USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -59:sc= 0.23! USER MOD Single : A 18 LYS NZ :NH3+ -141:sc= 0.467 (180deg=0.000229) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.203 USER MOD Single : A 45 GLN : amide:sc= -2.31! K(o=-2.3!,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.59) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -4.01! C(o=-4!,f=-11!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -6.64! C(o=-6.6!,f=-8.8!) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.559 (180deg=-1.53) USER MOD Single : A 63 SER OG : rot -63:sc= -0.25 USER MOD Single : A 75 SER OG : rot -70:sc= 0.942 USER MOD Single : A 92 SER OG : rot 170:sc= -2.92! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.052 10.557 3.155 1.00 0.00 N ATOM 2 CA ALA A 1 -15.797 9.375 2.648 1.00 0.00 C ATOM 3 C ALA A 1 -16.049 9.481 1.148 1.00 0.00 C ATOM 4 O ALA A 1 -17.174 9.297 0.685 1.00 0.00 O ATOM 5 CB ALA A 1 -17.110 9.222 3.402 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.896 10.456 4.178 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.135 10.624 2.669 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.604 11.420 2.973 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.186 8.489 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.648 8.353 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.906 9.087 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.718 10.116 3.260 1.00 0.00 H new ATOM 13 N VAL A 2 -14.988 9.772 0.397 1.00 0.00 N ATOM 14 CA VAL A 2 -15.075 9.909 -1.056 1.00 0.00 C ATOM 15 C VAL A 2 -13.709 9.679 -1.711 1.00 0.00 C ATOM 16 O VAL A 2 -12.770 9.215 -1.064 1.00 0.00 O ATOM 17 CB VAL A 2 -15.580 11.315 -1.448 1.00 0.00 C ATOM 18 CG1 VAL A 2 -17.084 11.438 -1.250 1.00 0.00 C ATOM 19 CG2 VAL A 2 -14.838 12.382 -0.655 1.00 0.00 C ATOM 0 H VAL A 2 -14.052 9.918 0.774 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.780 9.156 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.376 11.466 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.408 12.439 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.594 10.701 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.329 11.262 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.204 13.368 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.008 12.227 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.771 12.316 -0.866 1.00 0.00 H new ATOM 29 N LEU A 3 -13.615 9.999 -3.001 1.00 0.00 N ATOM 30 CA LEU A 3 -12.399 9.830 -3.765 1.00 0.00 C ATOM 31 C LEU A 3 -11.317 10.808 -3.357 1.00 0.00 C ATOM 32 O LEU A 3 -11.563 11.767 -2.627 1.00 0.00 O ATOM 33 CB LEU A 3 -12.698 10.069 -5.249 1.00 0.00 C ATOM 34 CG LEU A 3 -12.825 8.822 -6.113 1.00 0.00 C ATOM 35 CD1 LEU A 3 -12.152 7.659 -5.425 1.00 0.00 C ATOM 36 CD2 LEU A 3 -14.289 8.509 -6.406 1.00 0.00 C ATOM 0 H LEU A 3 -14.390 10.384 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.044 8.817 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.626 10.636 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.907 10.695 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.331 9.002 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.244 6.767 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.097 7.888 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.628 7.481 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.353 7.614 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.820 8.341 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.742 9.348 -6.934 1.00 0.00 H new ATOM 48 N ASP A 4 -10.116 10.570 -3.877 1.00 0.00 N ATOM 49 CA ASP A 4 -9.002 11.439 -3.611 1.00 0.00 C ATOM 50 C ASP A 4 -9.129 12.676 -4.510 1.00 0.00 C ATOM 51 O ASP A 4 -10.188 13.301 -4.551 1.00 0.00 O ATOM 52 CB ASP A 4 -7.676 10.724 -3.856 1.00 0.00 C ATOM 53 CG ASP A 4 -6.483 11.514 -3.346 1.00 0.00 C ATOM 54 OD1 ASP A 4 -6.680 12.661 -2.890 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.353 10.990 -3.407 1.00 0.00 O ATOM 0 H ASP A 4 -9.902 9.779 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.015 11.739 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.697 9.750 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.557 10.543 -4.924 1.00 0.00 H new ATOM 60 N LEU A 5 -8.075 13.015 -5.258 1.00 0.00 N ATOM 61 CA LEU A 5 -8.117 14.129 -6.157 1.00 0.00 C ATOM 62 C LEU A 5 -8.514 13.633 -7.548 1.00 0.00 C ATOM 63 O LEU A 5 -9.511 12.924 -7.684 1.00 0.00 O ATOM 64 CB LEU A 5 -6.757 14.830 -6.124 1.00 0.00 C ATOM 65 CG LEU A 5 -5.526 13.911 -6.175 1.00 0.00 C ATOM 66 CD1 LEU A 5 -4.890 13.949 -7.541 1.00 0.00 C ATOM 67 CD2 LEU A 5 -4.515 14.298 -5.098 1.00 0.00 C ATOM 0 H LEU A 5 -7.184 12.518 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.867 14.863 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.706 15.521 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.701 15.430 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.856 12.891 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.021 13.292 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.611 13.614 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.578 14.968 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.652 13.634 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.192 15.327 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.978 14.210 -4.115 1.00 0.00 H new ATOM 79 N ASP A 6 -7.726 13.949 -8.572 1.00 0.00 N ATOM 80 CA ASP A 6 -8.017 13.459 -9.902 1.00 0.00 C ATOM 81 C ASP A 6 -7.642 11.997 -9.917 1.00 0.00 C ATOM 82 O ASP A 6 -8.463 11.117 -10.173 1.00 0.00 O ATOM 83 CB ASP A 6 -7.228 14.233 -10.962 1.00 0.00 C ATOM 84 CG ASP A 6 -8.067 14.569 -12.181 1.00 0.00 C ATOM 85 OD1 ASP A 6 -8.727 15.629 -12.173 1.00 0.00 O ATOM 86 OD2 ASP A 6 -8.060 13.774 -13.144 1.00 0.00 O ATOM 0 H ASP A 6 -6.894 14.534 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.072 13.595 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.844 15.154 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.365 13.643 -11.270 1.00 0.00 H new ATOM 91 N VAL A 7 -6.404 11.764 -9.548 1.00 0.00 N ATOM 92 CA VAL A 7 -5.877 10.435 -9.411 1.00 0.00 C ATOM 93 C VAL A 7 -6.113 9.976 -7.977 1.00 0.00 C ATOM 94 O VAL A 7 -5.565 10.550 -7.036 1.00 0.00 O ATOM 95 CB VAL A 7 -4.378 10.364 -9.749 1.00 0.00 C ATOM 96 CG1 VAL A 7 -4.162 10.586 -11.239 1.00 0.00 C ATOM 97 CG2 VAL A 7 -3.587 11.379 -8.936 1.00 0.00 C ATOM 0 H VAL A 7 -5.732 12.501 -9.334 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.388 9.782 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.016 9.370 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.097 10.533 -11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.690 9.817 -11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.544 11.568 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.530 11.308 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.948 12.383 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.716 11.174 -7.873 1.00 0.00 H new ATOM 107 N ARG A 8 -6.972 8.990 -7.799 1.00 0.00 N ATOM 108 CA ARG A 8 -7.317 8.524 -6.487 1.00 0.00 C ATOM 109 C ARG A 8 -6.169 7.802 -5.788 1.00 0.00 C ATOM 110 O ARG A 8 -5.648 6.795 -6.268 1.00 0.00 O ATOM 111 CB ARG A 8 -8.534 7.633 -6.593 1.00 0.00 C ATOM 112 CG ARG A 8 -9.665 8.268 -7.366 1.00 0.00 C ATOM 113 CD ARG A 8 -10.457 7.218 -8.107 1.00 0.00 C ATOM 114 NE ARG A 8 -11.620 7.785 -8.792 1.00 0.00 N ATOM 115 CZ ARG A 8 -11.544 8.665 -9.791 1.00 0.00 C ATOM 116 NH1 ARG A 8 -10.364 9.032 -10.274 1.00 0.00 N ATOM 117 NH2 ARG A 8 -12.652 9.168 -10.322 1.00 0.00 N ATOM 0 H ARG A 8 -7.442 8.499 -8.559 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.538 9.393 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.252 6.698 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.882 7.382 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.319 8.811 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.266 8.996 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.813 6.726 -8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.788 6.452 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.547 7.488 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.508 8.641 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.313 9.706 -11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.564 8.881 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.591 9.841 -11.086 1.00 0.00 H new ATOM 131 N THR A 9 -5.808 8.350 -4.631 1.00 0.00 N ATOM 132 CA THR A 9 -4.743 7.840 -3.785 1.00 0.00 C ATOM 133 C THR A 9 -4.704 8.624 -2.469 1.00 0.00 C ATOM 134 O THR A 9 -3.689 9.235 -2.135 1.00 0.00 O ATOM 135 CB THR A 9 -3.397 7.964 -4.487 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.539 7.952 -5.896 1.00 0.00 O ATOM 137 CG2 THR A 9 -2.421 6.873 -4.113 1.00 0.00 C ATOM 0 H THR A 9 -6.261 9.181 -4.250 1.00 0.00 H new ATOM 0 HA THR A 9 -4.939 6.788 -3.579 1.00 0.00 H new ATOM 0 HB THR A 9 -2.999 8.921 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.970 7.117 -6.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.484 7.023 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.234 6.905 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.840 5.903 -4.380 1.00 0.00 H new ATOM 145 N CYS A 10 -5.828 8.649 -1.743 1.00 0.00 N ATOM 146 CA CYS A 10 -5.908 9.420 -0.487 1.00 0.00 C ATOM 147 C CYS A 10 -5.982 8.554 0.775 1.00 0.00 C ATOM 148 O CYS A 10 -6.627 8.946 1.748 1.00 0.00 O ATOM 149 CB CYS A 10 -7.125 10.352 -0.507 1.00 0.00 C ATOM 150 SG CYS A 10 -8.671 9.558 -1.054 1.00 0.00 S ATOM 0 H CYS A 10 -6.684 8.155 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.978 9.986 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.273 10.758 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.911 11.195 -1.164 1.00 0.00 H new ATOM 155 N LEU A 11 -5.315 7.405 0.792 1.00 0.00 N ATOM 156 CA LEU A 11 -5.328 6.558 1.988 1.00 0.00 C ATOM 157 C LEU A 11 -3.908 6.157 2.390 1.00 0.00 C ATOM 158 O LEU A 11 -3.391 5.136 1.940 1.00 0.00 O ATOM 159 CB LEU A 11 -6.186 5.312 1.752 1.00 0.00 C ATOM 160 CG LEU A 11 -6.940 4.794 2.982 1.00 0.00 C ATOM 161 CD1 LEU A 11 -8.167 5.651 3.266 1.00 0.00 C ATOM 162 CD2 LEU A 11 -7.338 3.336 2.789 1.00 0.00 C ATOM 0 H LEU A 11 -4.768 7.041 0.012 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.763 7.133 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.911 5.533 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.544 4.515 1.377 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.274 4.859 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.686 5.264 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.857 6.679 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.837 5.623 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.872 2.985 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.984 3.248 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.443 2.731 2.642 1.00 0.00 H new ATOM 174 N PRO A 12 -3.249 6.962 3.246 1.00 0.00 N ATOM 175 CA PRO A 12 -1.884 6.689 3.692 1.00 0.00 C ATOM 176 C PRO A 12 -1.778 5.541 4.691 1.00 0.00 C ATOM 177 O PRO A 12 -2.780 4.968 5.125 1.00 0.00 O ATOM 178 CB PRO A 12 -1.429 7.995 4.359 1.00 0.00 C ATOM 179 CG PRO A 12 -2.518 8.986 4.137 1.00 0.00 C ATOM 180 CD PRO A 12 -3.768 8.206 3.824 1.00 0.00 C ATOM 0 HA PRO A 12 -1.271 6.381 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.252 7.845 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.492 8.345 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.662 9.605 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.267 9.657 3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.360 8.018 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.410 8.739 3.123 1.00 0.00 H new ATOM 188 N CYS A 13 -0.537 5.242 5.063 1.00 0.00 N ATOM 189 CA CYS A 13 -0.228 4.193 6.004 1.00 0.00 C ATOM 190 C CYS A 13 1.106 4.474 6.677 1.00 0.00 C ATOM 191 O CYS A 13 1.747 5.489 6.405 1.00 0.00 O ATOM 192 CB CYS A 13 -0.164 2.844 5.300 1.00 0.00 C ATOM 193 SG CYS A 13 -0.551 1.419 6.359 1.00 0.00 S ATOM 0 H CYS A 13 0.285 5.732 4.710 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.017 4.164 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.858 2.854 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.836 2.712 4.886 1.00 0.00 H new ATOM 198 N GLY A 14 1.538 3.560 7.530 1.00 0.00 N ATOM 199 CA GLY A 14 2.807 3.727 8.189 1.00 0.00 C ATOM 200 C GLY A 14 2.876 4.961 9.062 1.00 0.00 C ATOM 201 O GLY A 14 1.975 5.240 9.853 1.00 0.00 O ATOM 0 H GLY A 14 1.032 2.709 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.008 2.847 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.594 3.779 7.437 1.00 0.00 H new ATOM 205 N PRO A 15 3.977 5.695 8.939 1.00 0.00 N ATOM 206 CA PRO A 15 4.257 6.901 9.706 1.00 0.00 C ATOM 207 C PRO A 15 3.731 8.166 9.028 1.00 0.00 C ATOM 208 O PRO A 15 4.341 8.678 8.088 1.00 0.00 O ATOM 209 CB PRO A 15 5.780 6.867 9.717 1.00 0.00 C ATOM 210 CG PRO A 15 6.116 6.407 8.349 1.00 0.00 C ATOM 211 CD PRO A 15 5.084 5.364 8.034 1.00 0.00 C ATOM 0 HA PRO A 15 3.784 6.924 10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.204 7.849 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.162 6.185 10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.079 7.229 7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.123 5.993 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.775 5.407 6.989 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.462 4.358 8.213 1.00 0.00 H new ATOM 219 N GLY A 16 2.590 8.660 9.509 1.00 0.00 N ATOM 220 CA GLY A 16 1.990 9.855 8.937 1.00 0.00 C ATOM 221 C GLY A 16 1.210 9.550 7.672 1.00 0.00 C ATOM 222 O GLY A 16 -0.015 9.665 7.644 1.00 0.00 O ATOM 0 H GLY A 16 2.070 8.252 10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.327 10.314 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.771 10.582 8.715 1.00 0.00 H new ATOM 226 N GLY A 17 1.925 9.131 6.635 1.00 0.00 N ATOM 227 CA GLY A 17 1.305 8.778 5.379 1.00 0.00 C ATOM 228 C GLY A 17 2.315 8.376 4.335 1.00 0.00 C ATOM 229 O GLY A 17 2.129 8.601 3.139 1.00 0.00 O ATOM 0 H GLY A 17 2.940 9.029 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.606 7.957 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.724 9.625 5.013 1.00 0.00 H new ATOM 233 N LYS A 18 3.382 7.772 4.809 1.00 0.00 N ATOM 234 CA LYS A 18 4.452 7.308 3.967 1.00 0.00 C ATOM 235 C LYS A 18 3.990 6.117 3.152 1.00 0.00 C ATOM 236 O LYS A 18 4.349 5.953 1.986 1.00 0.00 O ATOM 237 CB LYS A 18 5.628 6.923 4.852 1.00 0.00 C ATOM 238 CG LYS A 18 6.716 7.964 4.937 1.00 0.00 C ATOM 239 CD LYS A 18 6.136 9.352 4.877 1.00 0.00 C ATOM 240 CE LYS A 18 7.212 10.416 5.030 1.00 0.00 C ATOM 241 NZ LYS A 18 7.732 10.883 3.713 1.00 0.00 N ATOM 0 H LYS A 18 3.529 7.589 5.802 1.00 0.00 H new ATOM 0 HA LYS A 18 4.755 8.095 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.258 6.720 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.060 5.995 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.274 7.838 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.423 7.825 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.619 9.490 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.392 9.470 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.806 11.265 5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.035 10.016 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.759 11.030 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.530 10.167 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.270 11.778 3.455 1.00 0.00 H new ATOM 255 N GLY A 19 3.167 5.311 3.785 1.00 0.00 N ATOM 256 CA GLY A 19 2.610 4.152 3.148 1.00 0.00 C ATOM 257 C GLY A 19 1.134 4.342 2.856 1.00 0.00 C ATOM 258 O GLY A 19 0.608 5.443 3.009 1.00 0.00 O ATOM 0 H GLY A 19 2.870 5.445 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.144 3.952 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.747 3.281 3.788 1.00 0.00 H new ATOM 262 N ARG A 20 0.468 3.280 2.433 1.00 0.00 N ATOM 263 CA ARG A 20 -0.940 3.339 2.115 1.00 0.00 C ATOM 264 C ARG A 20 -1.529 1.934 2.125 1.00 0.00 C ATOM 265 O ARG A 20 -0.806 0.954 2.310 1.00 0.00 O ATOM 266 CB ARG A 20 -1.120 3.996 0.756 1.00 0.00 C ATOM 267 CG ARG A 20 -0.522 3.194 -0.370 1.00 0.00 C ATOM 268 CD ARG A 20 -1.284 3.402 -1.662 1.00 0.00 C ATOM 269 NE ARG A 20 -0.469 4.066 -2.677 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.118 5.351 -2.629 1.00 0.00 C ATOM 271 NH1 ARG A 20 -0.550 6.132 -1.647 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.663 5.859 -3.570 1.00 0.00 N ATOM 0 H ARG A 20 0.889 2.360 2.303 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.466 3.933 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.184 4.141 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.662 4.985 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.520 3.482 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.528 2.136 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.623 2.438 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.175 3.998 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.149 3.512 -3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.156 5.750 -0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.276 7.114 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.996 5.267 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.932 6.842 -3.534 1.00 0.00 H new ATOM 286 N CYS A 21 -2.826 1.831 1.893 1.00 0.00 N ATOM 287 CA CYS A 21 -3.482 0.544 1.845 1.00 0.00 C ATOM 288 C CYS A 21 -3.212 -0.095 0.494 1.00 0.00 C ATOM 289 O CYS A 21 -2.764 0.585 -0.428 1.00 0.00 O ATOM 290 CB CYS A 21 -4.971 0.730 2.061 1.00 0.00 C ATOM 291 SG CYS A 21 -5.460 0.847 3.815 1.00 0.00 S ATOM 0 H CYS A 21 -3.443 2.627 1.735 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.097 -0.107 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.292 1.634 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.501 -0.105 1.602 1.00 0.00 H new ATOM 296 N PHE A 22 -3.442 -1.396 0.367 1.00 0.00 N ATOM 297 CA PHE A 22 -3.163 -2.061 -0.904 1.00 0.00 C ATOM 298 C PHE A 22 -4.194 -3.122 -1.280 1.00 0.00 C ATOM 299 O PHE A 22 -4.443 -3.347 -2.465 1.00 0.00 O ATOM 300 CB PHE A 22 -1.763 -2.664 -0.853 1.00 0.00 C ATOM 301 CG PHE A 22 -0.713 -1.624 -1.069 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.399 -0.729 -0.065 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.063 -1.520 -2.281 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.546 0.251 -0.268 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.887 -0.541 -2.491 1.00 0.00 C ATOM 306 CZ PHE A 22 1.190 0.347 -1.482 1.00 0.00 C ATOM 0 H PHE A 22 -3.810 -1.999 1.103 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.224 -1.304 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.607 -3.145 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.671 -3.439 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.900 -0.799 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.300 -2.213 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.783 0.945 0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.391 -0.471 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.931 1.116 -1.642 1.00 0.00 H new ATOM 316 N GLY A 23 -4.797 -3.774 -0.293 1.00 0.00 N ATOM 317 CA GLY A 23 -5.781 -4.791 -0.607 1.00 0.00 C ATOM 318 C GLY A 23 -6.548 -5.298 0.601 1.00 0.00 C ATOM 319 O GLY A 23 -7.468 -4.631 1.075 1.00 0.00 O ATOM 0 H GLY A 23 -4.627 -3.621 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.489 -4.387 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.280 -5.632 -1.086 1.00 0.00 H new ATOM 323 N PRO A 24 -6.217 -6.504 1.101 1.00 0.00 N ATOM 324 CA PRO A 24 -6.899 -7.120 2.229 1.00 0.00 C ATOM 325 C PRO A 24 -6.125 -6.989 3.536 1.00 0.00 C ATOM 326 O PRO A 24 -5.154 -7.711 3.758 1.00 0.00 O ATOM 327 CB PRO A 24 -6.925 -8.573 1.775 1.00 0.00 C ATOM 328 CG PRO A 24 -5.608 -8.767 1.087 1.00 0.00 C ATOM 329 CD PRO A 24 -5.167 -7.404 0.590 1.00 0.00 C ATOM 0 HA PRO A 24 -7.868 -6.671 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.037 -9.252 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.759 -8.764 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.871 -9.185 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.705 -9.468 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.183 -7.134 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.104 -7.373 -0.498 1.00 0.00 H new ATOM 337 N SER A 25 -6.548 -6.067 4.401 1.00 0.00 N ATOM 338 CA SER A 25 -5.867 -5.865 5.679 1.00 0.00 C ATOM 339 C SER A 25 -4.379 -5.659 5.459 1.00 0.00 C ATOM 340 O SER A 25 -3.568 -5.930 6.344 1.00 0.00 O ATOM 341 CB SER A 25 -6.062 -7.080 6.585 1.00 0.00 C ATOM 342 OG SER A 25 -6.341 -6.684 7.916 1.00 0.00 O ATOM 0 H SER A 25 -7.349 -5.455 4.243 1.00 0.00 H new ATOM 0 HA SER A 25 -6.296 -4.981 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.880 -7.693 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.165 -7.699 6.567 1.00 0.00 H new ATOM 0 HG SER A 25 -6.463 -7.479 8.475 1.00 0.00 H new ATOM 348 N ILE A 26 -4.021 -5.218 4.265 1.00 0.00 N ATOM 349 CA ILE A 26 -2.629 -5.033 3.932 1.00 0.00 C ATOM 350 C ILE A 26 -2.251 -3.568 3.760 1.00 0.00 C ATOM 351 O ILE A 26 -3.092 -2.701 3.501 1.00 0.00 O ATOM 352 CB ILE A 26 -2.274 -5.802 2.651 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.846 -6.308 2.706 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.453 -4.913 1.442 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.659 -7.611 1.952 1.00 0.00 C ATOM 0 H ILE A 26 -4.675 -4.984 3.518 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.059 -5.425 4.774 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.945 -6.657 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.180 -5.552 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.555 -6.450 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.198 -5.470 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.490 -4.583 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.800 -4.045 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.382 -7.927 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.302 -8.377 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.922 -7.466 0.904 1.00 0.00 H new ATOM 367 N CYS A 27 -0.960 -3.332 3.886 1.00 0.00 N ATOM 368 CA CYS A 27 -0.374 -2.025 3.749 1.00 0.00 C ATOM 369 C CYS A 27 1.046 -2.185 3.240 1.00 0.00 C ATOM 370 O CYS A 27 1.744 -3.122 3.626 1.00 0.00 O ATOM 371 CB CYS A 27 -0.407 -1.314 5.083 1.00 0.00 C ATOM 372 SG CYS A 27 -1.490 0.145 5.101 1.00 0.00 S ATOM 0 H CYS A 27 -0.279 -4.064 4.091 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.937 -1.422 3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.740 -2.013 5.850 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.605 -1.008 5.348 1.00 0.00 H new ATOM 377 N CYS A 28 1.460 -1.310 2.344 1.00 0.00 N ATOM 378 CA CYS A 28 2.770 -1.423 1.755 1.00 0.00 C ATOM 379 C CYS A 28 3.386 -0.058 1.483 1.00 0.00 C ATOM 380 O CYS A 28 3.064 0.564 0.470 1.00 0.00 O ATOM 381 CB CYS A 28 2.617 -2.186 0.436 1.00 0.00 C ATOM 382 SG CYS A 28 3.628 -3.691 0.237 1.00 0.00 S ATOM 0 H CYS A 28 0.908 -0.519 2.013 1.00 0.00 H new ATOM 0 HA CYS A 28 3.432 -1.945 2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.569 -2.463 0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.857 -1.505 -0.381 1.00 0.00 H new ATOM 387 N GLY A 29 4.267 0.427 2.348 1.00 0.00 N ATOM 388 CA GLY A 29 4.861 1.675 2.088 1.00 0.00 C ATOM 389 C GLY A 29 6.051 1.502 1.173 1.00 0.00 C ATOM 390 O GLY A 29 6.998 0.813 1.541 1.00 0.00 O ATOM 0 H GLY A 29 4.563 -0.033 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.133 2.344 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.175 2.139 3.023 1.00 0.00 H new ATOM 394 N ASP A 30 6.024 2.084 -0.024 1.00 0.00 N ATOM 395 CA ASP A 30 7.149 1.936 -0.944 1.00 0.00 C ATOM 396 C ASP A 30 8.383 2.482 -0.251 1.00 0.00 C ATOM 397 O ASP A 30 9.345 1.757 0.002 1.00 0.00 O ATOM 398 CB ASP A 30 6.892 2.691 -2.248 1.00 0.00 C ATOM 399 CG ASP A 30 7.790 2.211 -3.371 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.984 1.955 -3.107 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.301 2.087 -4.513 1.00 0.00 O ATOM 0 H ASP A 30 5.252 2.651 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 30 7.286 0.886 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.849 2.566 -2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.052 3.757 -2.087 1.00 0.00 H new ATOM 406 N GLU A 31 8.299 3.737 0.145 1.00 0.00 N ATOM 407 CA GLU A 31 9.343 4.367 0.916 1.00 0.00 C ATOM 408 C GLU A 31 9.162 3.983 2.385 1.00 0.00 C ATOM 409 O GLU A 31 9.722 4.617 3.278 1.00 0.00 O ATOM 410 CB GLU A 31 9.233 5.883 0.790 1.00 0.00 C ATOM 411 CG GLU A 31 7.888 6.423 1.261 1.00 0.00 C ATOM 412 CD GLU A 31 8.010 7.789 1.903 1.00 0.00 C ATOM 413 OE1 GLU A 31 9.103 8.108 2.417 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.013 8.540 1.895 1.00 0.00 O ATOM 0 H GLU A 31 7.505 4.344 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 31 10.317 4.041 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.029 6.349 1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.389 6.168 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.206 6.482 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.449 5.726 1.975 1.00 0.00 H new ATOM 421 N LEU A 32 8.293 2.995 2.624 1.00 0.00 N ATOM 422 CA LEU A 32 7.938 2.589 3.972 1.00 0.00 C ATOM 423 C LEU A 32 7.685 1.088 4.104 1.00 0.00 C ATOM 424 O LEU A 32 6.800 0.676 4.839 1.00 0.00 O ATOM 425 CB LEU A 32 6.692 3.385 4.331 1.00 0.00 C ATOM 426 CG LEU A 32 6.096 3.208 5.721 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.824 2.405 5.601 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.063 2.561 6.708 1.00 0.00 C ATOM 0 H LEU A 32 7.824 2.464 1.890 1.00 0.00 H new ATOM 0 HA LEU A 32 8.767 2.790 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.924 4.442 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.919 3.137 3.604 1.00 0.00 H new ATOM 0 HG LEU A 32 5.882 4.196 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.385 2.269 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.119 2.934 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.048 1.431 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.579 2.462 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.349 1.574 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.952 3.183 6.807 1.00 0.00 H new ATOM 440 N GLY A 33 8.474 0.284 3.397 1.00 0.00 N ATOM 441 CA GLY A 33 8.342 -1.174 3.452 1.00 0.00 C ATOM 442 C GLY A 33 6.907 -1.681 3.577 1.00 0.00 C ATOM 443 O GLY A 33 5.955 -0.901 3.542 1.00 0.00 O ATOM 0 H GLY A 33 9.213 0.615 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.786 -1.599 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.919 -1.546 4.299 1.00 0.00 H new ATOM 447 N CYS A 34 6.742 -3.003 3.669 1.00 0.00 N ATOM 448 CA CYS A 34 5.407 -3.584 3.727 1.00 0.00 C ATOM 449 C CYS A 34 5.075 -4.281 5.031 1.00 0.00 C ATOM 450 O CYS A 34 5.864 -5.052 5.573 1.00 0.00 O ATOM 451 CB CYS A 34 5.214 -4.572 2.593 1.00 0.00 C ATOM 452 SG CYS A 34 3.502 -4.651 2.007 1.00 0.00 S ATOM 0 H CYS A 34 7.505 -3.678 3.704 1.00 0.00 H new ATOM 0 HA CYS A 34 4.729 -2.735 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.864 -4.295 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.525 -5.563 2.925 1.00 0.00 H new ATOM 457 N PHE A 35 3.858 -4.018 5.491 1.00 0.00 N ATOM 458 CA PHE A 35 3.318 -4.625 6.699 1.00 0.00 C ATOM 459 C PHE A 35 1.903 -5.129 6.421 1.00 0.00 C ATOM 460 O PHE A 35 1.024 -4.332 6.099 1.00 0.00 O ATOM 461 CB PHE A 35 3.284 -3.619 7.851 1.00 0.00 C ATOM 462 CG PHE A 35 4.415 -2.643 7.859 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.621 -1.804 6.781 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.276 -2.571 8.943 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.661 -0.912 6.773 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.329 -1.670 8.939 1.00 0.00 C ATOM 467 CZ PHE A 35 6.518 -0.839 7.846 1.00 0.00 C ATOM 0 H PHE A 35 3.214 -3.373 5.032 1.00 0.00 H new ATOM 0 HA PHE A 35 3.962 -5.456 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.345 -3.067 7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.287 -4.166 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.953 -1.852 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.126 -3.219 9.794 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.808 -0.264 5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.999 -1.616 9.784 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.337 -0.135 7.837 1.00 0.00 H new ATOM 477 N VAL A 36 1.652 -6.425 6.560 1.00 0.00 N ATOM 478 CA VAL A 36 0.302 -6.930 6.324 1.00 0.00 C ATOM 479 C VAL A 36 -0.481 -6.944 7.617 1.00 0.00 C ATOM 480 O VAL A 36 -0.287 -7.806 8.473 1.00 0.00 O ATOM 481 CB VAL A 36 0.280 -8.337 5.706 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.114 -8.657 5.165 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.333 -8.452 4.613 1.00 0.00 C ATOM 0 H VAL A 36 2.341 -7.128 6.827 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.157 -6.252 5.604 1.00 0.00 H new ATOM 0 HB VAL A 36 0.518 -9.066 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.115 -9.657 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.839 -8.614 5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.384 -7.928 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.305 -9.454 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.129 -7.718 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.320 -8.266 5.037 1.00 0.00 H new ATOM 493 N GLY A 37 -1.359 -5.963 7.753 1.00 0.00 N ATOM 494 CA GLY A 37 -2.160 -5.847 8.959 1.00 0.00 C ATOM 495 C GLY A 37 -1.293 -5.744 10.207 1.00 0.00 C ATOM 496 O GLY A 37 -1.726 -6.078 11.308 1.00 0.00 O ATOM 0 H GLY A 37 -1.533 -5.243 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.799 -4.967 8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.817 -6.713 9.043 1.00 0.00 H new ATOM 500 N THR A 38 -0.057 -5.290 10.011 1.00 0.00 N ATOM 501 CA THR A 38 0.915 -5.126 11.088 1.00 0.00 C ATOM 502 C THR A 38 0.741 -3.755 11.747 1.00 0.00 C ATOM 503 O THR A 38 -0.150 -2.993 11.373 1.00 0.00 O ATOM 504 CB THR A 38 2.317 -5.250 10.490 1.00 0.00 C ATOM 505 OG1 THR A 38 2.314 -6.179 9.420 1.00 0.00 O ATOM 506 CG2 THR A 38 3.400 -5.679 11.454 1.00 0.00 C ATOM 0 H THR A 38 0.300 -5.024 9.093 1.00 0.00 H new ATOM 0 HA THR A 38 0.765 -5.891 11.849 1.00 0.00 H new ATOM 0 HB THR A 38 2.556 -4.237 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.236 -6.369 9.149 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.353 -5.736 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.475 -4.953 12.264 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.154 -6.658 11.866 1.00 0.00 H new ATOM 514 N ALA A 39 1.602 -3.431 12.712 1.00 0.00 N ATOM 515 CA ALA A 39 1.531 -2.141 13.397 1.00 0.00 C ATOM 516 C ALA A 39 1.458 -0.986 12.400 1.00 0.00 C ATOM 517 O ALA A 39 0.514 -0.208 12.409 1.00 0.00 O ATOM 518 CB ALA A 39 2.724 -1.963 14.325 1.00 0.00 C ATOM 0 H ALA A 39 2.353 -4.041 13.035 1.00 0.00 H new ATOM 0 HA ALA A 39 0.618 -2.130 13.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.654 -0.998 14.826 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.728 -2.759 15.070 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.646 -2.005 13.745 1.00 0.00 H new ATOM 524 N GLU A 40 2.460 -0.875 11.540 1.00 0.00 N ATOM 525 CA GLU A 40 2.495 0.189 10.546 1.00 0.00 C ATOM 526 C GLU A 40 1.464 -0.029 9.428 1.00 0.00 C ATOM 527 O GLU A 40 1.353 0.791 8.516 1.00 0.00 O ATOM 528 CB GLU A 40 3.899 0.311 9.964 1.00 0.00 C ATOM 529 CG GLU A 40 4.668 1.512 10.494 1.00 0.00 C ATOM 530 CD GLU A 40 5.640 1.142 11.598 1.00 0.00 C ATOM 531 OE1 GLU A 40 6.169 0.011 11.570 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.871 1.984 12.492 1.00 0.00 O ATOM 0 H GLU A 40 3.259 -1.508 11.510 1.00 0.00 H new ATOM 0 HA GLU A 40 2.230 1.120 11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.458 -0.597 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.830 0.383 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.215 1.979 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.963 2.253 10.869 1.00 0.00 H new ATOM 539 N ALA A 41 0.733 -1.144 9.482 1.00 0.00 N ATOM 540 CA ALA A 41 -0.264 -1.461 8.455 1.00 0.00 C ATOM 541 C ALA A 41 -1.692 -1.187 8.914 1.00 0.00 C ATOM 542 O ALA A 41 -2.600 -1.066 8.091 1.00 0.00 O ATOM 543 CB ALA A 41 -0.168 -2.921 8.092 1.00 0.00 C ATOM 0 H ALA A 41 0.811 -1.841 10.223 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.048 -0.819 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.910 -3.156 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.829 -3.136 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.354 -3.529 8.977 1.00 0.00 H new ATOM 549 N LEU A 42 -1.894 -1.137 10.222 1.00 0.00 N ATOM 550 CA LEU A 42 -3.223 -0.923 10.788 1.00 0.00 C ATOM 551 C LEU A 42 -3.960 0.270 10.188 1.00 0.00 C ATOM 552 O LEU A 42 -5.166 0.394 10.370 1.00 0.00 O ATOM 553 CB LEU A 42 -3.164 -0.782 12.314 1.00 0.00 C ATOM 554 CG LEU A 42 -2.116 0.186 12.876 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.580 1.116 11.800 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.703 0.987 14.029 1.00 0.00 C ATOM 0 H LEU A 42 -1.154 -1.242 10.916 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.793 -1.814 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.145 -0.462 12.664 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.979 -1.768 12.740 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.279 -0.406 13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.840 1.787 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.115 0.527 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.400 1.701 11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.948 1.670 14.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.562 1.558 13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.020 0.307 14.820 1.00 0.00 H new ATOM 568 N ARG A 43 -3.267 1.146 9.474 1.00 0.00 N ATOM 569 CA ARG A 43 -3.931 2.299 8.878 1.00 0.00 C ATOM 570 C ARG A 43 -5.161 1.878 8.077 1.00 0.00 C ATOM 571 O ARG A 43 -6.079 2.668 7.873 1.00 0.00 O ATOM 572 CB ARG A 43 -2.972 3.084 7.999 1.00 0.00 C ATOM 573 CG ARG A 43 -2.708 4.485 8.524 1.00 0.00 C ATOM 574 CD ARG A 43 -2.124 4.435 9.927 1.00 0.00 C ATOM 575 NE ARG A 43 -1.175 5.520 10.165 1.00 0.00 N ATOM 576 CZ ARG A 43 -1.422 6.569 10.948 1.00 0.00 C ATOM 577 NH1 ARG A 43 -2.590 6.692 11.569 1.00 0.00 N ATOM 578 NH2 ARG A 43 -0.497 7.504 11.108 1.00 0.00 N ATOM 0 H ARG A 43 -2.265 1.085 9.295 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.261 2.944 9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.028 2.544 7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.381 3.149 6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.020 5.004 7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.636 5.056 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.931 4.493 10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.625 3.478 10.078 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.267 5.471 9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.309 5.979 11.449 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.768 7.500 12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.401 7.419 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.683 8.308 11.707 1.00 0.00 H new ATOM 592 N CYS A 44 -5.175 0.627 7.633 1.00 0.00 N ATOM 593 CA CYS A 44 -6.296 0.103 6.866 1.00 0.00 C ATOM 594 C CYS A 44 -7.486 -0.202 7.769 1.00 0.00 C ATOM 595 O CYS A 44 -8.606 -0.383 7.291 1.00 0.00 O ATOM 596 CB CYS A 44 -5.876 -1.138 6.082 1.00 0.00 C ATOM 597 SG CYS A 44 -6.133 -1.012 4.279 1.00 0.00 S ATOM 0 H CYS A 44 -4.422 -0.043 7.791 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.606 0.869 6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.821 -1.334 6.274 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.433 -1.996 6.457 1.00 0.00 H new ATOM 602 N GLN A 45 -7.245 -0.231 9.078 1.00 0.00 N ATOM 603 CA GLN A 45 -8.302 -0.473 10.041 1.00 0.00 C ATOM 604 C GLN A 45 -9.352 0.616 9.915 1.00 0.00 C ATOM 605 O GLN A 45 -10.515 0.427 10.277 1.00 0.00 O ATOM 606 CB GLN A 45 -7.741 -0.487 11.460 1.00 0.00 C ATOM 607 CG GLN A 45 -7.737 -1.863 12.106 1.00 0.00 C ATOM 608 CD GLN A 45 -6.362 -2.274 12.594 1.00 0.00 C ATOM 609 OE1 GLN A 45 -5.776 -3.235 12.095 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.839 -1.548 13.576 1.00 0.00 N ATOM 0 H GLN A 45 -6.323 -0.089 9.491 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.752 -1.445 9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.721 -0.102 11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.327 0.193 12.079 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.433 -1.868 12.945 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.098 -2.599 11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.360 -0.760 13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.917 -1.779 13.946 1.00 0.00 H new ATOM 619 N GLU A 46 -8.930 1.754 9.370 1.00 0.00 N ATOM 620 CA GLU A 46 -9.822 2.871 9.159 1.00 0.00 C ATOM 621 C GLU A 46 -10.721 2.553 7.976 1.00 0.00 C ATOM 622 O GLU A 46 -11.839 3.059 7.872 1.00 0.00 O ATOM 623 CB GLU A 46 -9.015 4.153 8.914 1.00 0.00 C ATOM 624 CG GLU A 46 -8.423 4.268 7.515 1.00 0.00 C ATOM 625 CD GLU A 46 -8.946 5.472 6.758 1.00 0.00 C ATOM 626 OE1 GLU A 46 -10.182 5.619 6.657 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.119 6.270 6.270 1.00 0.00 O ATOM 0 H GLU A 46 -7.970 1.919 9.068 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.438 3.035 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.660 5.013 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.206 4.203 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.337 4.333 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.651 3.363 6.952 1.00 0.00 H new ATOM 634 N GLU A 47 -10.233 1.662 7.108 1.00 0.00 N ATOM 635 CA GLU A 47 -11.001 1.227 5.945 1.00 0.00 C ATOM 636 C GLU A 47 -11.974 0.117 6.343 1.00 0.00 C ATOM 637 O GLU A 47 -12.413 -0.675 5.511 1.00 0.00 O ATOM 638 CB GLU A 47 -10.064 0.735 4.836 1.00 0.00 C ATOM 639 CG GLU A 47 -10.747 0.557 3.485 1.00 0.00 C ATOM 640 CD GLU A 47 -11.193 1.873 2.874 1.00 0.00 C ATOM 641 OE1 GLU A 47 -11.140 2.903 3.578 1.00 0.00 O ATOM 642 OE2 GLU A 47 -11.594 1.873 1.691 1.00 0.00 O ATOM 0 H GLU A 47 -9.312 1.231 7.191 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.569 2.077 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.243 1.443 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.626 -0.216 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.062 0.057 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.612 -0.095 3.603 1.00 0.00 H new ATOM 649 N ASN A 48 -12.306 0.070 7.631 1.00 0.00 N ATOM 650 CA ASN A 48 -13.222 -0.921 8.159 1.00 0.00 C ATOM 651 C ASN A 48 -13.835 -0.460 9.486 1.00 0.00 C ATOM 652 O ASN A 48 -14.637 -1.180 10.077 1.00 0.00 O ATOM 653 CB ASN A 48 -12.505 -2.260 8.348 1.00 0.00 C ATOM 654 CG ASN A 48 -13.425 -3.340 8.881 1.00 0.00 C ATOM 655 OD1 ASN A 48 -14.375 -3.746 8.213 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.150 -3.807 10.093 1.00 0.00 N ATOM 0 H ASN A 48 -11.945 0.718 8.331 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.030 -1.048 7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.086 -2.582 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.669 -2.127 9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.737 -4.532 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.351 -3.441 10.611 1.00 0.00 H new ATOM 663 N TYR A 49 -13.460 0.741 9.948 1.00 0.00 N ATOM 664 CA TYR A 49 -13.985 1.293 11.207 1.00 0.00 C ATOM 665 C TYR A 49 -14.440 2.742 11.021 1.00 0.00 C ATOM 666 O TYR A 49 -15.080 3.315 11.901 1.00 0.00 O ATOM 667 CB TYR A 49 -12.911 1.239 12.307 1.00 0.00 C ATOM 668 CG TYR A 49 -12.888 -0.018 13.152 1.00 0.00 C ATOM 669 CD1 TYR A 49 -13.780 -1.040 12.927 1.00 0.00 C ATOM 670 CD2 TYR A 49 -11.967 -0.167 14.182 1.00 0.00 C ATOM 671 CE1 TYR A 49 -13.768 -2.188 13.693 1.00 0.00 C ATOM 672 CE2 TYR A 49 -11.942 -1.309 14.958 1.00 0.00 C ATOM 673 CZ TYR A 49 -12.847 -2.317 14.710 1.00 0.00 C ATOM 674 OH TYR A 49 -12.828 -3.460 15.478 1.00 0.00 O ATOM 0 H TYR A 49 -12.795 1.349 9.470 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.841 0.687 11.503 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.934 1.356 11.839 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -13.053 2.094 12.968 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.506 -0.942 12.133 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.259 0.624 14.379 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.476 -2.980 13.497 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.218 -1.411 15.753 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.118 -3.391 16.150 1.00 0.00 H new ATOM 684 N LEU A 50 -14.116 3.323 9.870 1.00 0.00 N ATOM 685 CA LEU A 50 -14.492 4.688 9.566 1.00 0.00 C ATOM 686 C LEU A 50 -14.872 4.821 8.093 1.00 0.00 C ATOM 687 O LEU A 50 -14.001 4.865 7.224 1.00 0.00 O ATOM 688 CB LEU A 50 -13.348 5.648 9.908 1.00 0.00 C ATOM 689 CG LEU A 50 -13.766 6.914 10.660 1.00 0.00 C ATOM 690 CD1 LEU A 50 -14.802 7.695 9.864 1.00 0.00 C ATOM 691 CD2 LEU A 50 -14.302 6.561 12.039 1.00 0.00 C ATOM 0 H LEU A 50 -13.589 2.859 9.130 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.358 4.950 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.613 5.113 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.851 5.941 8.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.887 7.546 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.085 8.591 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.381 7.981 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.683 7.073 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.595 7.473 12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.169 5.908 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.528 6.049 12.610 1.00 0.00 H new ATOM 703 N PRO A 51 -16.182 4.880 7.786 1.00 0.00 N ATOM 704 CA PRO A 51 -16.670 5.002 6.409 1.00 0.00 C ATOM 705 C PRO A 51 -15.862 5.994 5.582 1.00 0.00 C ATOM 706 O PRO A 51 -16.039 7.207 5.701 1.00 0.00 O ATOM 707 CB PRO A 51 -18.096 5.496 6.605 1.00 0.00 C ATOM 708 CG PRO A 51 -18.518 4.834 7.867 1.00 0.00 C ATOM 709 CD PRO A 51 -17.299 4.830 8.752 1.00 0.00 C ATOM 0 HA PRO A 51 -16.593 4.065 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -18.137 6.582 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -18.737 5.215 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.341 5.374 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.869 3.819 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.288 5.687 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.255 3.935 9.373 1.00 0.00 H new ATOM 717 N SER A 52 -14.972 5.472 4.747 1.00 0.00 N ATOM 718 CA SER A 52 -14.138 6.314 3.903 1.00 0.00 C ATOM 719 C SER A 52 -13.506 5.504 2.776 1.00 0.00 C ATOM 720 O SER A 52 -12.446 4.905 2.951 1.00 0.00 O ATOM 721 CB SER A 52 -13.049 6.986 4.738 1.00 0.00 C ATOM 722 OG SER A 52 -12.517 8.115 4.068 1.00 0.00 O ATOM 0 H SER A 52 -14.810 4.471 4.637 1.00 0.00 H new ATOM 0 HA SER A 52 -14.772 7.081 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.460 7.291 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.251 6.272 4.944 1.00 0.00 H new ATOM 0 HG SER A 52 -11.823 8.528 4.624 1.00 0.00 H new ATOM 728 N PRO A 53 -14.153 5.470 1.599 1.00 0.00 N ATOM 729 CA PRO A 53 -13.653 4.722 0.452 1.00 0.00 C ATOM 730 C PRO A 53 -12.651 5.513 -0.386 1.00 0.00 C ATOM 731 O PRO A 53 -12.934 5.883 -1.525 1.00 0.00 O ATOM 732 CB PRO A 53 -14.926 4.459 -0.345 1.00 0.00 C ATOM 733 CG PRO A 53 -15.780 5.656 -0.089 1.00 0.00 C ATOM 734 CD PRO A 53 -15.430 6.145 1.297 1.00 0.00 C ATOM 0 HA PRO A 53 -13.108 3.826 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.712 4.343 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -15.418 3.543 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.594 6.431 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.837 5.399 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.325 7.230 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -16.202 5.882 2.020 1.00 0.00 H new ATOM 742 N CYS A 54 -11.466 5.740 0.172 1.00 0.00 N ATOM 743 CA CYS A 54 -10.415 6.457 -0.539 1.00 0.00 C ATOM 744 C CYS A 54 -9.740 5.501 -1.516 1.00 0.00 C ATOM 745 O CYS A 54 -10.301 4.452 -1.838 1.00 0.00 O ATOM 746 CB CYS A 54 -9.397 7.029 0.454 1.00 0.00 C ATOM 747 SG CYS A 54 -9.482 8.837 0.659 1.00 0.00 S ATOM 0 H CYS A 54 -11.211 5.438 1.112 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.846 7.291 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.550 6.558 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.394 6.760 0.123 1.00 0.00 H new ATOM 752 N GLN A 55 -8.553 5.850 -2.002 1.00 0.00 N ATOM 753 CA GLN A 55 -7.869 4.986 -2.946 1.00 0.00 C ATOM 754 C GLN A 55 -6.408 4.734 -2.570 1.00 0.00 C ATOM 755 O GLN A 55 -5.898 5.281 -1.592 1.00 0.00 O ATOM 756 CB GLN A 55 -7.946 5.580 -4.345 1.00 0.00 C ATOM 757 CG GLN A 55 -8.364 4.579 -5.413 1.00 0.00 C ATOM 758 CD GLN A 55 -7.313 4.396 -6.492 1.00 0.00 C ATOM 759 OE1 GLN A 55 -6.157 4.102 -6.202 1.00 0.00 O ATOM 760 NE2 GLN A 55 -7.711 4.568 -7.748 1.00 0.00 N ATOM 0 H GLN A 55 -8.056 6.708 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.378 4.022 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.654 6.409 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.973 5.994 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.567 3.617 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.295 4.912 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.681 4.812 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.046 4.456 -8.514 1.00 0.00 H new ATOM 769 N SER A 56 -5.749 3.892 -3.371 1.00 0.00 N ATOM 770 CA SER A 56 -4.345 3.537 -3.157 1.00 0.00 C ATOM 771 C SER A 56 -3.578 3.577 -4.484 1.00 0.00 C ATOM 772 O SER A 56 -3.956 4.313 -5.394 1.00 0.00 O ATOM 773 CB SER A 56 -4.250 2.145 -2.521 1.00 0.00 C ATOM 774 OG SER A 56 -5.510 1.723 -2.025 1.00 0.00 O ATOM 0 H SER A 56 -6.172 3.440 -4.182 1.00 0.00 H new ATOM 0 HA SER A 56 -3.895 4.262 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.888 1.429 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.523 2.162 -1.709 1.00 0.00 H new ATOM 0 HG SER A 56 -5.423 0.832 -1.626 1.00 0.00 H new ATOM 780 N GLY A 57 -2.501 2.799 -4.602 1.00 0.00 N ATOM 781 CA GLY A 57 -1.736 2.800 -5.831 1.00 0.00 C ATOM 782 C GLY A 57 -0.789 1.633 -5.907 1.00 0.00 C ATOM 783 O GLY A 57 0.085 1.484 -5.055 1.00 0.00 O ATOM 0 H GLY A 57 -2.151 2.176 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.417 2.770 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.172 3.730 -5.906 1.00 0.00 H new ATOM 787 N GLN A 58 -0.973 0.781 -6.909 1.00 0.00 N ATOM 788 CA GLN A 58 -0.133 -0.382 -7.054 1.00 0.00 C ATOM 789 C GLN A 58 0.426 -0.522 -8.470 1.00 0.00 C ATOM 790 O GLN A 58 -0.167 -1.186 -9.316 1.00 0.00 O ATOM 791 CB GLN A 58 -0.952 -1.601 -6.681 1.00 0.00 C ATOM 792 CG GLN A 58 -0.674 -2.080 -5.273 1.00 0.00 C ATOM 793 CD GLN A 58 0.112 -3.376 -5.226 1.00 0.00 C ATOM 794 OE1 GLN A 58 1.145 -3.467 -4.563 1.00 0.00 O ATOM 795 NE2 GLN A 58 -0.384 -4.392 -5.919 1.00 0.00 N ATOM 0 H GLN A 58 -1.694 0.880 -7.624 1.00 0.00 H new ATOM 0 HA GLN A 58 0.729 -0.280 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.012 -1.366 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.739 -2.406 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.122 -1.308 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.620 -2.218 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.243 -4.272 -6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.094 -5.293 -5.916 1.00 0.00 H new ATOM 804 N LYS A 59 1.589 0.088 -8.695 1.00 0.00 N ATOM 805 CA LYS A 59 2.283 0.037 -9.973 1.00 0.00 C ATOM 806 C LYS A 59 2.656 -1.410 -10.327 1.00 0.00 C ATOM 807 O LYS A 59 3.556 -1.986 -9.728 1.00 0.00 O ATOM 808 CB LYS A 59 3.524 0.930 -9.900 1.00 0.00 C ATOM 809 CG LYS A 59 4.110 1.078 -8.502 1.00 0.00 C ATOM 810 CD LYS A 59 3.588 2.348 -7.840 1.00 0.00 C ATOM 811 CE LYS A 59 3.350 2.178 -6.341 1.00 0.00 C ATOM 812 NZ LYS A 59 4.318 1.233 -5.719 1.00 0.00 N ATOM 0 H LYS A 59 2.077 0.635 -7.986 1.00 0.00 H new ATOM 0 HA LYS A 59 1.628 0.405 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.289 0.523 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.268 1.919 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.848 0.210 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.198 1.110 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.302 3.156 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.656 2.646 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.427 3.148 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.335 1.817 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.415 1.452 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.972 0.258 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.243 1.328 -6.184 1.00 0.00 H new ATOM 826 N PRO A 60 1.913 -2.026 -11.269 1.00 0.00 N ATOM 827 CA PRO A 60 2.091 -3.431 -11.680 1.00 0.00 C ATOM 828 C PRO A 60 3.525 -3.930 -11.883 1.00 0.00 C ATOM 829 O PRO A 60 4.447 -3.164 -12.162 1.00 0.00 O ATOM 830 CB PRO A 60 1.340 -3.484 -13.005 1.00 0.00 C ATOM 831 CG PRO A 60 0.218 -2.533 -12.817 1.00 0.00 C ATOM 832 CD PRO A 60 0.771 -1.412 -11.979 1.00 0.00 C ATOM 0 HA PRO A 60 1.735 -4.084 -10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.978 -3.189 -13.838 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.979 -4.490 -13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.146 -2.163 -13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.624 -3.014 -12.320 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.090 -0.572 -12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.026 -1.030 -11.281 1.00 0.00 H new ATOM 840 N CYS A 61 3.654 -5.265 -11.800 1.00 0.00 N ATOM 841 CA CYS A 61 4.909 -5.979 -12.017 1.00 0.00 C ATOM 842 C CYS A 61 4.641 -7.465 -12.241 1.00 0.00 C ATOM 843 O CYS A 61 3.637 -8.018 -11.773 1.00 0.00 O ATOM 844 CB CYS A 61 5.906 -5.817 -10.867 1.00 0.00 C ATOM 845 SG CYS A 61 5.181 -5.318 -9.275 1.00 0.00 S ATOM 0 H CYS A 61 2.873 -5.882 -11.576 1.00 0.00 H new ATOM 0 HA CYS A 61 5.361 -5.533 -12.903 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.432 -6.762 -10.728 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.652 -5.077 -11.156 1.00 0.00 H new ATOM 850 N GLY A 62 5.550 -8.105 -12.964 1.00 0.00 N ATOM 851 CA GLY A 62 5.419 -9.513 -13.271 1.00 0.00 C ATOM 852 C GLY A 62 5.550 -10.432 -12.066 1.00 0.00 C ATOM 853 O GLY A 62 5.536 -11.653 -12.219 1.00 0.00 O ATOM 0 H GLY A 62 6.387 -7.665 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.449 -9.682 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.178 -9.785 -14.005 1.00 0.00 H new ATOM 857 N SER A 63 5.691 -9.866 -10.870 1.00 0.00 N ATOM 858 CA SER A 63 5.832 -10.671 -9.676 1.00 0.00 C ATOM 859 C SER A 63 4.476 -10.950 -9.033 1.00 0.00 C ATOM 860 O SER A 63 4.252 -10.641 -7.862 1.00 0.00 O ATOM 861 CB SER A 63 6.772 -9.995 -8.675 1.00 0.00 C ATOM 862 OG SER A 63 7.134 -10.887 -7.636 1.00 0.00 O ATOM 0 H SER A 63 5.710 -8.859 -10.710 1.00 0.00 H new ATOM 0 HA SER A 63 6.267 -11.626 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.668 -9.648 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.287 -9.116 -8.252 1.00 0.00 H new ATOM 0 HG SER A 63 6.335 -11.136 -7.126 1.00 0.00 H new ATOM 868 N GLY A 64 3.581 -11.548 -9.812 1.00 0.00 N ATOM 869 CA GLY A 64 2.260 -11.884 -9.323 1.00 0.00 C ATOM 870 C GLY A 64 1.514 -10.719 -8.716 1.00 0.00 C ATOM 871 O GLY A 64 0.748 -10.891 -7.767 1.00 0.00 O ATOM 0 H GLY A 64 3.752 -11.808 -10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.672 -12.290 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.350 -12.673 -8.576 1.00 0.00 H new ATOM 875 N GLY A 65 1.723 -9.540 -9.263 1.00 0.00 N ATOM 876 CA GLY A 65 1.043 -8.370 -8.763 1.00 0.00 C ATOM 877 C GLY A 65 1.667 -7.056 -9.140 1.00 0.00 C ATOM 878 O GLY A 65 2.335 -6.934 -10.164 1.00 0.00 O ATOM 0 H GLY A 65 2.353 -9.370 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.016 -8.384 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.997 -8.433 -7.676 1.00 0.00 H new ATOM 882 N ARG A 66 1.418 -6.053 -8.312 1.00 0.00 N ATOM 883 CA ARG A 66 1.934 -4.734 -8.560 1.00 0.00 C ATOM 884 C ARG A 66 2.914 -4.316 -7.480 1.00 0.00 C ATOM 885 O ARG A 66 2.847 -4.791 -6.352 1.00 0.00 O ATOM 886 CB ARG A 66 0.825 -3.691 -8.647 1.00 0.00 C ATOM 887 CG ARG A 66 -0.541 -4.219 -9.089 1.00 0.00 C ATOM 888 CD ARG A 66 -0.436 -5.180 -10.263 1.00 0.00 C ATOM 889 NE ARG A 66 -1.740 -5.558 -10.802 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.006 -6.761 -11.314 1.00 0.00 C ATOM 891 NH1 ARG A 66 -1.085 -7.720 -11.301 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.202 -7.016 -11.827 1.00 0.00 N ATOM 0 H ARG A 66 0.859 -6.137 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 66 2.445 -4.783 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.715 -3.221 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.136 -2.912 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.021 -4.724 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.180 -3.380 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.159 -4.719 -11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.095 -6.077 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.488 -4.865 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.166 -7.539 -10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.298 -8.637 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.920 -6.292 -11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.404 -7.936 -12.218 1.00 0.00 H new ATOM 906 N CYS A 67 3.814 -3.415 -7.837 1.00 0.00 N ATOM 907 CA CYS A 67 4.806 -2.911 -6.912 1.00 0.00 C ATOM 908 C CYS A 67 4.132 -2.203 -5.760 1.00 0.00 C ATOM 909 O CYS A 67 2.975 -1.801 -5.859 1.00 0.00 O ATOM 910 CB CYS A 67 5.779 -1.979 -7.631 1.00 0.00 C ATOM 911 SG CYS A 67 7.204 -1.462 -6.619 1.00 0.00 S ATOM 0 H CYS A 67 3.875 -3.016 -8.774 1.00 0.00 H new ATOM 0 HA CYS A 67 5.375 -3.751 -6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.146 -2.478 -8.528 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.239 -1.091 -7.959 1.00 0.00 H new ATOM 916 N ALA A 68 4.838 -2.090 -4.653 1.00 0.00 N ATOM 917 CA ALA A 68 4.265 -1.468 -3.483 1.00 0.00 C ATOM 918 C ALA A 68 5.329 -0.881 -2.539 1.00 0.00 C ATOM 919 O ALA A 68 5.753 0.262 -2.702 1.00 0.00 O ATOM 920 CB ALA A 68 3.398 -2.509 -2.789 1.00 0.00 C ATOM 0 H ALA A 68 5.798 -2.417 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 68 3.660 -0.613 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.948 -2.072 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.612 -2.839 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.013 -3.363 -2.504 1.00 0.00 H new ATOM 926 N ALA A 69 5.710 -1.659 -1.535 1.00 0.00 N ATOM 927 CA ALA A 69 6.691 -1.242 -0.537 1.00 0.00 C ATOM 928 C ALA A 69 8.115 -1.286 -1.045 1.00 0.00 C ATOM 929 O ALA A 69 8.342 -1.491 -2.236 1.00 0.00 O ATOM 930 CB ALA A 69 6.586 -2.075 0.715 1.00 0.00 C ATOM 0 H ALA A 69 5.347 -2.601 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 69 6.451 -0.203 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.329 -1.740 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.589 -1.966 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.763 -3.122 0.471 1.00 0.00 H new ATOM 936 N ALA A 70 9.081 -1.090 -0.118 1.00 0.00 N ATOM 937 CA ALA A 70 10.497 -1.119 -0.480 1.00 0.00 C ATOM 938 C ALA A 70 10.745 -2.257 -1.423 1.00 0.00 C ATOM 939 O ALA A 70 11.047 -3.362 -0.988 1.00 0.00 O ATOM 940 CB ALA A 70 11.392 -1.310 0.731 1.00 0.00 C ATOM 0 H ALA A 70 8.899 -0.913 0.870 1.00 0.00 H new ATOM 0 HA ALA A 70 10.734 -0.160 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.435 -1.325 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.238 -0.489 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.147 -2.253 1.219 1.00 0.00 H new ATOM 946 N GLY A 71 10.555 -2.015 -2.699 1.00 0.00 N ATOM 947 CA GLY A 71 10.714 -3.074 -3.639 1.00 0.00 C ATOM 948 C GLY A 71 9.806 -4.228 -3.290 1.00 0.00 C ATOM 949 O GLY A 71 10.261 -5.309 -2.926 1.00 0.00 O ATOM 0 H GLY A 71 10.296 -1.111 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.487 -2.715 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.751 -3.409 -3.647 1.00 0.00 H new ATOM 953 N ILE A 72 8.515 -3.998 -3.420 1.00 0.00 N ATOM 954 CA ILE A 72 7.526 -5.008 -3.140 1.00 0.00 C ATOM 955 C ILE A 72 6.535 -5.038 -4.275 1.00 0.00 C ATOM 956 O ILE A 72 6.224 -4.013 -4.867 1.00 0.00 O ATOM 957 CB ILE A 72 6.769 -4.765 -1.803 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.605 -5.217 -0.595 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.404 -5.460 -1.786 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.460 -6.682 -0.231 1.00 0.00 C ATOM 0 H ILE A 72 8.127 -3.105 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 72 8.047 -5.960 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 72 6.603 -3.690 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.655 -5.011 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.325 -4.614 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.908 -5.265 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.790 -5.076 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.541 -6.534 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.087 -6.906 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.419 -6.895 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.770 -7.299 -1.075 1.00 0.00 H new ATOM 972 N CYS A 73 6.046 -6.215 -4.559 1.00 0.00 N ATOM 973 CA CYS A 73 5.081 -6.416 -5.593 1.00 0.00 C ATOM 974 C CYS A 73 3.994 -7.272 -4.974 1.00 0.00 C ATOM 975 O CYS A 73 4.204 -8.449 -4.669 1.00 0.00 O ATOM 976 CB CYS A 73 5.732 -7.045 -6.841 1.00 0.00 C ATOM 977 SG CYS A 73 4.691 -7.058 -8.339 1.00 0.00 S ATOM 0 H CYS A 73 6.313 -7.069 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 73 4.653 -5.481 -5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.652 -6.504 -7.062 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.014 -8.071 -6.605 1.00 0.00 H new ATOM 982 N CYS A 74 2.880 -6.630 -4.661 1.00 0.00 N ATOM 983 CA CYS A 74 1.812 -7.295 -3.945 1.00 0.00 C ATOM 984 C CYS A 74 0.809 -8.031 -4.817 1.00 0.00 C ATOM 985 O CYS A 74 0.418 -7.577 -5.890 1.00 0.00 O ATOM 986 CB CYS A 74 1.116 -6.295 -3.032 1.00 0.00 C ATOM 987 SG CYS A 74 0.441 -7.042 -1.520 1.00 0.00 S ATOM 0 H CYS A 74 2.695 -5.654 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 74 2.286 -8.083 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.823 -5.513 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.307 -5.814 -3.582 1.00 0.00 H new ATOM 992 N SER A 75 0.398 -9.186 -4.294 1.00 0.00 N ATOM 993 CA SER A 75 -0.565 -10.059 -4.928 1.00 0.00 C ATOM 994 C SER A 75 -1.912 -9.951 -4.213 1.00 0.00 C ATOM 995 O SER A 75 -2.046 -9.188 -3.256 1.00 0.00 O ATOM 996 CB SER A 75 -0.058 -11.507 -4.906 1.00 0.00 C ATOM 997 OG SER A 75 1.332 -11.566 -5.180 1.00 0.00 O ATOM 0 H SER A 75 0.737 -9.540 -3.400 1.00 0.00 H new ATOM 0 HA SER A 75 -0.695 -9.755 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.259 -11.951 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.602 -12.097 -5.643 1.00 0.00 H new ATOM 0 HG SER A 75 1.490 -11.339 -6.120 1.00 0.00 H new ATOM 1003 N PRO A 76 -2.934 -10.700 -4.664 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.268 -10.664 -4.056 1.00 0.00 C ATOM 1005 C PRO A 76 -4.312 -11.366 -2.698 1.00 0.00 C ATOM 1006 O PRO A 76 -5.293 -11.250 -1.966 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.147 -11.433 -5.055 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.312 -11.610 -6.279 1.00 0.00 C ATOM 1009 CD PRO A 76 -2.889 -11.619 -5.805 1.00 0.00 C ATOM 0 HA PRO A 76 -4.590 -9.639 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.452 -12.397 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.059 -10.880 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.560 -12.540 -6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.483 -10.801 -6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.565 -12.617 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.201 -11.275 -6.577 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.249 -12.096 -2.367 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.177 -12.814 -1.093 1.00 0.00 C ATOM 1019 C ASP A 77 -2.190 -12.145 -0.139 1.00 0.00 C ATOM 1020 O ASP A 77 -2.372 -12.175 1.078 1.00 0.00 O ATOM 1021 CB ASP A 77 -2.765 -14.268 -1.330 1.00 0.00 C ATOM 1022 CG ASP A 77 -3.832 -15.249 -0.886 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.008 -15.058 -1.261 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -3.492 -16.209 -0.161 1.00 0.00 O ATOM 0 H ASP A 77 -2.427 -12.207 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.166 -12.789 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.557 -14.416 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.840 -14.473 -0.792 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.148 -11.543 -0.700 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.149 -10.877 0.102 1.00 0.00 C ATOM 1031 C GLY A 78 0.976 -10.312 -0.738 1.00 0.00 C ATOM 1032 O GLY A 78 1.058 -10.590 -1.935 1.00 0.00 O ATOM 0 H GLY A 78 -0.980 -11.507 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.618 -10.072 0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.260 -11.580 0.828 1.00 0.00 H new ATOM 1036 N CYS A 79 1.841 -9.506 -0.127 1.00 0.00 N ATOM 1037 CA CYS A 79 2.946 -8.916 -0.861 1.00 0.00 C ATOM 1038 C CYS A 79 4.219 -9.744 -0.754 1.00 0.00 C ATOM 1039 O CYS A 79 4.343 -10.627 0.094 1.00 0.00 O ATOM 1040 CB CYS A 79 3.234 -7.493 -0.382 1.00 0.00 C ATOM 1041 SG CYS A 79 1.760 -6.460 -0.096 1.00 0.00 S ATOM 0 H CYS A 79 1.796 -9.252 0.860 1.00 0.00 H new ATOM 0 HA CYS A 79 2.636 -8.893 -1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.806 -7.547 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.867 -6.999 -1.119 1.00 0.00 H new ATOM 1046 N GLU A 80 5.168 -9.419 -1.624 1.00 0.00 N ATOM 1047 CA GLU A 80 6.455 -10.081 -1.662 1.00 0.00 C ATOM 1048 C GLU A 80 7.510 -9.122 -2.210 1.00 0.00 C ATOM 1049 O GLU A 80 7.224 -8.342 -3.119 1.00 0.00 O ATOM 1050 CB GLU A 80 6.381 -11.351 -2.516 1.00 0.00 C ATOM 1051 CG GLU A 80 6.219 -11.086 -4.005 1.00 0.00 C ATOM 1052 CD GLU A 80 7.548 -11.022 -4.728 1.00 0.00 C ATOM 1053 OE1 GLU A 80 8.036 -12.084 -5.166 1.00 0.00 O ATOM 1054 OE2 GLU A 80 8.101 -9.909 -4.853 1.00 0.00 O ATOM 0 H GLU A 80 5.060 -8.685 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 80 6.735 -10.372 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.287 -11.936 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.544 -11.959 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.606 -11.872 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.685 -10.147 -4.148 1.00 0.00 H new ATOM 1061 N GLU A 81 8.723 -9.156 -1.654 1.00 0.00 N ATOM 1062 CA GLU A 81 9.773 -8.269 -2.103 1.00 0.00 C ATOM 1063 C GLU A 81 10.093 -8.519 -3.562 1.00 0.00 C ATOM 1064 O GLU A 81 10.511 -9.612 -3.942 1.00 0.00 O ATOM 1065 CB GLU A 81 11.014 -8.438 -1.237 1.00 0.00 C ATOM 1066 CG GLU A 81 11.316 -9.869 -0.882 1.00 0.00 C ATOM 1067 CD GLU A 81 11.421 -10.088 0.614 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.414 -9.863 1.317 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.510 -10.479 1.082 1.00 0.00 O ATOM 0 H GLU A 81 8.991 -9.787 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 81 9.426 -7.240 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.871 -8.014 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.886 -7.865 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.534 -10.512 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.251 -10.168 -1.356 1.00 0.00 H new ATOM 1076 N ASP A 82 9.873 -7.496 -4.377 1.00 0.00 N ATOM 1077 CA ASP A 82 10.102 -7.591 -5.795 1.00 0.00 C ATOM 1078 C ASP A 82 11.448 -6.972 -6.201 1.00 0.00 C ATOM 1079 O ASP A 82 11.637 -5.759 -6.162 1.00 0.00 O ATOM 1080 CB ASP A 82 8.943 -6.930 -6.551 1.00 0.00 C ATOM 1081 CG ASP A 82 8.760 -5.483 -6.180 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.624 -4.950 -5.468 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.761 -4.872 -6.618 1.00 0.00 O ATOM 0 H ASP A 82 9.533 -6.586 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 82 10.147 -8.647 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.123 -7.006 -7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.021 -7.474 -6.343 1.00 0.00 H new ATOM 1088 N PRO A 83 12.399 -7.828 -6.603 1.00 0.00 N ATOM 1089 CA PRO A 83 13.725 -7.425 -7.045 1.00 0.00 C ATOM 1090 C PRO A 83 13.607 -6.460 -8.195 1.00 0.00 C ATOM 1091 O PRO A 83 14.535 -5.739 -8.552 1.00 0.00 O ATOM 1092 CB PRO A 83 14.366 -8.744 -7.486 1.00 0.00 C ATOM 1093 CG PRO A 83 13.628 -9.772 -6.714 1.00 0.00 C ATOM 1094 CD PRO A 83 12.226 -9.258 -6.657 1.00 0.00 C ATOM 0 HA PRO A 83 14.310 -6.916 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.263 -8.900 -8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.433 -8.765 -7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.675 -10.745 -7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.047 -9.896 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.651 -9.561 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.696 -9.632 -5.781 1.00 0.00 H new ATOM 1102 N ALA A 84 12.420 -6.432 -8.737 1.00 0.00 N ATOM 1103 CA ALA A 84 12.084 -5.551 -9.797 1.00 0.00 C ATOM 1104 C ALA A 84 11.964 -4.131 -9.281 1.00 0.00 C ATOM 1105 O ALA A 84 12.100 -3.166 -10.034 1.00 0.00 O ATOM 1106 CB ALA A 84 10.765 -6.008 -10.374 1.00 0.00 C ATOM 0 H ALA A 84 11.653 -7.036 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 84 12.860 -5.565 -10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.478 -5.349 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.864 -7.028 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.999 -5.978 -9.599 1.00 0.00 H new ATOM 1112 N CYS A 85 11.618 -4.016 -8.003 1.00 0.00 N ATOM 1113 CA CYS A 85 11.384 -2.719 -7.410 1.00 0.00 C ATOM 1114 C CYS A 85 12.397 -2.202 -6.350 1.00 0.00 C ATOM 1115 O CYS A 85 12.488 -0.980 -6.226 1.00 0.00 O ATOM 1116 CB CYS A 85 9.959 -2.651 -6.863 1.00 0.00 C ATOM 1117 SG CYS A 85 8.807 -1.647 -7.852 1.00 0.00 S ATOM 0 H CYS A 85 11.496 -4.804 -7.367 1.00 0.00 H new ATOM 0 HA CYS A 85 11.541 -2.032 -8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.564 -3.664 -6.790 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.993 -2.248 -5.851 1.00 0.00 H new ATOM 1122 N ASP A 86 13.147 -3.029 -5.550 1.00 0.00 N ATOM 1123 CA ASP A 86 14.046 -2.360 -4.542 1.00 0.00 C ATOM 1124 C ASP A 86 14.835 -3.167 -3.461 1.00 0.00 C ATOM 1125 O ASP A 86 15.823 -2.636 -2.953 1.00 0.00 O ATOM 1126 CB ASP A 86 13.182 -1.431 -3.699 1.00 0.00 C ATOM 1127 CG ASP A 86 13.954 -0.278 -3.084 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.782 -0.529 -2.183 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.722 0.878 -3.496 1.00 0.00 O ATOM 0 H ASP A 86 13.156 -4.049 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 86 14.808 -1.955 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.380 -1.031 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.711 -2.008 -2.903 1.00 0.00 H new ATOM 1134 N PRO A 87 14.391 -4.337 -2.959 1.00 0.00 N ATOM 1135 CA PRO A 87 15.040 -5.011 -1.829 1.00 0.00 C ATOM 1136 C PRO A 87 15.816 -6.216 -2.249 1.00 0.00 C ATOM 1137 O PRO A 87 17.046 -6.217 -2.311 1.00 0.00 O ATOM 1138 CB PRO A 87 13.823 -5.438 -0.995 1.00 0.00 C ATOM 1139 CG PRO A 87 12.645 -5.237 -1.903 1.00 0.00 C ATOM 1140 CD PRO A 87 13.203 -5.076 -3.289 1.00 0.00 C ATOM 0 HA PRO A 87 15.763 -4.378 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.906 -6.478 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.732 -4.836 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.966 -6.089 -1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.074 -4.357 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.419 -6.029 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.535 -4.527 -3.953 1.00 0.00 H new ATOM 1148 N GLU A 88 15.052 -7.218 -2.614 1.00 0.00 N ATOM 1149 CA GLU A 88 15.596 -8.436 -3.133 1.00 0.00 C ATOM 1150 C GLU A 88 16.163 -8.073 -4.501 1.00 0.00 C ATOM 1151 O GLU A 88 16.814 -8.862 -5.186 1.00 0.00 O ATOM 1152 CB GLU A 88 14.481 -9.483 -3.243 1.00 0.00 C ATOM 1153 CG GLU A 88 14.989 -10.910 -3.337 1.00 0.00 C ATOM 1154 CD GLU A 88 14.643 -11.740 -2.116 1.00 0.00 C ATOM 1155 OE1 GLU A 88 14.546 -11.164 -1.011 1.00 0.00 O ATOM 1156 OE2 GLU A 88 14.470 -12.968 -2.264 1.00 0.00 O ATOM 0 H GLU A 88 14.034 -7.205 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 88 16.370 -8.863 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.827 -9.396 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.875 -9.264 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.567 -11.383 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.071 -10.897 -3.467 1.00 0.00 H new ATOM 1163 N ALA A 89 15.877 -6.815 -4.836 1.00 0.00 N ATOM 1164 CA ALA A 89 16.271 -6.141 -6.041 1.00 0.00 C ATOM 1165 C ALA A 89 17.731 -5.725 -6.007 1.00 0.00 C ATOM 1166 O ALA A 89 18.534 -6.238 -5.228 1.00 0.00 O ATOM 1167 CB ALA A 89 15.401 -4.894 -6.148 1.00 0.00 C ATOM 0 H ALA A 89 15.327 -6.213 -4.223 1.00 0.00 H new ATOM 0 HA ALA A 89 16.146 -6.811 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.663 -4.344 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.352 -5.185 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.566 -4.260 -5.277 1.00 0.00 H new ATOM 1173 N ALA A 90 18.029 -4.739 -6.832 1.00 0.00 N ATOM 1174 CA ALA A 90 19.335 -4.148 -6.906 1.00 0.00 C ATOM 1175 C ALA A 90 19.596 -3.446 -5.594 1.00 0.00 C ATOM 1176 O ALA A 90 18.730 -3.450 -4.719 1.00 0.00 O ATOM 1177 CB ALA A 90 19.357 -3.136 -8.035 1.00 0.00 C ATOM 0 H ALA A 90 17.354 -4.326 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 90 20.096 -4.906 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.346 -2.682 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.127 -3.636 -8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.614 -2.362 -7.844 1.00 0.00 H new ATOM 1183 N PHE A 91 20.743 -2.807 -5.447 1.00 0.00 N ATOM 1184 CA PHE A 91 20.999 -2.082 -4.218 1.00 0.00 C ATOM 1185 C PHE A 91 20.154 -0.815 -4.257 1.00 0.00 C ATOM 1186 O PHE A 91 20.666 0.304 -4.272 1.00 0.00 O ATOM 1187 CB PHE A 91 22.484 -1.737 -4.091 1.00 0.00 C ATOM 1188 CG PHE A 91 23.213 -2.599 -3.102 1.00 0.00 C ATOM 1189 CD1 PHE A 91 23.587 -3.891 -3.433 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.521 -2.118 -1.840 1.00 0.00 C ATOM 1191 CE1 PHE A 91 24.255 -4.687 -2.523 1.00 0.00 C ATOM 1192 CE2 PHE A 91 24.187 -2.909 -0.925 1.00 0.00 C ATOM 1193 CZ PHE A 91 24.556 -4.196 -1.267 1.00 0.00 C ATOM 0 H PHE A 91 21.490 -2.775 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 91 20.737 -2.692 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.958 -1.837 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.583 -0.693 -3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 91 23.354 -4.280 -4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.237 -1.112 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.542 -5.693 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.419 -2.522 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 91 25.078 -4.817 -0.554 1.00 0.00 H new ATOM 1203 N SER A 92 18.837 -1.029 -4.297 1.00 0.00 N ATOM 1204 CA SER A 92 17.861 0.042 -4.365 1.00 0.00 C ATOM 1205 C SER A 92 17.282 0.335 -2.985 1.00 0.00 C ATOM 1206 O SER A 92 16.808 1.470 -2.769 1.00 0.00 O ATOM 1207 CB SER A 92 16.748 -0.342 -5.356 1.00 0.00 C ATOM 1208 OG SER A 92 15.554 0.368 -5.084 1.00 0.00 O ATOM 1209 OXT SER A 92 17.306 -0.577 -2.131 1.00 0.00 O ATOM 0 H SER A 92 18.422 -1.961 -4.283 1.00 0.00 H new ATOM 0 HA SER A 92 18.352 0.950 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.075 -0.132 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.559 -1.414 -5.297 1.00 0.00 H new ATOM 0 HG SER A 92 14.917 0.230 -5.816 1.00 0.00 H new TER 1215 SER A 92