USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 47 ASN : amide:sc= 0.951 K(o=1.2,f=-3.3!) USER MOD Set 1.2: A 49 THR OG1 : rot 55:sc= 0.233 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -179:sc= 1.45 (180deg=0.729) USER MOD Set 2.2: A 29 TYR OH : rot -153:sc= 1.91 USER MOD Single : A 1 LEU N :NH3+ -114:sc= -0.0319 (180deg=-1.27) USER MOD Single : A 2 THR OG1 : rot -147:sc= 1.6 USER MOD Single : A 5 GLN : amide:sc= 0.679 K(o=0.68,f=-5.9!) USER MOD Single : A 9 SER OG : rot 80:sc= 1.17 USER MOD Single : A 10 HIS : no HE2:sc= 0.522 K(o=0.52,f=-2.9!) USER MOD Single : A 15 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.1!) USER MOD Single : A 18 SER OG : rot -78:sc= 1.06 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 0.613 (180deg=0.411) USER MOD Single : A 26 ASN : amide:sc= 0.123 K(o=0.12,f=-3.8!) USER MOD Single : A 28 ASN : amide:sc= 0.942 K(o=0.94,f=-0.67) USER MOD Single : A 33 GLN : amide:sc= 2.93 K(o=2.9,f=-6.5!) USER MOD Single : A 35 TYR OH : rot 39:sc= 1.29 USER MOD Single : A 37 SER OG : rot -24:sc= 1.76 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -91:sc= 1.74 USER MOD Single : A 56 SER OG : rot 50:sc= 1.24 USER MOD Single : A 59 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.49) USER MOD Single : A 60 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-4.9!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.360 9.407 1.081 1.00 0.00 N ATOM 2 CA LEU A 1 14.119 8.720 0.739 1.00 0.00 C ATOM 3 C LEU A 1 13.070 8.940 1.838 1.00 0.00 C ATOM 4 O LEU A 1 13.414 9.189 2.994 1.00 0.00 O ATOM 5 CB LEU A 1 14.405 7.213 0.558 1.00 0.00 C ATOM 6 CG LEU A 1 14.839 6.796 -0.860 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.165 7.419 -1.308 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.991 5.271 -0.909 1.00 0.00 C ATOM 0 H1 LEU A 1 15.531 10.174 0.400 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.284 9.804 2.039 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.151 8.732 1.048 1.00 0.00 H new ATOM 0 HA LEU A 1 13.725 9.125 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.185 6.920 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.508 6.654 0.826 1.00 0.00 H new ATOM 0 HG LEU A 1 14.064 7.156 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.405 7.079 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.077 8.505 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.958 7.116 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.298 4.968 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.745 4.957 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.038 4.802 -0.665 1.00 0.00 H new ATOM 20 N THR A 2 11.786 8.794 1.494 1.00 0.00 N ATOM 21 CA THR A 2 10.676 8.827 2.449 1.00 0.00 C ATOM 22 C THR A 2 10.476 7.468 3.125 1.00 0.00 C ATOM 23 O THR A 2 10.950 6.447 2.630 1.00 0.00 O ATOM 24 CB THR A 2 9.350 9.206 1.767 1.00 0.00 C ATOM 25 OG1 THR A 2 8.939 8.164 0.909 1.00 0.00 O ATOM 26 CG2 THR A 2 9.427 10.530 1.003 1.00 0.00 C ATOM 0 H THR A 2 11.486 8.648 0.530 1.00 0.00 H new ATOM 0 HA THR A 2 10.942 9.580 3.191 1.00 0.00 H new ATOM 0 HB THR A 2 8.612 9.348 2.556 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.465 8.542 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.461 10.742 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.686 11.334 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.189 10.459 0.227 1.00 0.00 H new ATOM 34 N LYS A 3 9.680 7.420 4.205 1.00 0.00 N ATOM 35 CA LYS A 3 9.295 6.166 4.871 1.00 0.00 C ATOM 36 C LYS A 3 8.660 5.158 3.900 1.00 0.00 C ATOM 37 O LYS A 3 8.973 3.971 3.964 1.00 0.00 O ATOM 38 CB LYS A 3 8.393 6.489 6.072 1.00 0.00 C ATOM 39 CG LYS A 3 8.198 5.275 6.995 1.00 0.00 C ATOM 40 CD LYS A 3 7.518 5.644 8.326 1.00 0.00 C ATOM 41 CE LYS A 3 6.128 6.274 8.174 1.00 0.00 C ATOM 42 NZ LYS A 3 5.139 5.312 7.656 1.00 0.00 N ATOM 0 H LYS A 3 9.284 8.252 4.642 1.00 0.00 H new ATOM 0 HA LYS A 3 10.194 5.671 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.829 7.310 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.422 6.830 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.597 4.525 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.167 4.821 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.431 4.746 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.161 6.338 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.794 6.652 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.189 7.129 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.218 5.783 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.452 4.957 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.048 4.516 8.319 1.00 0.00 H new ATOM 56 N CYS A 4 7.848 5.640 2.948 1.00 0.00 N ATOM 57 CA CYS A 4 7.320 4.835 1.847 1.00 0.00 C ATOM 58 C CYS A 4 8.457 4.276 0.984 1.00 0.00 C ATOM 59 O CYS A 4 8.613 3.060 0.885 1.00 0.00 O ATOM 60 CB CYS A 4 6.322 5.660 1.019 1.00 0.00 C ATOM 61 SG CYS A 4 5.324 4.669 -0.123 1.00 0.00 S ATOM 0 H CYS A 4 7.538 6.612 2.924 1.00 0.00 H new ATOM 0 HA CYS A 4 6.784 3.980 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.657 6.196 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.870 6.411 0.450 1.00 0.00 H new ATOM 66 N GLN A 5 9.280 5.152 0.394 1.00 0.00 N ATOM 67 CA GLN A 5 10.374 4.754 -0.496 1.00 0.00 C ATOM 68 C GLN A 5 11.382 3.819 0.186 1.00 0.00 C ATOM 69 O GLN A 5 11.845 2.873 -0.447 1.00 0.00 O ATOM 70 CB GLN A 5 11.097 6.005 -1.004 1.00 0.00 C ATOM 71 CG GLN A 5 10.254 6.865 -1.954 1.00 0.00 C ATOM 72 CD GLN A 5 10.953 8.188 -2.255 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.487 8.847 -1.375 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.960 8.636 -3.496 1.00 0.00 N ATOM 0 H GLN A 5 9.204 6.161 0.522 1.00 0.00 H new ATOM 0 HA GLN A 5 9.933 4.202 -1.326 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.397 6.612 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.010 5.702 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.078 6.322 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.278 7.058 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.517 8.093 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.409 9.526 -3.715 1.00 0.00 H new ATOM 83 N GLU A 6 11.707 4.055 1.462 1.00 0.00 N ATOM 84 CA GLU A 6 12.550 3.193 2.294 1.00 0.00 C ATOM 85 C GLU A 6 11.936 1.804 2.439 1.00 0.00 C ATOM 86 O GLU A 6 12.575 0.823 2.081 1.00 0.00 O ATOM 87 CB GLU A 6 12.725 3.816 3.685 1.00 0.00 C ATOM 88 CG GLU A 6 13.665 5.030 3.682 1.00 0.00 C ATOM 89 CD GLU A 6 13.719 5.704 5.055 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.674 6.255 5.468 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.801 5.647 5.679 1.00 0.00 O ATOM 0 H GLU A 6 11.378 4.882 1.960 1.00 0.00 H new ATOM 0 HA GLU A 6 13.520 3.099 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.750 4.119 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.115 3.062 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.667 4.714 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.328 5.750 2.936 1.00 0.00 H new ATOM 98 N GLU A 7 10.691 1.714 2.923 1.00 0.00 N ATOM 99 CA GLU A 7 9.990 0.434 3.079 1.00 0.00 C ATOM 100 C GLU A 7 9.911 -0.331 1.753 1.00 0.00 C ATOM 101 O GLU A 7 10.195 -1.525 1.718 1.00 0.00 O ATOM 102 CB GLU A 7 8.582 0.672 3.640 1.00 0.00 C ATOM 103 CG GLU A 7 8.592 1.048 5.131 1.00 0.00 C ATOM 104 CD GLU A 7 7.241 1.559 5.647 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.334 1.837 4.823 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.125 1.683 6.886 1.00 0.00 O ATOM 0 H GLU A 7 10.143 2.523 3.216 1.00 0.00 H new ATOM 0 HA GLU A 7 10.559 -0.177 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.099 1.467 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.983 -0.228 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.888 0.176 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.348 1.815 5.298 1.00 0.00 H new ATOM 113 N VAL A 8 9.585 0.354 0.654 1.00 0.00 N ATOM 114 CA VAL A 8 9.514 -0.230 -0.695 1.00 0.00 C ATOM 115 C VAL A 8 10.896 -0.652 -1.221 1.00 0.00 C ATOM 116 O VAL A 8 11.012 -1.604 -1.991 1.00 0.00 O ATOM 117 CB VAL A 8 8.818 0.766 -1.641 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.736 0.314 -3.104 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.360 0.945 -1.198 1.00 0.00 C ATOM 0 H VAL A 8 9.358 1.348 0.673 1.00 0.00 H new ATOM 0 HA VAL A 8 8.925 -1.146 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 8 9.423 1.671 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.230 1.079 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.742 0.161 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.177 -0.620 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.861 1.649 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.847 -0.016 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.334 1.329 -0.178 1.00 0.00 H new ATOM 129 N SER A 9 11.951 0.025 -0.758 1.00 0.00 N ATOM 130 CA SER A 9 13.366 -0.328 -0.966 1.00 0.00 C ATOM 131 C SER A 9 13.904 -1.373 0.028 1.00 0.00 C ATOM 132 O SER A 9 15.104 -1.659 0.014 1.00 0.00 O ATOM 133 CB SER A 9 14.257 0.921 -0.891 1.00 0.00 C ATOM 134 OG SER A 9 13.788 1.939 -1.747 1.00 0.00 O ATOM 0 H SER A 9 11.841 0.873 -0.202 1.00 0.00 H new ATOM 0 HA SER A 9 13.403 -0.773 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.284 1.289 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.279 0.658 -1.162 1.00 0.00 H new ATOM 0 HG SER A 9 13.045 2.412 -1.317 1.00 0.00 H new ATOM 140 N HIS A 10 13.071 -1.925 0.920 1.00 0.00 N ATOM 141 CA HIS A 10 13.464 -2.938 1.913 1.00 0.00 C ATOM 142 C HIS A 10 12.597 -4.201 1.813 1.00 0.00 C ATOM 143 O HIS A 10 13.106 -5.307 1.978 1.00 0.00 O ATOM 144 CB HIS A 10 13.438 -2.326 3.324 1.00 0.00 C ATOM 145 CG HIS A 10 14.418 -1.193 3.544 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.436 -0.804 2.698 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.420 -0.330 4.608 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.029 0.273 3.241 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.449 0.595 4.407 1.00 0.00 N ATOM 0 H HIS A 10 12.083 -1.676 0.974 1.00 0.00 H new ATOM 0 HA HIS A 10 14.485 -3.255 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.431 -1.961 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.645 -3.113 4.050 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.692 -1.253 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.747 -0.359 5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.858 0.806 2.799 1.00 0.00 H new ATOM 157 N ILE A 11 11.309 -4.042 1.501 1.00 0.00 N ATOM 158 CA ILE A 11 10.377 -5.103 1.127 1.00 0.00 C ATOM 159 C ILE A 11 10.406 -5.149 -0.410 1.00 0.00 C ATOM 160 O ILE A 11 9.887 -4.221 -1.029 1.00 0.00 O ATOM 161 CB ILE A 11 8.949 -4.802 1.646 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.913 -4.646 3.183 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.000 -5.932 1.196 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.584 -4.087 3.711 1.00 0.00 C ATOM 0 H ILE A 11 10.868 -3.122 1.503 1.00 0.00 H new ATOM 0 HA ILE A 11 10.662 -6.059 1.565 1.00 0.00 H new ATOM 0 HB ILE A 11 8.623 -3.852 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.098 -5.617 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.724 -3.987 3.492 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.993 -5.727 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.990 -5.987 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.346 -6.882 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.630 -4.004 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.406 -3.102 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.771 -4.757 3.432 1.00 0.00 H new ATOM 176 N PRO A 12 11.037 -6.150 -1.053 1.00 0.00 N ATOM 177 CA PRO A 12 11.114 -6.225 -2.511 1.00 0.00 C ATOM 178 C PRO A 12 9.782 -6.676 -3.131 1.00 0.00 C ATOM 179 O PRO A 12 8.890 -7.166 -2.440 1.00 0.00 O ATOM 180 CB PRO A 12 12.231 -7.240 -2.780 1.00 0.00 C ATOM 181 CG PRO A 12 12.101 -8.209 -1.606 1.00 0.00 C ATOM 182 CD PRO A 12 11.714 -7.289 -0.448 1.00 0.00 C ATOM 0 HA PRO A 12 11.319 -5.253 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.097 -7.744 -3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.212 -6.765 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.341 -8.968 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.036 -8.735 -1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.061 -7.802 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.595 -6.969 0.108 1.00 0.00 H new ATOM 190 N ALA A 13 9.682 -6.608 -4.466 1.00 0.00 N ATOM 191 CA ALA A 13 8.535 -7.109 -5.231 1.00 0.00 C ATOM 192 C ALA A 13 8.234 -8.604 -4.978 1.00 0.00 C ATOM 193 O ALA A 13 7.098 -9.047 -5.129 1.00 0.00 O ATOM 194 CB ALA A 13 8.788 -6.842 -6.718 1.00 0.00 C ATOM 0 H ALA A 13 10.408 -6.197 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 13 7.646 -6.576 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.944 -7.209 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.904 -5.770 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.697 -7.357 -7.031 1.00 0.00 H new ATOM 200 N VAL A 14 9.234 -9.377 -4.538 1.00 0.00 N ATOM 201 CA VAL A 14 9.081 -10.745 -4.042 1.00 0.00 C ATOM 202 C VAL A 14 8.634 -10.672 -2.576 1.00 0.00 C ATOM 203 O VAL A 14 9.419 -10.892 -1.657 1.00 0.00 O ATOM 204 CB VAL A 14 10.375 -11.570 -4.242 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.158 -13.047 -3.871 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.844 -11.534 -5.705 1.00 0.00 C ATOM 0 H VAL A 14 10.202 -9.055 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 14 8.318 -11.273 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 14 11.125 -11.119 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.085 -13.600 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.859 -13.119 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.376 -13.470 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.755 -12.123 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.067 -11.950 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.043 -10.503 -5.998 1.00 0.00 H new ATOM 216 N HIS A 15 7.347 -10.366 -2.372 1.00 0.00 N ATOM 217 CA HIS A 15 6.702 -10.289 -1.051 1.00 0.00 C ATOM 218 C HIS A 15 5.587 -11.347 -0.819 1.00 0.00 C ATOM 219 O HIS A 15 4.515 -11.002 -0.309 1.00 0.00 O ATOM 220 CB HIS A 15 6.257 -8.835 -0.795 1.00 0.00 C ATOM 221 CG HIS A 15 5.174 -8.312 -1.708 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.822 -8.340 -1.457 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.357 -7.635 -2.882 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.205 -7.696 -2.460 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.099 -7.252 -3.356 1.00 0.00 N ATOM 0 H HIS A 15 6.707 -10.159 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 15 7.439 -10.562 -0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.908 -8.757 0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.128 -8.186 -0.886 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.369 -8.773 -0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.305 -7.432 -3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.137 -7.555 -2.535 1.00 0.00 H new ATOM 233 N PRO A 16 5.797 -12.645 -1.138 1.00 0.00 N ATOM 234 CA PRO A 16 4.780 -13.680 -0.949 1.00 0.00 C ATOM 235 C PRO A 16 4.419 -13.830 0.535 1.00 0.00 C ATOM 236 O PRO A 16 5.288 -13.935 1.398 1.00 0.00 O ATOM 237 CB PRO A 16 5.371 -14.964 -1.540 1.00 0.00 C ATOM 238 CG PRO A 16 6.874 -14.769 -1.362 1.00 0.00 C ATOM 239 CD PRO A 16 7.047 -13.265 -1.563 1.00 0.00 C ATOM 0 HA PRO A 16 3.845 -13.427 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.015 -15.850 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.102 -15.086 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.209 -15.086 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.445 -15.343 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.886 -12.889 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.259 -13.035 -2.607 1.00 0.00 H new ATOM 247 N GLY A 17 3.118 -13.791 0.829 1.00 0.00 N ATOM 248 CA GLY A 17 2.561 -13.774 2.179 1.00 0.00 C ATOM 249 C GLY A 17 2.518 -12.385 2.827 1.00 0.00 C ATOM 250 O GLY A 17 1.898 -12.245 3.881 1.00 0.00 O ATOM 0 H GLY A 17 2.399 -13.770 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.549 -14.178 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.150 -14.439 2.811 1.00 0.00 H new ATOM 254 N SER A 18 3.108 -11.348 2.213 1.00 0.00 N ATOM 255 CA SER A 18 3.286 -10.020 2.815 1.00 0.00 C ATOM 256 C SER A 18 2.669 -8.888 1.992 1.00 0.00 C ATOM 257 O SER A 18 2.394 -9.007 0.796 1.00 0.00 O ATOM 258 CB SER A 18 4.795 -9.758 2.993 1.00 0.00 C ATOM 259 OG SER A 18 5.076 -8.486 3.565 1.00 0.00 O ATOM 0 H SER A 18 3.482 -11.411 1.266 1.00 0.00 H new ATOM 0 HA SER A 18 2.764 -10.027 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.221 -10.537 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.287 -9.831 2.023 1.00 0.00 H new ATOM 0 HG SER A 18 4.985 -7.792 2.880 1.00 0.00 H new ATOM 265 N PHE A 19 2.468 -7.764 2.679 1.00 0.00 N ATOM 266 CA PHE A 19 2.173 -6.461 2.100 1.00 0.00 C ATOM 267 C PHE A 19 3.498 -5.871 1.572 1.00 0.00 C ATOM 268 O PHE A 19 4.578 -6.293 2.001 1.00 0.00 O ATOM 269 CB PHE A 19 1.554 -5.591 3.214 1.00 0.00 C ATOM 270 CG PHE A 19 1.484 -4.094 2.956 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.745 -3.594 1.869 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.167 -3.194 3.797 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.701 -2.215 1.612 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.104 -1.809 3.555 1.00 0.00 C ATOM 275 CZ PHE A 19 1.372 -1.318 2.460 1.00 0.00 C ATOM 0 H PHE A 19 2.509 -7.739 3.698 1.00 0.00 H new ATOM 0 HA PHE A 19 1.469 -6.516 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.543 -5.951 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.126 -5.752 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.207 -4.276 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.742 -3.568 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.150 -1.843 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.619 -1.123 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.326 -0.256 2.271 1.00 0.00 H new ATOM 285 N ARG A 20 3.393 -4.892 0.662 1.00 0.00 N ATOM 286 CA ARG A 20 4.458 -4.017 0.167 1.00 0.00 C ATOM 287 C ARG A 20 3.813 -2.658 -0.157 1.00 0.00 C ATOM 288 O ARG A 20 2.796 -2.657 -0.856 1.00 0.00 O ATOM 289 CB ARG A 20 5.110 -4.622 -1.087 1.00 0.00 C ATOM 290 CG ARG A 20 6.305 -3.779 -1.557 1.00 0.00 C ATOM 291 CD ARG A 20 6.901 -4.318 -2.858 1.00 0.00 C ATOM 292 NE ARG A 20 8.208 -3.699 -3.114 1.00 0.00 N ATOM 293 CZ ARG A 20 8.725 -3.281 -4.257 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.067 -3.380 -5.386 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.922 -2.743 -4.262 1.00 0.00 N ATOM 0 H ARG A 20 2.497 -4.678 0.224 1.00 0.00 H new ATOM 0 HA ARG A 20 5.243 -3.900 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.441 -5.638 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.372 -4.689 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.987 -2.747 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.071 -3.770 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.010 -5.401 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.225 -4.113 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 20 8.801 -3.574 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.132 -3.788 -5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.490 -3.049 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.443 -2.651 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.331 -2.417 -5.138 1.00 0.00 H new ATOM 309 N PRO A 21 4.318 -1.519 0.357 1.00 0.00 N ATOM 310 CA PRO A 21 3.739 -0.218 0.041 1.00 0.00 C ATOM 311 C PRO A 21 3.881 0.191 -1.434 1.00 0.00 C ATOM 312 O PRO A 21 4.601 -0.421 -2.221 1.00 0.00 O ATOM 313 CB PRO A 21 4.413 0.803 0.966 1.00 0.00 C ATOM 314 CG PRO A 21 5.144 -0.034 2.012 1.00 0.00 C ATOM 315 CD PRO A 21 5.390 -1.379 1.330 1.00 0.00 C ATOM 0 HA PRO A 21 2.662 -0.264 0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.106 1.438 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.678 1.461 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.081 0.436 2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.544 -0.152 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.366 -1.401 0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.374 -2.195 2.053 1.00 0.00 H new ATOM 323 N LYS A 22 3.204 1.288 -1.781 1.00 0.00 N ATOM 324 CA LYS A 22 3.170 1.940 -3.093 1.00 0.00 C ATOM 325 C LYS A 22 3.316 3.454 -2.897 1.00 0.00 C ATOM 326 O LYS A 22 2.663 4.014 -2.014 1.00 0.00 O ATOM 327 CB LYS A 22 1.818 1.617 -3.755 1.00 0.00 C ATOM 328 CG LYS A 22 1.586 0.127 -4.077 1.00 0.00 C ATOM 329 CD LYS A 22 0.088 -0.198 -4.091 1.00 0.00 C ATOM 330 CE LYS A 22 -0.666 0.566 -5.183 1.00 0.00 C ATOM 331 NZ LYS A 22 -2.118 0.548 -4.935 1.00 0.00 N ATOM 0 H LYS A 22 2.622 1.780 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 22 3.982 1.585 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.019 1.959 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.738 2.189 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.024 -0.113 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.091 -0.493 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.047 -1.269 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.342 0.044 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.313 1.597 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.454 0.121 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.623 0.791 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.405 -0.401 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.353 1.241 -4.196 1.00 0.00 H new ATOM 345 N CYS A 23 4.114 4.136 -3.721 1.00 0.00 N ATOM 346 CA CYS A 23 4.372 5.577 -3.597 1.00 0.00 C ATOM 347 C CYS A 23 4.361 6.261 -4.965 1.00 0.00 C ATOM 348 O CYS A 23 4.632 5.641 -5.993 1.00 0.00 O ATOM 349 CB CYS A 23 5.749 5.822 -2.932 1.00 0.00 C ATOM 350 SG CYS A 23 6.429 4.549 -1.824 1.00 0.00 S ATOM 0 H CYS A 23 4.606 3.701 -4.502 1.00 0.00 H new ATOM 0 HA CYS A 23 3.579 5.999 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.475 5.988 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.681 6.750 -2.365 1.00 0.00 H new ATOM 355 N ASP A 24 4.064 7.560 -4.960 1.00 0.00 N ATOM 356 CA ASP A 24 4.182 8.426 -6.126 1.00 0.00 C ATOM 357 C ASP A 24 5.635 8.880 -6.372 1.00 0.00 C ATOM 358 O ASP A 24 6.524 8.662 -5.547 1.00 0.00 O ATOM 359 CB ASP A 24 3.204 9.609 -5.997 1.00 0.00 C ATOM 360 CG ASP A 24 3.326 10.372 -4.680 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.476 10.637 -4.262 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.262 10.644 -4.081 1.00 0.00 O ATOM 0 H ASP A 24 3.729 8.046 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 24 3.905 7.854 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.374 10.300 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.184 9.237 -6.097 1.00 0.00 H new ATOM 367 N GLU A 25 5.878 9.571 -7.494 1.00 0.00 N ATOM 368 CA GLU A 25 7.195 10.111 -7.853 1.00 0.00 C ATOM 369 C GLU A 25 7.736 11.147 -6.851 1.00 0.00 C ATOM 370 O GLU A 25 8.930 11.431 -6.837 1.00 0.00 O ATOM 371 CB GLU A 25 7.183 10.670 -9.292 1.00 0.00 C ATOM 372 CG GLU A 25 6.560 12.069 -9.508 1.00 0.00 C ATOM 373 CD GLU A 25 5.043 12.181 -9.309 1.00 0.00 C ATOM 374 OE1 GLU A 25 4.366 11.127 -9.279 1.00 0.00 O ATOM 375 OE2 GLU A 25 4.582 13.341 -9.210 1.00 0.00 O ATOM 0 H GLU A 25 5.156 9.773 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 25 7.890 9.273 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.212 10.701 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.647 9.962 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.046 12.768 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.796 12.395 -10.521 1.00 0.00 H new ATOM 382 N ASN A 26 6.860 11.689 -6.000 1.00 0.00 N ATOM 383 CA ASN A 26 7.166 12.627 -4.922 1.00 0.00 C ATOM 384 C ASN A 26 7.606 11.891 -3.639 1.00 0.00 C ATOM 385 O ASN A 26 7.980 12.535 -2.661 1.00 0.00 O ATOM 386 CB ASN A 26 5.926 13.517 -4.662 1.00 0.00 C ATOM 387 CG ASN A 26 5.055 13.711 -5.899 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.185 12.905 -6.190 1.00 0.00 O ATOM 389 ND2 ASN A 26 5.310 14.715 -6.711 1.00 0.00 N ATOM 0 H ASN A 26 5.865 11.472 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 26 8.004 13.255 -5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.326 13.070 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.255 14.491 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.782 14.817 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.035 15.391 -6.473 1.00 0.00 H new ATOM 396 N GLY A 27 7.542 10.549 -3.624 1.00 0.00 N ATOM 397 CA GLY A 27 7.871 9.697 -2.486 1.00 0.00 C ATOM 398 C GLY A 27 6.764 9.579 -1.437 1.00 0.00 C ATOM 399 O GLY A 27 6.965 8.904 -0.426 1.00 0.00 O ATOM 0 H GLY A 27 7.247 10.014 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.113 8.700 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.769 10.086 -2.005 1.00 0.00 H new ATOM 403 N ASN A 28 5.604 10.202 -1.645 1.00 0.00 N ATOM 404 CA ASN A 28 4.453 10.087 -0.757 1.00 0.00 C ATOM 405 C ASN A 28 3.740 8.750 -1.027 1.00 0.00 C ATOM 406 O ASN A 28 3.692 8.292 -2.173 1.00 0.00 O ATOM 407 CB ASN A 28 3.547 11.320 -0.963 1.00 0.00 C ATOM 408 CG ASN A 28 2.115 11.043 -0.539 1.00 0.00 C ATOM 409 OD1 ASN A 28 1.807 10.949 0.636 1.00 0.00 O ATOM 410 ND2 ASN A 28 1.241 10.791 -1.488 1.00 0.00 N ATOM 0 H ASN A 28 5.438 10.809 -2.448 1.00 0.00 H new ATOM 0 HA ASN A 28 4.751 10.077 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.940 12.160 -0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.565 11.614 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.290 10.513 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.513 10.874 -2.467 1.00 0.00 H new ATOM 417 N TYR A 29 3.152 8.156 0.021 1.00 0.00 N ATOM 418 CA TYR A 29 2.309 6.964 -0.083 1.00 0.00 C ATOM 419 C TYR A 29 1.177 7.206 -1.084 1.00 0.00 C ATOM 420 O TYR A 29 0.404 8.157 -0.937 1.00 0.00 O ATOM 421 CB TYR A 29 1.727 6.588 1.290 1.00 0.00 C ATOM 422 CG TYR A 29 2.724 5.983 2.260 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.457 6.814 3.129 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.911 4.586 2.301 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.379 6.255 4.032 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.840 4.021 3.197 1.00 0.00 C ATOM 427 CZ TYR A 29 4.578 4.859 4.059 1.00 0.00 C ATOM 428 OH TYR A 29 5.512 4.340 4.895 1.00 0.00 O ATOM 0 H TYR A 29 3.252 8.498 0.977 1.00 0.00 H new ATOM 0 HA TYR A 29 2.925 6.137 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.297 7.481 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.911 5.881 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.311 7.884 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.340 3.947 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.934 6.894 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.986 2.951 3.224 1.00 0.00 H new ATOM 0 HH TYR A 29 5.840 3.491 4.532 1.00 0.00 H new ATOM 438 N LEU A 30 1.077 6.344 -2.105 1.00 0.00 N ATOM 439 CA LEU A 30 -0.032 6.406 -3.049 1.00 0.00 C ATOM 440 C LEU A 30 -1.362 6.283 -2.269 1.00 0.00 C ATOM 441 O LEU A 30 -1.414 5.534 -1.287 1.00 0.00 O ATOM 442 CB LEU A 30 0.106 5.335 -4.150 1.00 0.00 C ATOM 443 CG LEU A 30 0.866 5.856 -5.385 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.315 4.701 -6.281 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.035 6.819 -6.240 1.00 0.00 C ATOM 0 H LEU A 30 1.750 5.601 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.021 7.367 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.627 4.467 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.886 4.999 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 30 1.726 6.395 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.849 5.097 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.974 4.040 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.442 4.142 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.626 7.150 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.861 6.310 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.252 7.683 -5.640 1.00 0.00 H new ATOM 457 N PRO A 31 -2.451 6.962 -2.678 1.00 0.00 N ATOM 458 CA PRO A 31 -3.663 7.073 -1.861 1.00 0.00 C ATOM 459 C PRO A 31 -4.395 5.744 -1.634 1.00 0.00 C ATOM 460 O PRO A 31 -5.157 5.646 -0.674 1.00 0.00 O ATOM 461 CB PRO A 31 -4.525 8.118 -2.572 1.00 0.00 C ATOM 462 CG PRO A 31 -4.093 8.017 -4.032 1.00 0.00 C ATOM 463 CD PRO A 31 -2.599 7.713 -3.914 1.00 0.00 C ATOM 0 HA PRO A 31 -3.414 7.374 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.588 7.907 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.353 9.117 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.628 7.227 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.277 8.944 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.248 7.135 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.013 8.631 -3.888 1.00 0.00 H new ATOM 471 N LEU A 32 -4.116 4.733 -2.469 1.00 0.00 N ATOM 472 CA LEU A 32 -4.505 3.332 -2.339 1.00 0.00 C ATOM 473 C LEU A 32 -3.249 2.503 -2.026 1.00 0.00 C ATOM 474 O LEU A 32 -2.249 2.611 -2.737 1.00 0.00 O ATOM 475 CB LEU A 32 -5.133 2.872 -3.673 1.00 0.00 C ATOM 476 CG LEU A 32 -5.679 1.428 -3.661 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.027 1.321 -2.965 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.879 0.918 -5.090 1.00 0.00 C ATOM 0 H LEU A 32 -3.570 4.892 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.230 3.201 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.945 3.552 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.384 2.957 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.940 0.836 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.365 0.285 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.930 1.651 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.753 1.950 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.264 -0.101 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.590 1.561 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.925 0.931 -5.618 1.00 0.00 H new ATOM 490 N GLN A 33 -3.318 1.634 -1.015 1.00 0.00 N ATOM 491 CA GLN A 33 -2.293 0.637 -0.696 1.00 0.00 C ATOM 492 C GLN A 33 -2.902 -0.766 -0.785 1.00 0.00 C ATOM 493 O GLN A 33 -4.080 -0.946 -0.475 1.00 0.00 O ATOM 494 CB GLN A 33 -1.734 0.882 0.711 1.00 0.00 C ATOM 495 CG GLN A 33 -1.036 2.235 0.892 1.00 0.00 C ATOM 496 CD GLN A 33 0.218 2.421 0.053 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.162 1.650 0.124 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.309 3.479 -0.721 1.00 0.00 N ATOM 0 H GLN A 33 -4.113 1.604 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.475 0.721 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.550 0.810 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.027 0.088 0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.742 3.028 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.774 2.356 1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.473 4.130 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.162 3.649 -1.254 1.00 0.00 H new ATOM 507 N CYS A 34 -2.104 -1.760 -1.197 1.00 0.00 N ATOM 508 CA CYS A 34 -2.585 -3.117 -1.457 1.00 0.00 C ATOM 509 C CYS A 34 -1.640 -4.197 -0.920 1.00 0.00 C ATOM 510 O CYS A 34 -0.454 -4.234 -1.246 1.00 0.00 O ATOM 511 CB CYS A 34 -2.813 -3.302 -2.962 1.00 0.00 C ATOM 512 SG CYS A 34 -4.072 -2.238 -3.720 1.00 0.00 S ATOM 0 H CYS A 34 -1.104 -1.642 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.527 -3.238 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.867 -3.131 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.090 -4.341 -3.141 1.00 0.00 H new ATOM 517 N TYR A 35 -2.193 -5.140 -0.157 1.00 0.00 N ATOM 518 CA TYR A 35 -1.540 -6.372 0.284 1.00 0.00 C ATOM 519 C TYR A 35 -1.681 -7.388 -0.858 1.00 0.00 C ATOM 520 O TYR A 35 -2.436 -8.360 -0.794 1.00 0.00 O ATOM 521 CB TYR A 35 -2.151 -6.778 1.636 1.00 0.00 C ATOM 522 CG TYR A 35 -1.583 -7.948 2.432 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.709 -8.911 1.883 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.981 -8.070 3.778 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.266 -9.993 2.667 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.519 -9.136 4.571 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.655 -10.102 4.019 1.00 0.00 C ATOM 528 OH TYR A 35 -0.199 -11.118 4.800 1.00 0.00 O ATOM 0 H TYR A 35 -3.151 -5.062 0.185 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.471 -6.277 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.109 -5.901 2.282 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.205 -6.993 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.379 -8.817 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.648 -7.337 4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.376 -10.744 2.231 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.827 -9.214 5.603 1.00 0.00 H new ATOM 0 HH TYR A 35 0.742 -11.295 4.590 1.00 0.00 H new ATOM 538 N GLY A 36 -0.925 -7.118 -1.932 1.00 0.00 N ATOM 539 CA GLY A 36 -1.010 -7.799 -3.224 1.00 0.00 C ATOM 540 C GLY A 36 -0.991 -9.325 -3.136 1.00 0.00 C ATOM 541 O GLY A 36 -1.744 -9.974 -3.856 1.00 0.00 O ATOM 0 H GLY A 36 -0.211 -6.390 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.926 -7.488 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.178 -7.473 -3.848 1.00 0.00 H new ATOM 545 N SER A 37 -0.205 -9.900 -2.212 1.00 0.00 N ATOM 546 CA SER A 37 -0.134 -11.353 -2.013 1.00 0.00 C ATOM 547 C SER A 37 -1.446 -12.015 -1.553 1.00 0.00 C ATOM 548 O SER A 37 -1.491 -13.246 -1.554 1.00 0.00 O ATOM 549 CB SER A 37 0.994 -11.719 -1.045 1.00 0.00 C ATOM 550 OG SER A 37 1.101 -13.129 -1.017 1.00 0.00 O ATOM 0 H SER A 37 0.398 -9.370 -1.583 1.00 0.00 H new ATOM 0 HA SER A 37 0.070 -11.753 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.934 -11.271 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.782 -11.332 -0.048 1.00 0.00 H new ATOM 0 HG SER A 37 0.243 -13.527 -1.274 1.00 0.00 H new ATOM 556 N ILE A 38 -2.481 -11.256 -1.163 1.00 0.00 N ATOM 557 CA ILE A 38 -3.839 -11.741 -0.914 1.00 0.00 C ATOM 558 C ILE A 38 -4.897 -10.979 -1.738 1.00 0.00 C ATOM 559 O ILE A 38 -6.083 -11.275 -1.630 1.00 0.00 O ATOM 560 CB ILE A 38 -4.153 -11.701 0.597 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.088 -10.279 1.190 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.249 -12.678 1.370 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.702 -10.158 2.590 1.00 0.00 C ATOM 0 H ILE A 38 -2.388 -10.252 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.886 -12.777 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.187 -12.026 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.046 -9.962 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.603 -9.592 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.489 -12.632 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.413 -13.692 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.205 -12.403 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.617 -9.128 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.754 -10.442 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.172 -10.817 3.278 1.00 0.00 H new ATOM 575 N GLY A 39 -4.488 -9.993 -2.550 1.00 0.00 N ATOM 576 CA GLY A 39 -5.351 -9.191 -3.423 1.00 0.00 C ATOM 577 C GLY A 39 -6.060 -8.011 -2.747 1.00 0.00 C ATOM 578 O GLY A 39 -6.698 -7.221 -3.439 1.00 0.00 O ATOM 0 H GLY A 39 -3.507 -9.723 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.749 -8.807 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.106 -9.845 -3.858 1.00 0.00 H new ATOM 582 N TYR A 40 -5.937 -7.851 -1.424 1.00 0.00 N ATOM 583 CA TYR A 40 -6.709 -6.857 -0.665 1.00 0.00 C ATOM 584 C TYR A 40 -6.075 -5.465 -0.756 1.00 0.00 C ATOM 585 O TYR A 40 -4.853 -5.338 -0.836 1.00 0.00 O ATOM 586 CB TYR A 40 -6.790 -7.257 0.821 1.00 0.00 C ATOM 587 CG TYR A 40 -7.934 -8.185 1.196 1.00 0.00 C ATOM 588 CD1 TYR A 40 -7.994 -9.495 0.683 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.934 -7.738 2.085 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.040 -10.359 1.057 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.985 -8.595 2.456 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.035 -9.911 1.954 1.00 0.00 C ATOM 593 OH TYR A 40 -11.046 -10.738 2.337 1.00 0.00 O ATOM 0 H TYR A 40 -5.302 -8.405 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.707 -6.826 -1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.852 -7.737 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.873 -6.349 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.233 -9.839 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.892 -6.734 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.082 -11.362 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.755 -8.244 3.127 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.638 -10.265 2.958 1.00 0.00 H new ATOM 603 N CYS A 41 -6.902 -4.418 -0.654 1.00 0.00 N ATOM 604 CA CYS A 41 -6.463 -3.022 -0.614 1.00 0.00 C ATOM 605 C CYS A 41 -7.219 -2.199 0.434 1.00 0.00 C ATOM 606 O CYS A 41 -8.276 -2.602 0.920 1.00 0.00 O ATOM 607 CB CYS A 41 -6.626 -2.367 -1.994 1.00 0.00 C ATOM 608 SG CYS A 41 -5.853 -3.194 -3.413 1.00 0.00 S ATOM 0 H CYS A 41 -7.915 -4.522 -0.596 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.410 -3.034 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.693 -2.275 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.225 -1.355 -1.935 1.00 0.00 H new ATOM 613 N TRP A 42 -6.678 -1.023 0.749 1.00 0.00 N ATOM 614 CA TRP A 42 -7.291 0.038 1.551 1.00 0.00 C ATOM 615 C TRP A 42 -6.786 1.401 1.057 1.00 0.00 C ATOM 616 O TRP A 42 -5.759 1.482 0.377 1.00 0.00 O ATOM 617 CB TRP A 42 -6.963 -0.166 3.034 1.00 0.00 C ATOM 618 CG TRP A 42 -5.510 -0.270 3.359 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.698 0.754 3.700 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.675 -1.463 3.323 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.417 0.270 3.904 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.342 -1.083 3.644 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.910 -2.823 3.027 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.284 -2.001 3.648 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.859 -3.755 3.030 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.548 -3.347 3.335 1.00 0.00 C ATOM 0 H TRP A 42 -5.742 -0.769 0.432 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.375 0.004 1.440 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.386 0.664 3.600 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.461 -1.073 3.378 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.000 1.786 3.798 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.629 0.841 4.208 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.912 -3.152 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.281 -1.680 3.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.059 -4.790 2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.743 -4.067 3.329 1.00 0.00 H new ATOM 637 N CYS A 43 -7.465 2.487 1.433 1.00 0.00 N ATOM 638 CA CYS A 43 -6.944 3.836 1.200 1.00 0.00 C ATOM 639 C CYS A 43 -6.077 4.269 2.387 1.00 0.00 C ATOM 640 O CYS A 43 -6.269 3.776 3.501 1.00 0.00 O ATOM 641 CB CYS A 43 -8.081 4.838 0.972 1.00 0.00 C ATOM 642 SG CYS A 43 -9.204 4.488 -0.399 1.00 0.00 S ATOM 0 H CYS A 43 -8.372 2.459 1.898 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.333 3.818 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.670 4.900 1.887 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.641 5.822 0.809 1.00 0.00 H new ATOM 647 N VAL A 44 -5.161 5.221 2.180 1.00 0.00 N ATOM 648 CA VAL A 44 -4.288 5.740 3.251 1.00 0.00 C ATOM 649 C VAL A 44 -4.212 7.266 3.308 1.00 0.00 C ATOM 650 O VAL A 44 -4.534 7.975 2.352 1.00 0.00 O ATOM 651 CB VAL A 44 -2.853 5.181 3.168 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.828 3.674 3.425 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.156 5.519 1.845 1.00 0.00 C ATOM 0 H VAL A 44 -5.000 5.655 1.271 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.767 5.390 4.165 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.287 5.677 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.802 3.311 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.223 3.468 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.441 3.168 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.150 5.099 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.724 5.097 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.097 6.601 1.731 1.00 0.00 H new ATOM 663 N PHE A 45 -3.769 7.768 4.458 1.00 0.00 N ATOM 664 CA PHE A 45 -3.357 9.151 4.682 1.00 0.00 C ATOM 665 C PHE A 45 -1.865 9.297 4.280 1.00 0.00 C ATOM 666 O PHE A 45 -1.169 8.283 4.182 1.00 0.00 O ATOM 667 CB PHE A 45 -3.609 9.492 6.159 1.00 0.00 C ATOM 668 CG PHE A 45 -5.075 9.427 6.564 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.974 10.414 6.114 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.553 8.381 7.378 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.330 10.362 6.486 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.908 8.328 7.752 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.796 9.322 7.311 1.00 0.00 C ATOM 0 H PHE A 45 -3.684 7.195 5.298 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.929 9.851 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.039 8.804 6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.230 10.494 6.360 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.621 11.214 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.873 7.613 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.014 11.122 6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.265 7.523 8.378 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.835 9.288 7.604 1.00 0.00 H new ATOM 683 N PRO A 46 -1.336 10.520 4.057 1.00 0.00 N ATOM 684 CA PRO A 46 0.016 10.747 3.513 1.00 0.00 C ATOM 685 C PRO A 46 1.208 10.093 4.239 1.00 0.00 C ATOM 686 O PRO A 46 2.290 10.005 3.664 1.00 0.00 O ATOM 687 CB PRO A 46 0.187 12.269 3.483 1.00 0.00 C ATOM 688 CG PRO A 46 -1.238 12.770 3.274 1.00 0.00 C ATOM 689 CD PRO A 46 -2.065 11.783 4.094 1.00 0.00 C ATOM 0 HA PRO A 46 0.054 10.255 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.615 12.645 4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.848 12.585 2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.363 13.794 3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.521 12.759 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.187 12.133 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.065 11.669 3.675 1.00 0.00 H new ATOM 697 N ASN A 47 1.040 9.613 5.479 1.00 0.00 N ATOM 698 CA ASN A 47 2.044 8.872 6.235 1.00 0.00 C ATOM 699 C ASN A 47 1.903 7.336 6.134 1.00 0.00 C ATOM 700 O ASN A 47 2.669 6.622 6.779 1.00 0.00 O ATOM 701 CB ASN A 47 2.025 9.356 7.696 1.00 0.00 C ATOM 702 CG ASN A 47 0.875 8.776 8.507 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.179 8.421 7.988 1.00 0.00 O ATOM 704 ND2 ASN A 47 1.049 8.624 9.805 1.00 0.00 N ATOM 0 H ASN A 47 0.169 9.737 5.996 1.00 0.00 H new ATOM 0 HA ASN A 47 3.015 9.082 5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.968 9.088 8.173 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.958 10.444 7.710 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.309 8.213 10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.923 8.918 10.240 1.00 0.00 H new ATOM 711 N GLY A 48 0.919 6.829 5.377 1.00 0.00 N ATOM 712 CA GLY A 48 0.631 5.402 5.211 1.00 0.00 C ATOM 713 C GLY A 48 -0.447 4.848 6.155 1.00 0.00 C ATOM 714 O GLY A 48 -0.722 3.651 6.112 1.00 0.00 O ATOM 0 H GLY A 48 0.282 7.423 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.318 5.226 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.552 4.840 5.364 1.00 0.00 H new ATOM 718 N THR A 49 -1.067 5.685 7.001 1.00 0.00 N ATOM 719 CA THR A 49 -2.117 5.262 7.946 1.00 0.00 C ATOM 720 C THR A 49 -3.393 4.930 7.179 1.00 0.00 C ATOM 721 O THR A 49 -3.834 5.738 6.367 1.00 0.00 O ATOM 722 CB THR A 49 -2.441 6.354 8.980 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.268 6.804 9.605 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.384 5.869 10.082 1.00 0.00 C ATOM 0 H THR A 49 -0.854 6.681 7.050 1.00 0.00 H new ATOM 0 HA THR A 49 -1.741 4.387 8.476 1.00 0.00 H new ATOM 0 HB THR A 49 -2.928 7.153 8.421 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.630 7.106 8.925 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.576 6.683 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.325 5.543 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.925 5.035 10.613 1.00 0.00 H new ATOM 732 N GLU A 50 -4.001 3.769 7.435 1.00 0.00 N ATOM 733 CA GLU A 50 -5.245 3.347 6.787 1.00 0.00 C ATOM 734 C GLU A 50 -6.428 4.299 7.047 1.00 0.00 C ATOM 735 O GLU A 50 -6.672 4.723 8.176 1.00 0.00 O ATOM 736 CB GLU A 50 -5.589 1.916 7.245 1.00 0.00 C ATOM 737 CG GLU A 50 -6.907 1.406 6.638 1.00 0.00 C ATOM 738 CD GLU A 50 -7.198 -0.060 6.954 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.354 -0.912 6.600 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.282 -0.308 7.530 1.00 0.00 O ATOM 0 H GLU A 50 -3.640 3.089 8.104 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.077 3.373 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.779 1.243 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.660 1.893 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.729 2.019 7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.874 1.536 5.556 1.00 0.00 H new ATOM 747 N VAL A 51 -7.207 4.562 5.990 1.00 0.00 N ATOM 748 CA VAL A 51 -8.517 5.213 6.046 1.00 0.00 C ATOM 749 C VAL A 51 -9.507 4.082 6.381 1.00 0.00 C ATOM 750 O VAL A 51 -9.713 3.192 5.541 1.00 0.00 O ATOM 751 CB VAL A 51 -8.885 5.879 4.706 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.265 6.548 4.783 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.866 6.946 4.285 1.00 0.00 C ATOM 0 H VAL A 51 -6.930 4.317 5.039 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.531 6.013 6.786 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.890 5.078 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.499 7.010 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.020 5.798 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.256 7.311 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.171 7.385 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.819 7.725 5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.883 6.487 4.174 1.00 0.00 H new ATOM 763 N PRO A 52 -10.075 4.052 7.603 1.00 0.00 N ATOM 764 CA PRO A 52 -10.826 2.902 8.099 1.00 0.00 C ATOM 765 C PRO A 52 -12.055 2.573 7.247 1.00 0.00 C ATOM 766 O PRO A 52 -12.606 3.422 6.548 1.00 0.00 O ATOM 767 CB PRO A 52 -11.185 3.232 9.552 1.00 0.00 C ATOM 768 CG PRO A 52 -11.168 4.759 9.588 1.00 0.00 C ATOM 769 CD PRO A 52 -10.056 5.109 8.603 1.00 0.00 C ATOM 0 HA PRO A 52 -10.224 1.995 8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.163 2.835 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.464 2.806 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.126 5.181 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.956 5.138 10.588 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.228 6.084 8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.089 5.158 9.104 1.00 0.00 H new ATOM 777 N ASN A 53 -12.476 1.306 7.322 1.00 0.00 N ATOM 778 CA ASN A 53 -13.566 0.690 6.562 1.00 0.00 C ATOM 779 C ASN A 53 -13.387 0.666 5.030 1.00 0.00 C ATOM 780 O ASN A 53 -14.237 0.100 4.347 1.00 0.00 O ATOM 781 CB ASN A 53 -14.911 1.301 6.992 1.00 0.00 C ATOM 782 CG ASN A 53 -15.112 1.270 8.499 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.128 0.221 9.121 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.251 2.417 9.132 1.00 0.00 N ATOM 0 H ASN A 53 -12.035 0.641 7.957 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.548 -0.369 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.966 2.332 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.724 0.758 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.372 2.429 10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.237 3.293 8.609 1.00 0.00 H new ATOM 791 N THR A 54 -12.285 1.194 4.472 1.00 0.00 N ATOM 792 CA THR A 54 -11.964 1.002 3.048 1.00 0.00 C ATOM 793 C THR A 54 -11.499 -0.428 2.786 1.00 0.00 C ATOM 794 O THR A 54 -11.783 -0.969 1.717 1.00 0.00 O ATOM 795 CB THR A 54 -10.904 1.994 2.529 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.699 1.940 3.271 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.438 3.426 2.580 1.00 0.00 C ATOM 0 H THR A 54 -11.604 1.755 4.983 1.00 0.00 H new ATOM 0 HA THR A 54 -12.887 1.196 2.501 1.00 0.00 H new ATOM 0 HB THR A 54 -10.690 1.701 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.737 2.590 4.004 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.676 4.112 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.330 3.504 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.690 3.684 3.609 1.00 0.00 H new ATOM 805 N ARG A 55 -10.832 -1.049 3.774 1.00 0.00 N ATOM 806 CA ARG A 55 -10.126 -2.325 3.663 1.00 0.00 C ATOM 807 C ARG A 55 -10.998 -3.409 3.016 1.00 0.00 C ATOM 808 O ARG A 55 -11.933 -3.923 3.638 1.00 0.00 O ATOM 809 CB ARG A 55 -9.517 -2.720 5.021 1.00 0.00 C ATOM 810 CG ARG A 55 -8.560 -3.929 4.918 1.00 0.00 C ATOM 811 CD ARG A 55 -9.041 -5.173 5.679 1.00 0.00 C ATOM 812 NE ARG A 55 -10.395 -5.562 5.265 1.00 0.00 N ATOM 813 CZ ARG A 55 -11.016 -6.715 5.424 1.00 0.00 C ATOM 814 NH1 ARG A 55 -10.435 -7.751 5.979 1.00 0.00 N ATOM 815 NH2 ARG A 55 -12.256 -6.810 5.009 1.00 0.00 N ATOM 0 H ARG A 55 -10.771 -0.652 4.712 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.287 -2.209 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.976 -1.868 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.320 -2.956 5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.429 -4.187 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.581 -3.638 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.353 -5.999 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.029 -4.973 6.751 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.931 -4.838 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.471 -7.681 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.947 -8.627 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.712 -6.006 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.764 -7.688 5.117 1.00 0.00 H new ATOM 829 N SER A 56 -10.686 -3.737 1.761 1.00 0.00 N ATOM 830 CA SER A 56 -11.509 -4.566 0.881 1.00 0.00 C ATOM 831 C SER A 56 -10.697 -5.586 0.087 1.00 0.00 C ATOM 832 O SER A 56 -9.483 -5.452 -0.058 1.00 0.00 O ATOM 833 CB SER A 56 -12.280 -3.669 -0.098 1.00 0.00 C ATOM 834 OG SER A 56 -13.167 -2.796 0.574 1.00 0.00 O ATOM 0 H SER A 56 -9.824 -3.422 1.315 1.00 0.00 H new ATOM 0 HA SER A 56 -12.192 -5.123 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.574 -3.085 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.841 -4.291 -0.795 1.00 0.00 H new ATOM 0 HG SER A 56 -12.689 -2.334 1.294 1.00 0.00 H new ATOM 840 N ARG A 57 -11.405 -6.560 -0.504 1.00 0.00 N ATOM 841 CA ARG A 57 -10.920 -7.687 -1.321 1.00 0.00 C ATOM 842 C ARG A 57 -10.193 -7.265 -2.611 1.00 0.00 C ATOM 843 O ARG A 57 -9.675 -8.118 -3.325 1.00 0.00 O ATOM 844 CB ARG A 57 -12.120 -8.585 -1.698 1.00 0.00 C ATOM 845 CG ARG A 57 -12.820 -9.355 -0.559 1.00 0.00 C ATOM 846 CD ARG A 57 -13.491 -8.520 0.542 1.00 0.00 C ATOM 847 NE ARG A 57 -14.327 -7.438 -0.011 1.00 0.00 N ATOM 848 CZ ARG A 57 -14.645 -6.309 0.604 1.00 0.00 C ATOM 849 NH1 ARG A 57 -14.396 -6.135 1.878 1.00 0.00 N ATOM 850 NH2 ARG A 57 -15.193 -5.317 -0.056 1.00 0.00 N ATOM 0 H ARG A 57 -12.421 -6.583 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.188 -8.216 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.866 -7.960 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.778 -9.312 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.578 -10.000 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.083 -10.006 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.106 -9.170 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.725 -8.091 1.188 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.694 -7.571 -0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.949 -6.877 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.649 -5.257 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.379 -5.410 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.433 -4.453 0.429 1.00 0.00 H new ATOM 864 N GLY A 58 -10.190 -5.967 -2.918 1.00 0.00 N ATOM 865 CA GLY A 58 -9.578 -5.361 -4.096 1.00 0.00 C ATOM 866 C GLY A 58 -9.543 -3.832 -4.019 1.00 0.00 C ATOM 867 O GLY A 58 -9.911 -3.240 -3.001 1.00 0.00 O ATOM 0 H GLY A 58 -10.639 -5.275 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.562 -5.739 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.131 -5.664 -4.985 1.00 0.00 H new ATOM 871 N HIS A 59 -9.076 -3.214 -5.109 1.00 0.00 N ATOM 872 CA HIS A 59 -8.876 -1.771 -5.284 1.00 0.00 C ATOM 873 C HIS A 59 -10.154 -0.930 -5.085 1.00 0.00 C ATOM 874 O HIS A 59 -11.272 -1.431 -5.202 1.00 0.00 O ATOM 875 CB HIS A 59 -8.328 -1.518 -6.704 1.00 0.00 C ATOM 876 CG HIS A 59 -7.222 -2.448 -7.149 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.382 -3.542 -7.972 1.00 0.00 N ATOM 878 CD2 HIS A 59 -5.888 -2.352 -6.849 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.168 -4.092 -8.149 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.232 -3.405 -7.485 1.00 0.00 N ATOM 0 H HIS A 59 -8.812 -3.739 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.175 -1.455 -4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.153 -1.597 -7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.960 -0.493 -6.756 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.427 -1.596 -6.231 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.975 -4.970 -8.747 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.234 -3.611 -7.451 1.00 0.00 H new ATOM 888 N HIS A 60 -9.980 0.380 -4.861 1.00 0.00 N ATOM 889 CA HIS A 60 -11.065 1.367 -4.801 1.00 0.00 C ATOM 890 C HIS A 60 -10.567 2.786 -5.143 1.00 0.00 C ATOM 891 O HIS A 60 -9.367 3.054 -5.205 1.00 0.00 O ATOM 892 CB HIS A 60 -11.805 1.294 -3.447 1.00 0.00 C ATOM 893 CG HIS A 60 -11.016 0.718 -2.297 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.214 -0.516 -1.723 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.933 1.280 -1.686 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.276 -0.669 -0.774 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.475 0.399 -0.718 1.00 0.00 N ATOM 0 H HIS A 60 -9.059 0.792 -4.713 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.795 1.116 -5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.126 2.300 -3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.707 0.697 -3.579 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.938 -1.190 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.506 2.245 -1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.182 -1.539 -0.141 1.00 0.00 H new ATOM 905 N ASN A 61 -11.510 3.705 -5.378 1.00 0.00 N ATOM 906 CA ASN A 61 -11.328 5.038 -5.936 1.00 0.00 C ATOM 907 C ASN A 61 -10.894 6.054 -4.870 1.00 0.00 C ATOM 908 O ASN A 61 -11.605 7.017 -4.586 1.00 0.00 O ATOM 909 CB ASN A 61 -12.635 5.451 -6.645 1.00 0.00 C ATOM 910 CG ASN A 61 -13.077 4.449 -7.702 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.643 3.411 -7.395 1.00 0.00 O ATOM 912 ND2 ASN A 61 -12.830 4.718 -8.968 1.00 0.00 N ATOM 0 H ASN A 61 -12.490 3.517 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.517 5.021 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.426 5.561 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.497 6.426 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.112 4.059 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.357 5.585 -9.222 1.00 0.00 H new ATOM 919 N CYS A 62 -9.730 5.818 -4.260 1.00 0.00 N ATOM 920 CA CYS A 62 -9.227 6.631 -3.156 1.00 0.00 C ATOM 921 C CYS A 62 -9.069 8.115 -3.534 1.00 0.00 C ATOM 922 O CYS A 62 -8.205 8.468 -4.339 1.00 0.00 O ATOM 923 CB CYS A 62 -7.894 6.070 -2.664 1.00 0.00 C ATOM 924 SG CYS A 62 -7.980 4.392 -2.020 1.00 0.00 S ATOM 0 H CYS A 62 -9.108 5.053 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.968 6.584 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.179 6.093 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.505 6.725 -1.885 1.00 0.00 H new