612 C ARG A 46 8.621 5.984 5.599 1.00 0.00 C ATOM 613 O ARG A 46 9.440 5.846 4.713 1.00 0.00 O ATOM 614 CB ARG A 46 6.506 4.866 6.316 1.00 0.00 C ATOM 615 CG ARG A 46 5.094 5.324 6.684 1.00 0.00 C ATOM 616 CD ARG A 46 4.558 4.457 7.826 1.00 0.00 C ATOM 617 NE ARG A 46 3.115 4.165 7.595 1.00 0.00 N ATOM 618 CZ ARG A 46 2.241 4.402 8.535 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.535 4.144 9.780 1.00 0.00 N ATOM 620 NH2 ARG A 46 1.072 4.895 8.229 1.00 0.00 N ATOM 0 H ARG A 46 7.698 4.897 3.513 1.00 0.00 H new ATOM 0 HA ARG A 46 6.654 6.833 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.473 3.869 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.123 4.798 7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.107 6.372 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.438 5.248 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.123 3.527 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.688 4.971 8.778 1.00 0.00 H new ATOM 0 HE ARG A 46 2.810 3.779 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.448 3.757 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.852 4.329 10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.842 5.095 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.389 5.080 8.963 1.00 0.00 H new ATOM 634 N ILE A 47 8.980 6.253 6.821 1.00 0.00 N ATOM 635 CA ILE A 47 10.421 6.399 7.161 1.00 0.00 C ATOM 636 C ILE A 47 10.808 5.310 8.161 1.00 0.00 C ATOM 637 O ILE A 47 9.968 4.602 8.678 1.00 0.00 O ATOM 638 CB ILE A 47 10.682 7.780 7.782 1.00 0.00 C ATOM 639 CG1 ILE A 47 9.503 8.723 7.509 1.00 0.00 C ATOM 640 CG2 ILE A 47 11.949 8.375 7.170 1.00 0.00 C ATOM 641 CD1 ILE A 47 8.513 8.656 8.674 1.00 0.00 C ATOM 0 H ILE A 47 8.336 6.379 7.602 1.00 0.00 H new ATOM 0 HA ILE A 47 11.017 6.303 6.254 1.00 0.00 H new ATOM 0 HB ILE A 47 10.801 7.665 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.863 9.744 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.007 8.442 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.139 9.355 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.794 7.717 7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.819 8.477 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.676 9.326 8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.144 7.636 8.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.013 8.958 9.594 1.00 0.00 H new ATOM 653 N ALA A 48 12.073 5.169 8.437 1.00 0.00 N ATOM 654 CA ALA A 48 12.510 4.124 9.403 1.00 0.00 C ATOM 655 C ALA A 48 12.679 4.747 10.789 1.00 0.00 C ATOM 656 O ALA A 48 13.361 5.740 10.954 1.00 0.00 O ATOM 657 CB ALA A 48 13.845 3.535 8.946 1.00 0.00 C ATOM 0 H ALA A 48 12.823 5.732 8.036 1.00 0.00 H new ATOM 0 HA ALA A 48 11.759 3.336 9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.166 2.770 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.727 3.090 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.595 4.325 8.901 1.00 0.00 H new ATOM 663 N ARG A 49 12.068 4.172 11.787 1.00 0.00 N ATOM 664 CA ARG A 49 12.204 4.733 13.160 1.00 0.00 C ATOM 665 C ARG A 49 13.580 4.367 13.713 1.00 0.00 C ATOM 666 O ARG A 49 13.725 3.438 14.481 1.00 0.00 O ATOM 667 CB ARG A 49 11.114 4.150 14.061 1.00 0.00 C ATOM 668 CG ARG A 49 9.809 4.916 13.840 1.00 0.00 C ATOM 669 CD ARG A 49 8.672 3.924 13.590 1.00 0.00 C ATOM 670 NE ARG A 49 8.493 3.063 14.793 1.00 0.00 N ATOM 671 CZ ARG A 49 7.316 2.948 15.342 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.454 2.094 14.864 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.001 3.688 16.371 1.00 0.00 N ATOM 0 H ARG A 49 11.482 3.340 11.712 1.00 0.00 H new ATOM 0 HA ARG A 49 12.099 5.817 13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.970 3.093 13.839 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.416 4.218 15.106 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.584 5.531 14.711 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.910 5.591 12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.748 4.460 13.372 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.896 3.309 12.719 1.00 0.00 H new ATOM 0 HE ARG A 49 9.291 2.564 15.187 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.701 1.516 14.061 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.533 2.004 15.294 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.676 4.356 16.745 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.080 3.598 16.801 1.00 0.00 H new ATOM 687 N GLY A 50 14.593 5.088 13.322 1.00 0.00 N ATOM 688 CA GLY A 50 15.966 4.780 13.813 1.00 0.00 C ATOM 689 C GLY A 50 16.970 5.060 12.695 1.00 0.00 C ATOM 690 O GLY A 50 17.318 6.193 12.432 1.00 0.00 O ATOM 0 H GLY A 50 14.530 5.880 12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.198 5.388 14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.030 3.737 14.123 1.00 0.00 H new ATOM 694 N ASP A 51 17.434 4.040 12.031 1.00 0.00 N ATOM 695 CA ASP A 51 18.411 4.261 10.928 1.00 0.00 C ATOM 696 C ASP A 51 18.781 2.924 10.281 1.00 0.00 C ATOM 697 O ASP A 51 19.898 2.460 10.389 1.00 0.00 O ATOM 698 CB ASP A 51 19.670 4.923 11.488 1.00 0.00 C ATOM 699 CG ASP A 51 19.709 6.389 11.056 1.00 0.00 C ATOM 700 OD1 ASP A 51 19.508 6.645 9.879 1.00 0.00 O ATOM 701 OD2 ASP A 51 19.938 7.232 11.907 1.00 0.00 O ATOM 0 H ASP A 51 17.181 3.067 12.202 1.00 0.00 H new ATOM 0 HA ASP A 51 17.961 4.909 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.678 4.853 12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.558 4.403 11.129 1.00 0.00 H new ATOM 706 N TRP A 52 17.856 2.308 9.596 1.00 0.00 N ATOM 707 CA TRP A 52 18.165 1.010 8.929 1.00 0.00 C ATOM 708 C TRP A 52 17.684 1.066 7.481 1.00 0.00 C ATOM 709 O TRP A 52 18.439 1.359 6.575 1.00 0.00 O ATOM 710 CB TRP A 52 17.471 -0.159 9.650 1.00 0.00 C ATOM 711 CG TRP A 52 16.559 0.345 10.723 1.00 0.00 C ATOM 712 CD1 TRP A 52 15.295 0.784 10.527 1.00 0.00 C ATOM 713 CD2 TRP A 52 16.816 0.460 12.153 1.00 0.00 C ATOM 714 NE1 TRP A 52 14.760 1.163 11.745 1.00 0.00 N ATOM 715 CE2 TRP A 52 15.659 0.982 12.777 1.00 0.00 C ATOM 716 CE3 TRP A 52 17.929 0.166 12.959 1.00 0.00 C ATOM 717 CZ2 TRP A 52 15.610 1.206 14.154 1.00 0.00 C ATOM 718 CZ3 TRP A 52 17.883 0.389 14.345 1.00 0.00 C ATOM 719 CH2 TRP A 52 16.725 0.907 14.941 1.00 0.00 C ATOM 0 H TRP A 52 16.902 2.646 9.469 1.00 0.00 H new ATOM 0 HA TRP A 52 19.242 0.847 8.965 1.00 0.00 H new ATOM 0 HB2 TRP A 52 16.903 -0.750 8.931 1.00 0.00 H new ATOM 0 HB3 TRP A 52 18.220 -0.821 10.085 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.787 0.831 9.575 1.00 0.00 H new ATOM 0 HE1 TRP A 52 13.817 1.531 11.866 1.00 0.00 H new ATOM 0 HE3 TRP A 52 18.826 -0.234 12.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.716 1.608 14.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 18.745 0.160 14.955 1.00 0.00 H new ATOM 0 HH2 TRP A 52 16.695 1.075 16.007 1.00 0.00 H new ATOM 730 N ASN A 53 16.435 0.787 7.259 1.00 0.00 N ATOM 731 CA ASN A 53 15.900 0.822 5.868 1.00 0.00 C ATOM 732 C ASN A 53 14.595 1.622 5.837 1.00 0.00 C ATOM 733 O ASN A 53 13.761 1.504 6.712 1.00 0.00 O ATOM 734 CB ASN A 53 15.635 -0.607 5.390 1.00 0.00 C ATOM 735 CG ASN A 53 16.543 -0.924 4.202 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.521 -0.241 3.970 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.259 -1.939 3.431 1.00 0.00 N ATOM 0 H ASN A 53 15.758 0.535 7.979 1.00 0.00 H new ATOM 0 HA ASN A 53 16.629 1.297 5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.819 -1.313 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.590 -0.717 5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.858 -2.158 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.438 -2.513 3.625 1.00 0.00 H new ATOM 744 N ASP A 54 14.413 2.435 4.832 1.00 0.00 N ATOM 745 CA ASP A 54 13.162 3.243 4.742 1.00 0.00 C ATOM 746 C ASP A 54 11.997 2.331 4.353 1.00 0.00 C ATOM 747 O ASP A 54 12.181 1.172 4.042 1.00 0.00 O ATOM 748 CB ASP A 54 13.332 4.330 3.678 1.00 0.00 C ATOM 749 CG ASP A 54 14.557 5.184 4.010 1.00 0.00 C ATOM 750 OD1 ASP A 54 15.620 4.615 4.197 1.00 0.00 O ATOM 751 OD2 ASP A 54 14.411 6.394 4.070 1.00 0.00 O ATOM 0 H ASP A 54 15.076 2.575 4.069 1.00 0.00 H new ATOM 0 HA ASP A 54 12.958 3.707 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.449 3.875 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.440 4.955 3.636 1.00 0.00 H new ATOM 756 N ASP A 55 10.797 2.844 4.367 1.00 0.00 N ATOM 757 CA ASP A 55 9.627 2.000 3.997 1.00 0.00 C ATOM 758 C ASP A 55 9.473 1.984 2.474 1.00 0.00 C ATOM 759 O ASP A 55 9.528 3.006 1.822 1.00 0.00 O ATOM 760 CB ASP A 55 8.359 2.567 4.639 1.00 0.00 C ATOM 761 CG ASP A 55 8.269 2.092 6.091 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.094 2.515 6.884 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.377 1.315 6.385 1.00 0.00 O ATOM 0 H ASP A 55 10.577 3.808 4.618 1.00 0.00 H new ATOM 0 HA ASP A 55 9.785 0.983 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.375 3.656 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.480 2.242 4.083 1.00 0.00 H new ATOM 768 N ARG A 56 9.286 0.825 1.904 1.00 0.00 N ATOM 769 CA ARG A 56 9.133 0.723 0.425 1.00 0.00 C ATOM 770 C ARG A 56 7.796 0.044 0.108 1.00 0.00 C ATOM 771 O ARG A 56 7.445 -0.960 0.696 1.00 0.00 O ATOM 772 CB ARG A 56 10.290 -0.115 -0.135 1.00 0.00 C ATOM 773 CG ARG A 56 11.282 0.792 -0.877 1.00 0.00 C ATOM 774 CD ARG A 56 12.234 1.486 0.091 1.00 0.00 C ATOM 775 NE ARG A 56 12.284 0.756 1.388 1.00 0.00 N ATOM 776 CZ ARG A 56 13.334 0.043 1.690 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.422 -1.194 1.287 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.299 0.568 2.392 1.00 0.00 N ATOM 0 H ARG A 56 9.232 -0.063 2.404 1.00 0.00 H new ATOM 0 HA ARG A 56 9.150 1.714 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.798 -0.637 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.904 -0.877 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.855 0.200 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.734 1.540 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.232 1.535 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.908 2.513 0.257 1.00 0.00 H new ATOM 0 HE ARG A 56 11.500 0.813 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.669 -1.605 0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.243 -1.750 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.233 1.536 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.120 0.010 2.628 1.00 0.00 H new ATOM 792 N CYS A 57 7.043 0.590 -0.810 1.00 0.00 N ATOM 793 CA CYS A 57 5.723 -0.018 -1.153 1.00 0.00 C ATOM 794 C CYS A 57 5.924 -1.223 -2.067 1.00 0.00 C ATOM 795 O CYS A 57 6.942 -1.359 -2.717 1.00 0.00 O ATOM 796 CB CYS A 57 4.853 1.007 -1.876 1.00 0.00 C ATOM 797 SG CYS A 57 3.881 1.933 -0.665 1.00 0.00 S ATOM 0 H CYS A 57 7.284 1.430 -1.337 1.00 0.00 H new ATOM 0 HA CYS A 57 5.235 -0.334 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.478 1.688 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.192 0.505 -2.582 1.00 0.00 H new ATOM 802 N THR A 58 4.944 -2.090 -2.118 1.00 0.00 N ATOM 803 CA THR A 58 5.043 -3.300 -2.986 1.00 0.00 C ATOM 804 C THR A 58 4.796 -2.916 -4.444 1.00 0.00 C ATOM 805 O THR A 58 5.228 -3.594 -5.355 1.00 0.00 O ATOM 806 CB THR A 58 3.997 -4.335 -2.553 1.00 0.00 C ATOM 807 OG1 THR A 58 3.754 -5.236 -3.624 1.00 0.00 O ATOM 808 CG2 THR A 58 2.695 -3.630 -2.174 1.00 0.00 C ATOM 0 H THR A 58 4.074 -2.010 -1.591 1.00 0.00 H new ATOM 0 HA THR A 58 6.042 -3.725 -2.887 1.00 0.00 H new ATOM 0 HB THR A 58 4.371 -4.885 -1.689 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.087 -5.899 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.956 -4.370 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.881 -2.940 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.318 -3.076 -3.033 1.00 0.00 H new ATOM 816 N GLY A 59 4.100 -1.838 -4.678 1.00 0.00 N ATOM 817 CA GLY A 59 3.830 -1.420 -6.082 1.00 0.00 C ATOM 818 C GLY A 59 2.557 -2.107 -6.588 1.00 0.00 C ATOM 819 O GLY A 59 1.889 -1.617 -7.476 1.00 0.00 O ATOM 0 H GLY A 59 3.707 -1.230 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.716 -0.337 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.675 -1.683 -6.719 1.00 0.00 H new ATOM 823 N GLN A 60 2.216 -3.238 -6.030 1.00 0.00 N ATOM 824 CA GLN A 60 0.989 -3.950 -6.484 1.00 0.00 C ATOM 825 C GLN A 60 -0.121 -3.769 -5.449 1.00 0.00 C ATOM 826 O GLN A 60 -1.260 -4.129 -5.676 1.00 0.00 O ATOM 827 CB GLN A 60 1.291 -5.443 -6.641 1.00 0.00 C ATOM 828 CG GLN A 60 2.719 -5.626 -7.158 1.00 0.00 C ATOM 829 CD GLN A 60 2.941 -7.092 -7.536 1.00 0.00 C ATOM 830 OE1 GLN A 60 2.626 -7.983 -6.771 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.476 -7.383 -8.690 1.00 0.00 N ATOM 0 H GLN A 60 2.734 -3.698 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 60 0.668 -3.538 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.172 -5.951 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.582 -5.897 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.888 -4.986 -8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.435 -5.324 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.741 -6.636 -9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.630 -8.357 -8.950 1.00 0.00 H new ATOM 840 N SER A 61 0.199 -3.215 -4.311 1.00 0.00 N ATOM 841 CA SER A 61 -0.845 -3.017 -3.263 1.00 0.00 C ATOM 842 C SER A 61 -0.987 -1.526 -2.951 1.00 0.00 C ATOM 843 O SER A 61 -0.152 -0.722 -3.315 1.00 0.00 O ATOM 844 CB SER A 61 -0.443 -3.768 -1.992 1.00 0.00 C ATOM 845 OG SER A 61 -1.610 -4.075 -1.239 1.00 0.00 O ATOM 0 H SER A 61 1.134 -2.892 -4.062 1.00 0.00 H new ATOM 0 HA SER A 61 -1.798 -3.402 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.089 -4.684 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.239 -3.160 -1.397 1.00 0.00 H new ATOM 0 HG SER A 61 -1.356 -4.558 -0.425 1.00 0.00 H new ATOM 851 N ALA A 62 -2.041 -1.151 -2.279 1.00 0.00 N ATOM 852 CA ALA A 62 -2.241 0.288 -1.943 1.00 0.00 C ATOM 853 C ALA A 62 -1.648 0.573 -0.563 1.00 0.00 C ATOM 854 O ALA A 62 -1.054 1.607 -0.332 1.00 0.00 O ATOM 855 CB ALA A 62 -3.737 0.606 -1.927 1.00 0.00 C ATOM 0 H ALA A 62 -2.773 -1.779 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.746 0.908 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.883 1.658 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.163 0.400 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.233 -0.013 -1.179 1.00 0.00 H new ATOM 861 N ASP A 63 -1.802 -0.340 0.356 1.00 0.00 N ATOM 862 CA ASP A 63 -1.246 -0.125 1.720 1.00 0.00 C ATOM 863 C ASP A 63 0.250 -0.430 1.700 1.00 0.00 C ATOM 864 O ASP A 63 0.698 -1.342 1.033 1.00 0.00 O ATOM 865 CB ASP A 63 -1.943 -1.060 2.711 1.00 0.00 C ATOM 866 CG ASP A 63 -2.276 -0.292 3.990 1.00 0.00 C ATOM 867 OD1 ASP A 63 -1.843 0.842 4.108 1.00 0.00 O ATOM 868 OD2 ASP A 63 -2.960 -0.852 4.832 1.00 0.00 O ATOM 0 H ASP A 63 -2.289 -1.226 0.220 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.409 0.909 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.854 -1.462 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.299 -1.909 2.941 1.00 0.00 H new ATOM 873 N CYS A 64 1.028 0.326 2.419 1.00 0.00 N ATOM 874 CA CYS A 64 2.493 0.074 2.430 1.00 0.00 C ATOM 875 C CYS A 64 2.817 -1.023 3.439 1.00 0.00 C ATOM 876 O CYS A 64 2.367 -0.985 4.568 1.00 0.00 O ATOM 877 CB CYS A 64 3.234 1.364 2.793 1.00 0.00 C ATOM 878 SG CYS A 64 4.963 0.986 3.173 1.00 0.00 S ATOM 0 H CYS A 64 0.714 1.105 2.998 1.00 0.00 H new ATOM 0 HA CYS A 64 2.814 -0.251 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.179 2.072 1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.758 1.839 3.651 1.00 0.00 H new ATOM 883 N PRO A 65 3.596 -1.973 2.991 1.00 0.00 N ATOM 884 CA PRO A 65 4.014 -3.108 3.817 1.00 0.00 C ATOM 885 C PRO A 65 5.147 -2.692 4.763 1.00 0.00 C ATOM 886 O PRO A 65 5.884 -1.765 4.492 1.00 0.00 O ATOM 887 CB PRO A 65 4.504 -4.126 2.788 1.00 0.00 C ATOM 888 CG PRO A 65 4.866 -3.340 1.512 1.00 0.00 C ATOM 889 CD PRO A 65 4.134 -2.000 1.611 1.00 0.00 C ATOM 0 HA PRO A 65 3.220 -3.498 4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.371 -4.669 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.731 -4.865 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.943 -3.190 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.560 -3.885 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.810 -1.164 1.432 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.336 -1.928 0.872 1.00 0.00 H new ATOM 897 N ARG A 66 5.292 -3.372 5.867 1.00 0.00 N ATOM 898 CA ARG A 66 6.378 -3.019 6.826 1.00 0.00 C ATOM 899 C ARG A 66 7.702 -3.596 6.321 1.00 0.00 C ATOM 900 O ARG A 66 7.926 -4.789 6.367 1.00 0.00 O ATOM 901 CB ARG A 66 6.054 -3.607 8.201 1.00 0.00 C ATOM 902 CG ARG A 66 6.941 -2.949 9.259 1.00 0.00 C ATOM 903 CD ARG A 66 6.162 -1.831 9.955 1.00 0.00 C ATOM 904 NE ARG A 66 6.076 -2.123 11.413 1.00 0.00 N ATOM 905 CZ ARG A 66 5.123 -2.888 11.871 1.00 0.00 C ATOM 906 NH1 ARG A 66 5.143 -4.170 11.630 1.00 0.00 N ATOM 907 NH2 ARG A 66 4.149 -2.370 12.569 1.00 0.00 N ATOM 0 H ARG A 66 4.705 -4.158 6.147 1.00 0.00 H new ATOM 0 HA ARG A 66 6.459 -1.935 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.003 -3.444 8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.216 -4.685 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.265 -3.690 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.841 -2.545 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.656 -0.873 9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.162 -1.750 9.529 1.00 0.00 H new ATOM 0 HE ARG A 66 6.762 -1.725 12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.903 -4.574 11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.398 -4.768 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.133 -1.367 12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.404 -2.968 12.927 1.00 0.00 H new ATOM 921 N ASN A 67 8.578 -2.761 5.834 1.00 0.00 N ATOM 922 CA ASN A 67 9.884 -3.265 5.319 1.00 0.00 C ATOM 923 C ASN A 67 11.023 -2.751 6.203 1.00 0.00 C ATOM 924 O ASN A 67 12.184 -2.874 5.869 1.00 0.00 O ATOM 925 CB ASN A 67 10.089 -2.766 3.888 1.00 0.00 C ATOM 926 CG ASN A 67 9.565 -3.810 2.900 1.00 0.00 C ATOM 927 OD1 ASN A 67 8.652 -4.551 3.206 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.109 -3.898 1.716 1.00 0.00 N ATOM 0 H ASN A 67 8.447 -1.752 5.770 1.00 0.00 H new ATOM 0 HA ASN A 67 9.881 -4.355 5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.567 -1.820 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.147 -2.577 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.767 -4.589 1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.875 -3.276 1.459 1.00 0.00 H new ATOM 935 N GLY A 68 10.704 -2.175 7.329 1.00 0.00 N ATOM 936 CA GLY A 68 11.773 -1.655 8.228 1.00 0.00 C ATOM 937 C GLY A 68 12.467 -2.824 8.930 1.00 0.00 C ATOM 938 O GLY A 68 12.695 -3.864 8.345 1.00 0.00 O ATOM 0 H GLY A 68 9.750 -2.042 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.499 -1.081 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.344 -0.977 8.966 1.00 0.00 H new