USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -160:sc= -0.882 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -4.93! C(o=-12!,f=-16!) USER MOD Set 1.3: A 34 CYS SG : rot 166:sc= -2.35 USER MOD Set 1.4: A 37 CYS SG : rot -72:sc= -3.77! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -157:sc= 1.26 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 17 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.52) USER MOD Single : A 27 TYR OH : rot 70:sc= -0.882 USER MOD Single : A 32 MET CE :methyl -125:sc= -0.174 (180deg=-4.58!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0061 USER MOD Single : A 57 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -16.371 7.589 -7.149 1.00 0.00 N ATOM 2 CA ALA A 2 -15.164 8.409 -7.427 1.00 0.00 C ATOM 3 C ALA A 2 -14.508 7.991 -8.739 1.00 0.00 C ATOM 4 O ALA A 2 -13.848 6.955 -8.812 1.00 0.00 O ATOM 5 CB ALA A 2 -14.172 8.290 -6.281 1.00 0.00 C ATOM 0 HA ALA A 2 -15.475 9.450 -7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.292 8.896 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.637 8.641 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.875 7.248 -6.163 1.00 0.00 H new ATOM 10 N SER A 3 -14.695 8.805 -9.773 1.00 0.00 N ATOM 11 CA SER A 3 -14.122 8.519 -11.084 1.00 0.00 C ATOM 12 C SER A 3 -12.852 9.333 -11.310 1.00 0.00 C ATOM 13 O SER A 3 -12.535 9.706 -12.440 1.00 0.00 O ATOM 14 CB SER A 3 -15.139 8.821 -12.185 1.00 0.00 C ATOM 15 OG SER A 3 -16.406 8.265 -11.876 1.00 0.00 O ATOM 0 H SER A 3 -15.238 9.667 -9.729 1.00 0.00 H new ATOM 0 HA SER A 3 -13.865 7.460 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.233 9.900 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.783 8.418 -13.133 1.00 0.00 H new ATOM 0 HG SER A 3 -17.039 8.474 -12.595 1.00 0.00 H new ATOM 21 N THR A 4 -12.127 9.605 -10.230 1.00 0.00 N ATOM 22 CA THR A 4 -10.891 10.375 -10.312 1.00 0.00 C ATOM 23 C THR A 4 -9.852 9.839 -9.334 1.00 0.00 C ATOM 24 O THR A 4 -9.710 10.347 -8.222 1.00 0.00 O ATOM 25 CB THR A 4 -11.167 11.852 -10.024 1.00 0.00 C ATOM 26 OG1 THR A 4 -12.129 11.992 -8.996 1.00 0.00 O ATOM 27 CG2 THR A 4 -11.670 12.613 -11.230 1.00 0.00 C ATOM 0 H THR A 4 -12.374 9.304 -9.287 1.00 0.00 H new ATOM 0 HA THR A 4 -10.496 10.277 -11.323 1.00 0.00 H new ATOM 0 HB THR A 4 -10.206 12.271 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.290 12.944 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.846 13.653 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.926 12.568 -12.025 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.602 12.167 -11.579 1.00 0.00 H new ATOM 35 N SER A 5 -9.125 8.809 -9.756 1.00 0.00 N ATOM 36 CA SER A 5 -8.098 8.203 -8.917 1.00 0.00 C ATOM 37 C SER A 5 -6.933 7.697 -9.762 1.00 0.00 C ATOM 38 O SER A 5 -6.965 7.778 -10.991 1.00 0.00 O ATOM 39 CB SER A 5 -8.689 7.052 -8.102 1.00 0.00 C ATOM 40 OG SER A 5 -7.818 6.673 -7.049 1.00 0.00 O ATOM 0 H SER A 5 -9.228 8.377 -10.674 1.00 0.00 H new ATOM 0 HA SER A 5 -7.724 8.967 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.653 7.351 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.871 6.197 -8.753 1.00 0.00 H new ATOM 0 HG SER A 5 -8.010 5.750 -6.782 1.00 0.00 H new ATOM 46 N ARG A 6 -5.908 7.175 -9.098 1.00 0.00 N ATOM 47 CA ARG A 6 -4.734 6.657 -9.789 1.00 0.00 C ATOM 48 C ARG A 6 -4.779 5.134 -9.872 1.00 0.00 C ATOM 49 O ARG A 6 -5.034 4.568 -10.935 1.00 0.00 O ATOM 50 CB ARG A 6 -3.457 7.103 -9.075 1.00 0.00 C ATOM 51 CG ARG A 6 -3.026 8.517 -9.428 1.00 0.00 C ATOM 52 CD ARG A 6 -2.172 8.543 -10.685 1.00 0.00 C ATOM 53 NE ARG A 6 -2.904 8.062 -11.855 1.00 0.00 N ATOM 54 CZ ARG A 6 -3.796 8.792 -12.523 1.00 0.00 C ATOM 55 NH1 ARG A 6 -4.067 10.035 -12.142 1.00 0.00 N ATOM 56 NH2 ARG A 6 -4.418 8.279 -13.575 1.00 0.00 N ATOM 0 H ARG A 6 -5.867 7.099 -8.082 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.734 7.058 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.611 7.037 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.651 6.413 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.908 9.141 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.465 8.945 -8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.826 9.560 -10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.286 7.927 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.721 7.112 -12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.591 10.436 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.751 10.589 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.214 7.325 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.101 8.838 -14.086 1.00 0.00 H new ATOM 70 N LEU A 7 -4.530 4.476 -8.745 1.00 0.00 N ATOM 71 CA LEU A 7 -4.545 3.019 -8.694 1.00 0.00 C ATOM 72 C LEU A 7 -4.595 2.524 -7.250 1.00 0.00 C ATOM 73 O LEU A 7 -3.622 1.972 -6.736 1.00 0.00 O ATOM 74 CB LEU A 7 -3.311 2.452 -9.401 1.00 0.00 C ATOM 75 CG LEU A 7 -3.551 1.163 -10.188 1.00 0.00 C ATOM 76 CD1 LEU A 7 -3.996 1.480 -11.607 1.00 0.00 C ATOM 77 CD2 LEU A 7 -2.294 0.305 -10.199 1.00 0.00 C ATOM 0 H LEU A 7 -4.316 4.928 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.441 2.670 -9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.922 3.209 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.538 2.266 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.346 0.601 -9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.162 0.551 -12.152 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.922 2.054 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.223 2.062 -12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.482 -0.609 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.480 0.859 -10.666 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.019 0.049 -9.176 1.00 0.00 H new ATOM 89 N ASP A 8 -5.739 2.725 -6.604 1.00 0.00 N ATOM 90 CA ASP A 8 -5.921 2.298 -5.221 1.00 0.00 C ATOM 91 C ASP A 8 -7.189 1.463 -5.075 1.00 0.00 C ATOM 92 O ASP A 8 -8.214 1.765 -5.686 1.00 0.00 O ATOM 93 CB ASP A 8 -5.987 3.514 -4.294 1.00 0.00 C ATOM 94 CG ASP A 8 -7.151 4.429 -4.622 1.00 0.00 C ATOM 95 OD1 ASP A 8 -7.672 4.342 -5.754 1.00 0.00 O ATOM 96 OD2 ASP A 8 -7.540 5.230 -3.747 1.00 0.00 O ATOM 0 H ASP A 8 -6.554 3.181 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.066 1.683 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.074 3.176 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.055 4.075 -4.368 1.00 0.00 H new ATOM 101 N ALA A 9 -7.112 0.413 -4.267 1.00 0.00 N ATOM 102 CA ALA A 9 -8.256 -0.463 -4.047 1.00 0.00 C ATOM 103 C ALA A 9 -8.330 -0.925 -2.594 1.00 0.00 C ATOM 104 O ALA A 9 -7.306 -1.175 -1.958 1.00 0.00 O ATOM 105 CB ALA A 9 -8.187 -1.663 -4.983 1.00 0.00 C ATOM 0 H ALA A 9 -6.271 0.148 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.162 0.104 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.047 -2.310 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.195 -1.319 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.270 -2.220 -4.793 1.00 0.00 H new ATOM 111 N LEU A 10 -9.550 -1.037 -2.080 1.00 0.00 N ATOM 112 CA LEU A 10 -9.765 -1.470 -0.703 1.00 0.00 C ATOM 113 C LEU A 10 -9.170 -2.858 -0.473 1.00 0.00 C ATOM 114 O LEU A 10 -8.834 -3.562 -1.425 1.00 0.00 O ATOM 115 CB LEU A 10 -11.263 -1.480 -0.385 1.00 0.00 C ATOM 116 CG LEU A 10 -11.843 -0.136 0.058 1.00 0.00 C ATOM 117 CD1 LEU A 10 -11.046 0.436 1.220 1.00 0.00 C ATOM 118 CD2 LEU A 10 -11.865 0.843 -1.106 1.00 0.00 C ATOM 0 H LEU A 10 -10.406 -0.834 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.263 -0.767 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.804 -1.817 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.447 -2.214 0.400 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.867 -0.298 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.475 1.392 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.080 -0.257 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.010 0.583 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.281 1.794 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.849 0.998 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.481 0.439 -1.910 1.00 0.00 H new ATOM 130 N PRO A 11 -9.028 -3.272 0.801 1.00 0.00 N ATOM 131 CA PRO A 11 -8.466 -4.581 1.147 1.00 0.00 C ATOM 132 C PRO A 11 -9.465 -5.726 0.969 1.00 0.00 C ATOM 133 O PRO A 11 -9.204 -6.854 1.388 1.00 0.00 O ATOM 134 CB PRO A 11 -8.101 -4.418 2.621 1.00 0.00 C ATOM 135 CG PRO A 11 -9.085 -3.430 3.143 1.00 0.00 C ATOM 136 CD PRO A 11 -9.395 -2.496 2.004 1.00 0.00 C ATOM 0 HA PRO A 11 -7.628 -4.845 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.170 -5.366 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.078 -4.060 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.989 -3.929 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.674 -2.884 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.448 -2.215 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.819 -1.573 2.076 1.00 0.00 H new ATOM 144 N ARG A 12 -10.606 -5.435 0.346 1.00 0.00 N ATOM 145 CA ARG A 12 -11.629 -6.451 0.120 1.00 0.00 C ATOM 146 C ARG A 12 -11.376 -7.219 -1.177 1.00 0.00 C ATOM 147 O ARG A 12 -12.208 -8.019 -1.604 1.00 0.00 O ATOM 148 CB ARG A 12 -13.017 -5.803 0.076 1.00 0.00 C ATOM 149 CG ARG A 12 -13.698 -5.729 1.434 1.00 0.00 C ATOM 150 CD ARG A 12 -15.210 -5.627 1.296 1.00 0.00 C ATOM 151 NE ARG A 12 -15.768 -4.577 2.146 1.00 0.00 N ATOM 152 CZ ARG A 12 -15.825 -4.651 3.475 1.00 0.00 C ATOM 153 NH1 ARG A 12 -15.367 -5.724 4.108 1.00 0.00 N ATOM 154 NH2 ARG A 12 -16.347 -3.652 4.172 1.00 0.00 N ATOM 0 H ARG A 12 -10.843 -4.509 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.584 -7.158 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.926 -4.796 -0.331 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.651 -6.367 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.444 -6.614 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.323 -4.866 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.466 -5.426 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.663 -6.583 1.557 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.135 -3.739 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.968 -6.498 3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.414 -5.774 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.705 -2.827 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.391 -3.708 5.190 1.00 0.00 H new ATOM 168 N VAL A 13 -10.225 -6.976 -1.803 1.00 0.00 N ATOM 169 CA VAL A 13 -9.876 -7.651 -3.048 1.00 0.00 C ATOM 170 C VAL A 13 -9.244 -9.011 -2.775 1.00 0.00 C ATOM 171 O VAL A 13 -9.738 -10.041 -3.232 1.00 0.00 O ATOM 172 CB VAL A 13 -8.902 -6.809 -3.897 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.863 -7.321 -5.330 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.285 -5.336 -3.859 1.00 0.00 C ATOM 0 H VAL A 13 -9.521 -6.318 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.805 -7.785 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.904 -6.908 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.171 -6.715 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.531 -8.359 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.860 -7.256 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.584 -4.762 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.293 -5.212 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.253 -4.978 -2.830 1.00 0.00 H new ATOM 184 N THR A 14 -8.145 -9.006 -2.027 1.00 0.00 N ATOM 185 CA THR A 14 -7.439 -10.239 -1.694 1.00 0.00 C ATOM 186 C THR A 14 -6.869 -10.894 -2.946 1.00 0.00 C ATOM 187 O THR A 14 -7.159 -10.481 -4.068 1.00 0.00 O ATOM 188 CB THR A 14 -8.370 -11.219 -0.971 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.564 -10.575 -0.562 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.745 -11.849 0.255 1.00 0.00 C ATOM 0 H THR A 14 -7.724 -8.162 -1.640 1.00 0.00 H new ATOM 0 HA THR A 14 -6.615 -9.981 -1.029 1.00 0.00 H new ATOM 0 HB THR A 14 -8.576 -12.005 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.143 -11.220 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.459 -12.531 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.851 -12.401 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.475 -11.069 0.967 1.00 0.00 H new ATOM 198 N CYS A 15 -6.055 -11.920 -2.736 1.00 0.00 N ATOM 199 CA CYS A 15 -5.434 -12.647 -3.835 1.00 0.00 C ATOM 200 C CYS A 15 -6.475 -13.420 -4.641 1.00 0.00 C ATOM 201 O CYS A 15 -7.350 -14.073 -4.071 1.00 0.00 O ATOM 202 CB CYS A 15 -4.392 -13.617 -3.281 1.00 0.00 C ATOM 203 SG CYS A 15 -3.237 -14.257 -4.516 1.00 0.00 S ATOM 0 H CYS A 15 -5.809 -12.269 -1.810 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.955 -11.925 -4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.825 -13.114 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.907 -14.456 -2.813 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.690 -15.350 -4.074 1.00 0.00 H new ATOM 209 N PRO A 16 -6.394 -13.368 -5.984 1.00 0.00 N ATOM 210 CA PRO A 16 -7.335 -14.083 -6.853 1.00 0.00 C ATOM 211 C PRO A 16 -7.252 -15.593 -6.664 1.00 0.00 C ATOM 212 O PRO A 16 -8.206 -16.318 -6.945 1.00 0.00 O ATOM 213 CB PRO A 16 -6.889 -13.693 -8.268 1.00 0.00 C ATOM 214 CG PRO A 16 -5.472 -13.263 -8.117 1.00 0.00 C ATOM 215 CD PRO A 16 -5.382 -12.627 -6.760 1.00 0.00 C ATOM 0 HA PRO A 16 -8.371 -13.821 -6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.976 -14.534 -8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.506 -12.889 -8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.794 -14.113 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.192 -12.558 -8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.386 -12.731 -6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.603 -11.560 -6.798 1.00 0.00 H new ATOM 223 N ASN A 17 -6.103 -16.063 -6.181 1.00 0.00 N ATOM 224 CA ASN A 17 -5.896 -17.487 -5.950 1.00 0.00 C ATOM 225 C ASN A 17 -5.913 -17.799 -4.460 1.00 0.00 C ATOM 226 O ASN A 17 -6.305 -18.893 -4.050 1.00 0.00 O ATOM 227 CB ASN A 17 -4.570 -17.940 -6.569 1.00 0.00 C ATOM 228 CG ASN A 17 -4.761 -18.632 -7.903 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.714 -18.352 -8.631 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.852 -19.542 -8.232 1.00 0.00 N ATOM 0 H ASN A 17 -5.303 -15.477 -5.943 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.711 -18.032 -6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.920 -17.075 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.064 -18.617 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.927 -20.041 -9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.078 -19.742 -7.598 1.00 0.00 H new ATOM 237 N HIS A 18 -5.493 -16.835 -3.650 1.00 0.00 N ATOM 238 CA HIS A 18 -5.469 -17.018 -2.208 1.00 0.00 C ATOM 239 C HIS A 18 -6.559 -16.195 -1.530 1.00 0.00 C ATOM 240 O HIS A 18 -6.319 -15.067 -1.096 1.00 0.00 O ATOM 241 CB HIS A 18 -4.101 -16.654 -1.639 1.00 0.00 C ATOM 242 CG HIS A 18 -3.002 -17.552 -2.107 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.902 -17.090 -2.793 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.823 -18.887 -1.964 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.090 -18.099 -3.051 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.628 -19.201 -2.560 1.00 0.00 N ATOM 0 H HIS A 18 -5.166 -15.923 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.662 -18.071 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.863 -15.627 -1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.148 -16.688 -0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.495 -19.575 -1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.147 -18.034 -3.574 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.221 -20.135 -2.615 1.00 0.00 H new ATOM 255 N PRO A 19 -7.772 -16.765 -1.407 1.00 0.00 N ATOM 256 CA PRO A 19 -8.908 -16.103 -0.754 1.00 0.00 C ATOM 257 C PRO A 19 -8.752 -16.117 0.753 1.00 0.00 C ATOM 258 O PRO A 19 -9.713 -16.308 1.498 1.00 0.00 O ATOM 259 CB PRO A 19 -10.088 -16.970 -1.167 1.00 0.00 C ATOM 260 CG PRO A 19 -9.493 -18.326 -1.266 1.00 0.00 C ATOM 261 CD PRO A 19 -8.130 -18.118 -1.868 1.00 0.00 C ATOM 0 HA PRO A 19 -9.011 -15.055 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.891 -16.935 -0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.513 -16.646 -2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.422 -18.797 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.103 -18.979 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.416 -18.865 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.154 -18.181 -2.956 1.00 0.00 H new ATOM 269 N ASP A 20 -7.527 -15.902 1.180 1.00 0.00 N ATOM 270 CA ASP A 20 -7.181 -15.870 2.579 1.00 0.00 C ATOM 271 C ASP A 20 -5.964 -14.976 2.745 1.00 0.00 C ATOM 272 O ASP A 20 -5.934 -14.087 3.595 1.00 0.00 O ATOM 273 CB ASP A 20 -6.884 -17.278 3.099 1.00 0.00 C ATOM 274 CG ASP A 20 -8.144 -18.039 3.464 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.160 -17.385 3.781 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.116 -19.286 3.430 1.00 0.00 O ATOM 0 H ASP A 20 -6.736 -15.743 0.556 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.018 -15.478 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.334 -17.834 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.238 -17.210 3.974 1.00 0.00 H new ATOM 281 N ALA A 21 -4.969 -15.217 1.896 1.00 0.00 N ATOM 282 CA ALA A 21 -3.748 -14.429 1.912 1.00 0.00 C ATOM 283 C ALA A 21 -4.033 -13.017 1.417 1.00 0.00 C ATOM 284 O ALA A 21 -4.054 -12.758 0.211 1.00 0.00 O ATOM 285 CB ALA A 21 -2.671 -15.093 1.073 1.00 0.00 C ATOM 0 H ALA A 21 -4.988 -15.953 1.190 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.381 -14.368 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.765 -14.487 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.456 -16.084 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.017 -15.186 0.044 1.00 0.00 H new ATOM 291 N ILE A 22 -4.306 -12.135 2.369 1.00 0.00 N ATOM 292 CA ILE A 22 -4.653 -10.749 2.074 1.00 0.00 C ATOM 293 C ILE A 22 -3.446 -9.897 1.681 1.00 0.00 C ATOM 294 O ILE A 22 -3.012 -9.035 2.446 1.00 0.00 O ATOM 295 CB ILE A 22 -5.366 -10.084 3.266 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.421 -11.023 3.855 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.001 -8.775 2.827 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.075 -11.523 5.240 1.00 0.00 C ATOM 0 H ILE A 22 -4.294 -12.358 3.364 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.325 -10.796 1.217 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.629 -9.874 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.378 -10.503 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.548 -11.877 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.503 -8.311 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.229 -8.104 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.727 -8.970 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.866 -12.183 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.133 -12.071 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.976 -10.676 5.919 1.00 0.00 H new ATOM 310 N LEU A 23 -2.924 -10.148 0.470 1.00 0.00 N ATOM 311 CA LEU A 23 -1.773 -9.406 -0.068 1.00 0.00 C ATOM 312 C LEU A 23 -1.429 -8.222 0.819 1.00 0.00 C ATOM 313 O LEU A 23 -2.200 -7.277 0.936 1.00 0.00 O ATOM 314 CB LEU A 23 -2.064 -8.899 -1.477 1.00 0.00 C ATOM 315 CG LEU A 23 -1.549 -9.787 -2.604 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.640 -10.760 -3.031 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.083 -8.934 -3.769 1.00 0.00 C ATOM 0 H LEU A 23 -3.284 -10.865 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.928 -10.094 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.142 -8.785 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.625 -7.907 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.695 -10.365 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.268 -11.393 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.925 -11.382 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.509 -10.202 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.717 -9.578 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.916 -8.336 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.281 -8.274 -3.439 1.00 0.00 H new ATOM 329 N VAL A 24 -0.299 -8.296 1.476 1.00 0.00 N ATOM 330 CA VAL A 24 0.100 -7.246 2.383 1.00 0.00 C ATOM 331 C VAL A 24 0.738 -6.072 1.670 1.00 0.00 C ATOM 332 O VAL A 24 1.317 -6.208 0.594 1.00 0.00 O ATOM 333 CB VAL A 24 1.036 -7.793 3.455 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.261 -6.769 4.558 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.453 -9.084 4.002 1.00 0.00 C ATOM 0 H VAL A 24 0.361 -9.070 1.401 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.808 -6.874 2.857 1.00 0.00 H new ATOM 0 HB VAL A 24 2.012 -8.001 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.932 -7.185 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.705 -5.869 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.307 -6.519 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.114 -9.485 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.528 -8.886 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.353 -9.809 3.194 1.00 0.00 H new ATOM 345 N GLU A 25 0.599 -4.919 2.293 1.00 0.00 N ATOM 346 CA GLU A 25 1.116 -3.673 1.772 1.00 0.00 C ATOM 347 C GLU A 25 2.553 -3.500 2.183 1.00 0.00 C ATOM 348 O GLU A 25 2.886 -3.499 3.368 1.00 0.00 O ATOM 349 CB GLU A 25 0.279 -2.492 2.271 1.00 0.00 C ATOM 350 CG GLU A 25 -0.850 -2.106 1.330 1.00 0.00 C ATOM 351 CD GLU A 25 -1.262 -0.655 1.483 1.00 0.00 C ATOM 352 OE1 GLU A 25 -1.019 -0.078 2.564 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.830 -0.095 0.522 1.00 0.00 O ATOM 0 H GLU A 25 0.117 -4.822 3.187 1.00 0.00 H new ATOM 0 HA GLU A 25 1.058 -3.701 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.141 -2.741 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.931 -1.631 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.539 -2.285 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.711 -2.747 1.519 1.00 0.00 H new ATOM 360 N ASP A 26 3.390 -3.342 1.187 1.00 0.00 N ATOM 361 CA ASP A 26 4.804 -3.155 1.383 1.00 0.00 C ATOM 362 C ASP A 26 5.406 -4.170 2.357 1.00 0.00 C ATOM 363 O ASP A 26 5.112 -4.165 3.551 1.00 0.00 O ATOM 364 CB ASP A 26 5.093 -1.729 1.838 1.00 0.00 C ATOM 365 CG ASP A 26 4.410 -0.694 0.964 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.402 -0.874 -0.272 1.00 0.00 O ATOM 367 OD2 ASP A 26 3.886 0.296 1.515 1.00 0.00 O ATOM 0 H ASP A 26 3.104 -3.340 0.208 1.00 0.00 H new ATOM 0 HA ASP A 26 5.285 -3.326 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.762 -1.605 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.169 -1.558 1.826 1.00 0.00 H new ATOM 372 N TYR A 27 6.301 -4.998 1.826 1.00 0.00 N ATOM 373 CA TYR A 27 7.015 -5.998 2.619 1.00 0.00 C ATOM 374 C TYR A 27 7.709 -7.023 1.728 1.00 0.00 C ATOM 375 O TYR A 27 7.314 -7.266 0.588 1.00 0.00 O ATOM 376 CB TYR A 27 6.109 -6.654 3.687 1.00 0.00 C ATOM 377 CG TYR A 27 5.681 -8.080 3.432 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.555 -9.143 3.617 1.00 0.00 C ATOM 379 CD2 TYR A 27 4.384 -8.359 3.038 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.143 -10.445 3.409 1.00 0.00 C ATOM 381 CE2 TYR A 27 3.965 -9.657 2.824 1.00 0.00 C ATOM 382 CZ TYR A 27 4.848 -10.696 3.011 1.00 0.00 C ATOM 383 OH TYR A 27 4.435 -11.988 2.797 1.00 0.00 O ATOM 0 H TYR A 27 6.552 -4.996 0.837 1.00 0.00 H new ATOM 0 HA TYR A 27 7.798 -5.477 3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.632 -6.622 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.212 -6.044 3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.571 -8.949 3.928 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.687 -7.547 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.833 -11.263 3.558 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.950 -9.856 2.512 1.00 0.00 H new ATOM 0 HH TYR A 27 4.382 -12.461 3.654 1.00 0.00 H new ATOM 393 N ARG A 28 8.800 -7.563 2.270 1.00 0.00 N ATOM 394 CA ARG A 28 9.634 -8.507 1.550 1.00 0.00 C ATOM 395 C ARG A 28 10.200 -7.802 0.337 1.00 0.00 C ATOM 396 O ARG A 28 10.305 -8.374 -0.748 1.00 0.00 O ATOM 397 CB ARG A 28 8.842 -9.745 1.128 1.00 0.00 C ATOM 398 CG ARG A 28 8.817 -10.834 2.187 1.00 0.00 C ATOM 399 CD ARG A 28 10.085 -11.674 2.168 1.00 0.00 C ATOM 400 NE ARG A 28 11.274 -10.891 2.499 1.00 0.00 N ATOM 401 CZ ARG A 28 11.521 -10.391 3.710 1.00 0.00 C ATOM 402 NH1 ARG A 28 10.670 -10.594 4.708 1.00 0.00 N ATOM 403 NH2 ARG A 28 12.623 -9.684 3.922 1.00 0.00 N ATOM 0 H ARG A 28 9.124 -7.356 3.215 1.00 0.00 H new ATOM 0 HA ARG A 28 10.438 -8.851 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.819 -9.451 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.274 -10.149 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.697 -10.381 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.953 -11.478 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.985 -12.496 2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.209 -12.119 1.181 1.00 0.00 H new ATOM 0 HE ARG A 28 11.955 -10.717 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.820 -11.136 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.866 -10.208 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.280 -9.523 3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.813 -9.301 4.848 1.00 0.00 H new ATOM 417 N ALA A 29 10.529 -6.524 0.529 1.00 0.00 N ATOM 418 CA ALA A 29 11.043 -5.706 -0.550 1.00 0.00 C ATOM 419 C ALA A 29 10.021 -5.675 -1.670 1.00 0.00 C ATOM 420 O ALA A 29 10.373 -5.680 -2.850 1.00 0.00 O ATOM 421 CB ALA A 29 12.373 -6.252 -1.046 1.00 0.00 C ATOM 0 H ALA A 29 10.446 -6.041 1.424 1.00 0.00 H new ATOM 0 HA ALA A 29 11.216 -4.692 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.744 -5.625 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.094 -6.252 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.236 -7.271 -1.409 1.00 0.00 H new ATOM 427 N GLY A 30 8.741 -5.688 -1.290 1.00 0.00 N ATOM 428 CA GLY A 30 7.696 -5.704 -2.285 1.00 0.00 C ATOM 429 C GLY A 30 6.504 -4.803 -2.000 1.00 0.00 C ATOM 430 O GLY A 30 6.182 -4.514 -0.851 1.00 0.00 O ATOM 0 H GLY A 30 8.420 -5.688 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.127 -5.414 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.337 -6.728 -2.393 1.00 0.00 H new ATOM 434 N ASP A 31 5.831 -4.421 -3.085 1.00 0.00 N ATOM 435 CA ASP A 31 4.620 -3.604 -3.034 1.00 0.00 C ATOM 436 C ASP A 31 3.558 -4.343 -2.254 1.00 0.00 C ATOM 437 O ASP A 31 3.600 -4.393 -1.029 1.00 0.00 O ATOM 438 CB ASP A 31 4.164 -3.270 -4.456 1.00 0.00 C ATOM 439 CG ASP A 31 5.196 -2.449 -5.205 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.152 -3.047 -5.742 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.048 -1.210 -5.252 1.00 0.00 O ATOM 0 H ASP A 31 6.114 -4.672 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 31 4.816 -2.660 -2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.970 -4.194 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.223 -2.721 -4.416 1.00 0.00 H new ATOM 446 N MET A 32 2.636 -4.950 -2.957 1.00 0.00 N ATOM 447 CA MET A 32 1.595 -5.715 -2.334 1.00 0.00 C ATOM 448 C MET A 32 1.894 -7.181 -2.564 1.00 0.00 C ATOM 449 O MET A 32 1.772 -7.690 -3.677 1.00 0.00 O ATOM 450 CB MET A 32 0.284 -5.294 -2.936 1.00 0.00 C ATOM 451 CG MET A 32 -0.185 -3.943 -2.424 1.00 0.00 C ATOM 452 SD MET A 32 -1.974 -3.740 -2.535 1.00 0.00 S ATOM 453 CE MET A 32 -2.461 -4.125 -0.855 1.00 0.00 C ATOM 0 H MET A 32 2.589 -4.926 -3.976 1.00 0.00 H new ATOM 0 HA MET A 32 1.539 -5.546 -1.259 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.383 -5.253 -4.021 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.473 -6.046 -2.713 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.126 -3.824 -1.386 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.302 -3.153 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.203 -4.923 -0.865 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.588 -4.449 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.888 -3.238 -0.388 1.00 0.00 H new ATOM 463 N ILE A 33 2.356 -7.830 -1.513 1.00 0.00 N ATOM 464 CA ILE A 33 2.762 -9.217 -1.589 1.00 0.00 C ATOM 465 C ILE A 33 1.805 -10.125 -0.870 1.00 0.00 C ATOM 466 O ILE A 33 1.348 -9.848 0.237 1.00 0.00 O ATOM 467 CB ILE A 33 4.185 -9.395 -1.028 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.474 -10.848 -0.650 1.00 0.00 C ATOM 469 CG2 ILE A 33 4.377 -8.486 0.159 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.724 -11.393 -1.284 1.00 0.00 C ATOM 0 H ILE A 33 2.460 -7.412 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 33 2.754 -9.498 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 33 4.894 -9.125 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.563 -10.923 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.627 -11.467 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.384 -8.613 0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.236 -7.450 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.649 -8.737 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.868 -12.428 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.630 -11.350 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.581 -10.797 -0.970 1.00 0.00 H new ATOM 482 N CYS A 34 1.546 -11.230 -1.519 1.00 0.00 N ATOM 483 CA CYS A 34 0.681 -12.243 -0.986 1.00 0.00 C ATOM 484 C CYS A 34 1.509 -13.243 -0.201 1.00 0.00 C ATOM 485 O CYS A 34 2.107 -14.128 -0.792 1.00 0.00 O ATOM 486 CB CYS A 34 -0.051 -12.953 -2.120 1.00 0.00 C ATOM 487 SG CYS A 34 -1.367 -14.060 -1.579 1.00 0.00 S ATOM 0 H CYS A 34 1.932 -11.451 -2.437 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.055 -11.782 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.475 -12.203 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.672 -13.525 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.110 -14.381 -2.597 1.00 0.00 H new ATOM 493 N PRO A 35 1.554 -13.127 1.139 1.00 0.00 N ATOM 494 CA PRO A 35 2.329 -14.027 2.000 1.00 0.00 C ATOM 495 C PRO A 35 2.242 -15.492 1.587 1.00 0.00 C ATOM 496 O PRO A 35 3.046 -16.315 2.026 1.00 0.00 O ATOM 497 CB PRO A 35 1.712 -13.819 3.395 1.00 0.00 C ATOM 498 CG PRO A 35 0.560 -12.885 3.198 1.00 0.00 C ATOM 499 CD PRO A 35 0.850 -12.125 1.938 1.00 0.00 C ATOM 0 HA PRO A 35 3.393 -13.798 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.379 -14.766 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.442 -13.398 4.086 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.377 -13.435 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.458 -12.208 4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.061 -11.780 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.465 -11.245 2.124 1.00 0.00 H new ATOM 507 N GLU A 36 1.267 -15.821 0.757 1.00 0.00 N ATOM 508 CA GLU A 36 1.083 -17.185 0.309 1.00 0.00 C ATOM 509 C GLU A 36 1.927 -17.462 -0.923 1.00 0.00 C ATOM 510 O GLU A 36 2.890 -18.218 -0.860 1.00 0.00 O ATOM 511 CB GLU A 36 -0.393 -17.448 0.022 1.00 0.00 C ATOM 512 CG GLU A 36 -1.126 -18.101 1.181 1.00 0.00 C ATOM 513 CD GLU A 36 -0.550 -19.456 1.542 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.865 -20.442 0.843 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.219 -19.531 2.524 1.00 0.00 O ATOM 0 H GLU A 36 0.590 -15.158 0.380 1.00 0.00 H new ATOM 0 HA GLU A 36 1.409 -17.860 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.882 -16.505 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.476 -18.087 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.079 -17.446 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.179 -18.214 0.923 1.00 0.00 H new ATOM 522 N CYS A 37 1.627 -16.791 -2.025 1.00 0.00 N ATOM 523 CA CYS A 37 2.435 -16.950 -3.227 1.00 0.00 C ATOM 524 C CYS A 37 3.538 -15.924 -3.189 1.00 0.00 C ATOM 525 O CYS A 37 4.556 -16.051 -3.861 1.00 0.00 O ATOM 526 CB CYS A 37 1.613 -16.775 -4.512 1.00 0.00 C ATOM 527 SG CYS A 37 0.365 -15.469 -4.444 1.00 0.00 S ATOM 0 H CYS A 37 0.845 -16.142 -2.114 1.00 0.00 H new ATOM 0 HA CYS A 37 2.836 -17.963 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.294 -16.564 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.118 -17.719 -4.741 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.617 -15.847 -3.681 1.00 0.00 H new ATOM 533 N GLY A 38 3.291 -14.893 -2.395 1.00 0.00 N ATOM 534 CA GLY A 38 4.214 -13.805 -2.239 1.00 0.00 C ATOM 535 C GLY A 38 4.301 -12.989 -3.498 1.00 0.00 C ATOM 536 O GLY A 38 5.372 -12.550 -3.915 1.00 0.00 O ATOM 0 H GLY A 38 2.438 -14.797 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.897 -13.171 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.200 -14.193 -1.984 1.00 0.00 H new ATOM 540 N LEU A 39 3.142 -12.800 -4.096 1.00 0.00 N ATOM 541 CA LEU A 39 3.018 -12.036 -5.321 1.00 0.00 C ATOM 542 C LEU A 39 3.094 -10.567 -4.976 1.00 0.00 C ATOM 543 O LEU A 39 2.505 -10.143 -3.992 1.00 0.00 O ATOM 544 CB LEU A 39 1.693 -12.350 -6.011 1.00 0.00 C ATOM 545 CG LEU A 39 0.495 -11.592 -5.446 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.339 -10.267 -6.157 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.777 -12.413 -5.543 1.00 0.00 C ATOM 0 H LEU A 39 2.259 -13.172 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 39 3.824 -12.300 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.786 -12.120 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.501 -13.420 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 39 0.678 -11.403 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.518 -9.733 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.240 -9.670 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.183 -10.441 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.610 -11.843 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.979 -12.649 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.657 -13.338 -4.979 1.00 0.00 H new ATOM 559 N VAL A 40 3.834 -9.806 -5.766 1.00 0.00 N ATOM 560 CA VAL A 40 4.009 -8.396 -5.514 1.00 0.00 C ATOM 561 C VAL A 40 3.205 -7.562 -6.486 1.00 0.00 C ATOM 562 O VAL A 40 3.335 -7.706 -7.700 1.00 0.00 O ATOM 563 CB VAL A 40 5.493 -8.012 -5.626 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.705 -6.553 -5.263 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.341 -8.923 -4.752 1.00 0.00 C ATOM 0 H VAL A 40 4.324 -10.150 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 40 3.654 -8.196 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 40 5.806 -8.143 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.763 -6.306 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.128 -5.922 -5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.376 -6.381 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.390 -8.640 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.026 -8.827 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.216 -9.957 -5.075 1.00 0.00 H new ATOM 575 N VAL A 41 2.392 -6.669 -5.945 1.00 0.00 N ATOM 576 CA VAL A 41 1.595 -5.788 -6.772 1.00 0.00 C ATOM 577 C VAL A 41 1.842 -4.332 -6.383 1.00 0.00 C ATOM 578 O VAL A 41 1.719 -3.962 -5.218 1.00 0.00 O ATOM 579 CB VAL A 41 0.079 -6.058 -6.674 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.623 -5.672 -7.967 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.204 -7.493 -6.327 1.00 0.00 C ATOM 0 H VAL A 41 2.269 -6.538 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 41 1.907 -5.984 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.314 -5.438 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.691 -5.871 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.467 -4.611 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.215 -6.257 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.281 -7.647 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.213 -8.142 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.251 -7.731 -5.366 1.00 0.00 H new ATOM 591 N GLY A 42 2.169 -3.505 -7.367 1.00 0.00 N ATOM 592 CA GLY A 42 2.408 -2.101 -7.103 1.00 0.00 C ATOM 593 C GLY A 42 3.729 -1.621 -7.653 1.00 0.00 C ATOM 594 O GLY A 42 4.634 -2.417 -7.908 1.00 0.00 O ATOM 0 H GLY A 42 2.273 -3.782 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.602 -1.511 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.383 -1.929 -6.027 1.00 0.00 H new ATOM 598 N ASP A 43 3.834 -0.316 -7.829 1.00 0.00 N ATOM 599 CA ASP A 43 5.048 0.294 -8.349 1.00 0.00 C ATOM 600 C ASP A 43 4.961 1.812 -8.253 1.00 0.00 C ATOM 601 O ASP A 43 4.853 2.504 -9.266 1.00 0.00 O ATOM 602 CB ASP A 43 5.277 -0.131 -9.800 1.00 0.00 C ATOM 603 CG ASP A 43 6.747 -0.307 -10.127 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.437 0.715 -10.330 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.210 -1.465 -10.180 1.00 0.00 O ATOM 0 H ASP A 43 3.088 0.347 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 43 5.891 -0.046 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.751 -1.067 -9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.846 0.616 -10.467 1.00 0.00 H new ATOM 610 N ARG A 44 5.005 2.325 -7.029 1.00 0.00 N ATOM 611 CA ARG A 44 4.928 3.765 -6.799 1.00 0.00 C ATOM 612 C ARG A 44 3.592 4.329 -7.280 1.00 0.00 C ATOM 613 O ARG A 44 3.466 5.529 -7.524 1.00 0.00 O ATOM 614 CB ARG A 44 6.082 4.476 -7.510 1.00 0.00 C ATOM 615 CG ARG A 44 6.304 5.905 -7.039 1.00 0.00 C ATOM 616 CD ARG A 44 6.512 5.969 -5.534 1.00 0.00 C ATOM 617 NE ARG A 44 7.580 5.078 -5.092 1.00 0.00 N ATOM 618 CZ ARG A 44 8.872 5.297 -5.323 1.00 0.00 C ATOM 619 NH1 ARG A 44 9.261 6.377 -5.988 1.00 0.00 N ATOM 620 NH2 ARG A 44 9.779 4.433 -4.889 1.00 0.00 N ATOM 0 H ARG A 44 5.094 1.767 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 44 5.006 3.940 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.998 3.906 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.887 4.483 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.173 6.326 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.446 6.518 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.750 6.992 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.584 5.702 -5.028 1.00 0.00 H new ATOM 0 HE ARG A 44 7.321 4.238 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.568 7.045 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.253 6.539 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.487 3.600 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.769 4.601 -5.066 1.00 0.00 H new ATOM 634 N VAL A 45 2.595 3.459 -7.411 1.00 0.00 N ATOM 635 CA VAL A 45 1.271 3.877 -7.859 1.00 0.00 C ATOM 636 C VAL A 45 0.184 3.427 -6.880 1.00 0.00 C ATOM 637 O VAL A 45 -1.006 3.536 -7.171 1.00 0.00 O ATOM 638 CB VAL A 45 0.955 3.327 -9.266 1.00 0.00 C ATOM 639 CG1 VAL A 45 0.741 1.820 -9.227 1.00 0.00 C ATOM 640 CG2 VAL A 45 -0.257 4.031 -9.857 1.00 0.00 C ATOM 0 H VAL A 45 2.679 2.462 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 45 1.280 4.966 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 45 1.813 3.527 -9.908 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.520 1.458 -10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.643 1.334 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.094 1.588 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.463 3.629 -10.849 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.121 3.870 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.056 5.100 -9.933 1.00 0.00 H new ATOM 650 N ILE A 46 0.601 2.923 -5.721 1.00 0.00 N ATOM 651 CA ILE A 46 -0.341 2.460 -4.708 1.00 0.00 C ATOM 652 C ILE A 46 0.018 3.004 -3.326 1.00 0.00 C ATOM 653 O ILE A 46 -0.476 2.513 -2.311 1.00 0.00 O ATOM 654 CB ILE A 46 -0.389 0.922 -4.645 1.00 0.00 C ATOM 655 CG1 ILE A 46 0.993 0.358 -4.299 1.00 0.00 C ATOM 656 CG2 ILE A 46 -0.884 0.353 -5.966 1.00 0.00 C ATOM 657 CD1 ILE A 46 1.140 -0.025 -2.843 1.00 0.00 C ATOM 0 H ILE A 46 1.583 2.825 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.322 2.836 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.086 0.628 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.185 -0.518 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.752 1.098 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.912 -0.735 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.885 0.731 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.210 0.654 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.142 -0.417 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.980 0.853 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.404 -0.788 -2.591 1.00 0.00 H new ATOM 669 N ASP A 47 0.878 4.018 -3.291 1.00 0.00 N ATOM 670 CA ASP A 47 1.295 4.621 -2.031 1.00 0.00 C ATOM 671 C ASP A 47 0.147 5.401 -1.400 1.00 0.00 C ATOM 672 O ASP A 47 -0.773 5.837 -2.092 1.00 0.00 O ATOM 673 CB ASP A 47 2.495 5.545 -2.254 1.00 0.00 C ATOM 674 CG ASP A 47 2.205 6.633 -3.269 1.00 0.00 C ATOM 675 OD1 ASP A 47 1.284 6.448 -4.092 1.00 0.00 O ATOM 676 OD2 ASP A 47 2.901 7.669 -3.242 1.00 0.00 O ATOM 0 H ASP A 47 1.299 4.438 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 47 1.586 3.821 -1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.779 6.002 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.347 4.955 -2.591 1.00 0.00 H new ATOM 681 N VAL A 48 0.206 5.572 -0.084 1.00 0.00 N ATOM 682 CA VAL A 48 -0.832 6.299 0.639 1.00 0.00 C ATOM 683 C VAL A 48 -0.254 7.516 1.357 1.00 0.00 C ATOM 684 O VAL A 48 -0.306 8.633 0.841 1.00 0.00 O ATOM 685 CB VAL A 48 -1.562 5.395 1.659 1.00 0.00 C ATOM 686 CG1 VAL A 48 -2.853 4.857 1.062 1.00 0.00 C ATOM 687 CG2 VAL A 48 -0.668 4.251 2.120 1.00 0.00 C ATOM 0 H VAL A 48 0.961 5.218 0.504 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.556 6.634 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.807 6.000 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.355 4.223 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.505 5.689 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.626 4.273 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.209 3.633 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.381 3.644 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.227 4.656 2.593 1.00 0.00 H new ATOM 697 N GLY A 49 0.298 7.301 2.550 1.00 0.00 N ATOM 698 CA GLY A 49 0.876 8.396 3.310 1.00 0.00 C ATOM 699 C GLY A 49 -0.054 9.592 3.410 1.00 0.00 C ATOM 700 O GLY A 49 -1.252 9.437 3.652 1.00 0.00 O ATOM 0 H GLY A 49 0.355 6.389 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.122 8.047 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.810 8.705 2.842 1.00 0.00 H new ATOM 704 N SER A 50 0.497 10.787 3.219 1.00 0.00 N ATOM 705 CA SER A 50 -0.293 12.012 3.284 1.00 0.00 C ATOM 706 C SER A 50 -0.986 12.142 4.640 1.00 0.00 C ATOM 707 O SER A 50 -0.582 11.508 5.614 1.00 0.00 O ATOM 708 CB SER A 50 -1.329 12.028 2.155 1.00 0.00 C ATOM 709 OG SER A 50 -1.425 13.316 1.572 1.00 0.00 O ATOM 0 H SER A 50 1.486 10.933 3.018 1.00 0.00 H new ATOM 0 HA SER A 50 0.379 12.862 3.163 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.053 11.300 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.302 11.728 2.545 1.00 0.00 H new ATOM 0 HG SER A 50 -2.091 13.301 0.853 1.00 0.00 H new ATOM 715 N GLU A 51 -2.028 12.971 4.695 1.00 0.00 N ATOM 716 CA GLU A 51 -2.779 13.189 5.931 1.00 0.00 C ATOM 717 C GLU A 51 -1.989 14.043 6.923 1.00 0.00 C ATOM 718 O GLU A 51 -2.401 14.211 8.069 1.00 0.00 O ATOM 719 CB GLU A 51 -3.153 11.852 6.578 1.00 0.00 C ATOM 720 CG GLU A 51 -3.712 10.834 5.597 1.00 0.00 C ATOM 721 CD GLU A 51 -3.818 9.445 6.194 1.00 0.00 C ATOM 722 OE1 GLU A 51 -4.631 9.259 7.125 1.00 0.00 O ATOM 723 OE2 GLU A 51 -3.091 8.541 5.731 1.00 0.00 O ATOM 0 H GLU A 51 -2.372 13.504 3.896 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.690 13.726 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.270 11.432 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.889 12.031 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.698 11.159 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.074 10.798 4.714 1.00 0.00 H new ATOM 730 N TRP A 52 -0.856 14.584 6.474 1.00 0.00 N ATOM 731 CA TRP A 52 -0.016 15.424 7.324 1.00 0.00 C ATOM 732 C TRP A 52 0.525 14.639 8.516 1.00 0.00 C ATOM 733 O TRP A 52 1.690 14.239 8.527 1.00 0.00 O ATOM 734 CB TRP A 52 -0.804 16.643 7.810 1.00 0.00 C ATOM 735 CG TRP A 52 -1.205 17.575 6.705 1.00 0.00 C ATOM 736 CD1 TRP A 52 -0.803 17.524 5.400 1.00 0.00 C ATOM 737 CD2 TRP A 52 -2.089 18.697 6.809 1.00 0.00 C ATOM 738 NE1 TRP A 52 -1.383 18.547 4.688 1.00 0.00 N ATOM 739 CE2 TRP A 52 -2.176 19.280 5.531 1.00 0.00 C ATOM 740 CE3 TRP A 52 -2.816 19.266 7.860 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -2.962 20.402 5.276 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -3.594 20.380 7.605 1.00 0.00 C ATOM 743 CH2 TRP A 52 -3.662 20.937 6.321 1.00 0.00 C ATOM 0 H TRP A 52 -0.500 14.455 5.527 1.00 0.00 H new ATOM 0 HA TRP A 52 0.832 15.762 6.728 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.699 16.303 8.331 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.201 17.190 8.535 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.128 16.788 4.988 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.245 18.730 3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.770 18.843 8.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.016 20.834 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.159 20.828 8.409 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -4.280 21.807 6.154 1.00 0.00 H new ATOM 754 N ARG A 53 -0.324 14.424 9.517 1.00 0.00 N ATOM 755 CA ARG A 53 0.073 13.688 10.713 1.00 0.00 C ATOM 756 C ARG A 53 1.155 14.441 11.480 1.00 0.00 C ATOM 757 O ARG A 53 2.266 14.629 10.983 1.00 0.00 O ATOM 758 CB ARG A 53 0.571 12.290 10.340 1.00 0.00 C ATOM 759 CG ARG A 53 -0.486 11.207 10.494 1.00 0.00 C ATOM 760 CD ARG A 53 -0.761 10.900 11.957 1.00 0.00 C ATOM 761 NE ARG A 53 -1.912 10.016 12.124 1.00 0.00 N ATOM 762 CZ ARG A 53 -2.569 9.864 13.270 1.00 0.00 C ATOM 763 NH1 ARG A 53 -2.192 10.533 14.354 1.00 0.00 N ATOM 764 NH2 ARG A 53 -3.606 9.039 13.336 1.00 0.00 N ATOM 0 H ARG A 53 -1.291 14.749 9.524 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.802 13.591 11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.920 12.301 9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.429 12.040 10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.408 11.526 10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.156 10.300 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.120 10.437 12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.938 11.831 12.496 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.230 9.484 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.395 11.167 14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.700 10.412 15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.899 8.521 12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.110 8.922 14.215 1.00 0.00 H new ATOM 778 N THR A 54 0.823 14.870 12.694 1.00 0.00 N ATOM 779 CA THR A 54 1.766 15.603 13.531 1.00 0.00 C ATOM 780 C THR A 54 2.448 14.670 14.528 1.00 0.00 C ATOM 781 O THR A 54 2.344 13.447 14.422 1.00 0.00 O ATOM 782 CB THR A 54 1.049 16.731 14.278 1.00 0.00 C ATOM 783 OG1 THR A 54 -0.200 17.017 13.674 1.00 0.00 O ATOM 784 CG2 THR A 54 1.843 18.019 14.320 1.00 0.00 C ATOM 0 H THR A 54 -0.092 14.722 13.120 1.00 0.00 H new ATOM 0 HA THR A 54 2.529 16.034 12.883 1.00 0.00 H new ATOM 0 HB THR A 54 0.921 16.367 15.298 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.644 17.739 14.166 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.279 18.777 14.863 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.794 17.844 14.824 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.029 18.365 13.303 1.00 0.00 H new ATOM 792 N PHE A 55 3.147 15.254 15.496 1.00 0.00 N ATOM 793 CA PHE A 55 3.847 14.474 16.513 1.00 0.00 C ATOM 794 C PHE A 55 3.408 14.876 17.920 1.00 0.00 C ATOM 795 O PHE A 55 4.038 14.492 18.906 1.00 0.00 O ATOM 796 CB PHE A 55 5.358 14.657 16.368 1.00 0.00 C ATOM 797 CG PHE A 55 5.777 16.091 16.217 1.00 0.00 C ATOM 798 CD1 PHE A 55 5.677 16.730 14.992 1.00 0.00 C ATOM 799 CD2 PHE A 55 6.268 16.800 17.300 1.00 0.00 C ATOM 800 CE1 PHE A 55 6.060 18.050 14.848 1.00 0.00 C ATOM 801 CE2 PHE A 55 6.654 18.121 17.165 1.00 0.00 C ATOM 802 CZ PHE A 55 6.550 18.747 15.938 1.00 0.00 C ATOM 0 H PHE A 55 3.244 16.264 15.598 1.00 0.00 H new ATOM 0 HA PHE A 55 3.593 13.424 16.364 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.853 14.233 17.242 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.703 14.093 15.501 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.295 16.190 14.139 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.351 16.316 18.262 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.977 18.536 13.887 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.036 18.663 18.018 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.851 19.779 15.830 1.00 0.00 H new ATOM 812 N SER A 56 2.329 15.648 18.011 1.00 0.00 N ATOM 813 CA SER A 56 1.814 16.094 19.303 1.00 0.00 C ATOM 814 C SER A 56 2.879 16.864 20.078 1.00 0.00 C ATOM 815 O SER A 56 4.058 16.841 19.723 1.00 0.00 O ATOM 816 CB SER A 56 1.334 14.897 20.125 1.00 0.00 C ATOM 817 OG SER A 56 0.876 13.851 19.285 1.00 0.00 O ATOM 0 H SER A 56 1.795 15.978 17.207 1.00 0.00 H new ATOM 0 HA SER A 56 0.972 16.761 19.119 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.148 14.533 20.753 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.531 15.209 20.793 1.00 0.00 H new ATOM 0 HG SER A 56 0.576 13.097 19.835 1.00 0.00 H new ATOM 823 N ASN A 57 2.455 17.545 21.137 1.00 0.00 N ATOM 824 CA ASN A 57 3.372 18.321 21.963 1.00 0.00 C ATOM 825 C ASN A 57 2.672 18.835 23.218 1.00 0.00 C ATOM 826 O ASN A 57 1.463 18.667 23.379 1.00 0.00 O ATOM 827 CB ASN A 57 3.941 19.496 21.165 1.00 0.00 C ATOM 828 CG ASN A 57 5.349 19.858 21.594 1.00 0.00 C ATOM 829 OD1 ASN A 57 6.141 18.992 21.966 1.00 0.00 O ATOM 830 ND2 ASN A 57 5.669 21.147 21.547 1.00 0.00 N ATOM 0 H ASN A 57 1.483 17.575 21.443 1.00 0.00 H new ATOM 0 HA ASN A 57 4.190 17.667 22.267 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.940 19.245 20.104 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.292 20.363 21.288 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.602 21.451 21.826 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.982 21.832 21.232 1.00 0.00 H new ATOM 837 N ASP A 58 3.439 19.464 24.102 1.00 0.00 N ATOM 838 CA ASP A 58 2.892 20.003 25.342 1.00 0.00 C ATOM 839 C ASP A 58 1.869 21.097 25.055 1.00 0.00 C ATOM 840 O ASP A 58 0.675 20.925 25.302 1.00 0.00 O ATOM 841 CB ASP A 58 4.014 20.556 26.220 1.00 0.00 C ATOM 842 CG ASP A 58 3.522 20.969 27.595 1.00 0.00 C ATOM 843 OD1 ASP A 58 2.970 20.109 28.310 1.00 0.00 O ATOM 844 OD2 ASP A 58 3.690 22.154 27.954 1.00 0.00 O ATOM 0 H ASP A 58 4.441 19.613 23.983 1.00 0.00 H new ATOM 0 HA ASP A 58 2.391 19.193 25.872 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.793 19.801 26.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.468 21.415 25.726 1.00 0.00 H new ATOM 849 N LYS A 59 2.345 22.222 24.532 1.00 0.00 N ATOM 850 CA LYS A 59 1.471 23.346 24.212 1.00 0.00 C ATOM 851 C LYS A 59 0.760 23.120 22.882 1.00 0.00 C ATOM 852 O LYS A 59 0.991 22.060 22.261 1.00 0.00 O ATOM 853 CB LYS A 59 2.277 24.644 24.160 1.00 0.00 C ATOM 854 CG LYS A 59 2.432 25.320 25.514 1.00 0.00 C ATOM 855 CD LYS A 59 3.837 25.864 25.709 1.00 0.00 C ATOM 856 CE LYS A 59 4.708 24.895 26.490 1.00 0.00 C ATOM 857 NZ LYS A 59 5.545 24.052 25.591 1.00 0.00 N ATOM 0 H LYS A 59 3.330 22.380 24.321 1.00 0.00 H new ATOM 0 HA LYS A 59 0.718 23.425 24.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.266 24.432 23.754 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.792 25.336 23.471 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.711 26.133 25.600 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.204 24.607 26.306 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.290 26.060 24.737 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.789 26.817 26.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.353 25.453 27.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.076 24.254 27.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.125 23.405 26.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.929 23.500 24.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.166 24.662 25.022 1.00 0.00 H new TER 871 LYS A 59