USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 514 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 44 CYS SG : rot 114:sc= 0.512 USER MOD Set 1.2: A 54 CYS SG : rot -138:sc= 0.601 USER MOD Set 1.3: A 57 CYS SG : rot -152:sc= 0.739 USER MOD Set 2.1: A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0241) USER MOD Set 2.2: A 53 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Set 3.1: A 2 CYS SG : rot 146:sc= 1.11 USER MOD Set 3.2: A 5 CYS SG : rot -30:sc= 0.418 USER MOD Set 3.3: A 19 CYS SG : rot -121:sc= 0.446 USER MOD Set 3.4: A 22 CYS SG : rot 151:sc= 0.194 USER MOD Single : A 1 LEU N :NH3+ -176:sc= 0.288 (180deg=0.266) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.291 F(o=-1,f=-0.29) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -67:sc= 0.175 USER MOD Single : A 21 SER OG : rot 130:sc= 0.0347 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc=-0.00135 (180deg=-0.103) USER MOD Single : A 33 GLN : amide:sc= 0.0403 X(o=0.04,f=0) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.0811 F(o=-0.84,f=-0.081) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 85:sc= 0.886 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.0661 (180deg=-0.00495) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00593) USER MOD Single : A 62 CYS SG : rot 120:sc= 0.64 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 67 MET CE :methyl -160:sc= -0.748 (180deg=-1.6) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0796 F(o=-1.2!,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.353 7.401 4.515 1.00 0.00 N ATOM 2 CA LEU A 1 10.319 6.366 4.127 1.00 0.00 C ATOM 3 C LEU A 1 9.638 5.246 3.356 1.00 0.00 C ATOM 4 O LEU A 1 10.252 4.649 2.475 1.00 0.00 O ATOM 5 CB LEU A 1 11.172 5.953 5.359 1.00 0.00 C ATOM 6 CG LEU A 1 12.553 5.290 5.108 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.481 3.757 5.015 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.345 5.924 3.949 1.00 0.00 C ATOM 0 H1 LEU A 1 9.853 8.186 4.980 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.865 7.755 3.668 1.00 0.00 H new ATOM 0 H3 LEU A 1 8.656 6.996 5.173 1.00 0.00 H new ATOM 0 HA LEU A 1 11.044 6.753 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.336 6.845 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.577 5.265 5.960 1.00 0.00 H new ATOM 0 HG LEU A 1 13.134 5.508 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.479 3.356 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.087 3.354 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.825 3.473 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.298 5.408 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.772 5.837 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.526 6.977 4.165 1.00 0.00 H new ATOM 22 N CYS A 2 8.303 5.004 3.604 1.00 0.00 N ATOM 23 CA CYS A 2 7.352 4.121 2.934 1.00 0.00 C ATOM 24 C CYS A 2 7.213 4.761 1.585 1.00 0.00 C ATOM 25 O CYS A 2 7.250 5.985 1.508 1.00 0.00 O ATOM 26 CB CYS A 2 5.986 4.003 3.689 1.00 0.00 C ATOM 27 SG CYS A 2 4.715 2.983 2.864 1.00 0.00 S ATOM 0 H CYS A 2 7.843 5.493 4.372 1.00 0.00 H new ATOM 0 HA CYS A 2 7.692 3.086 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.173 3.588 4.679 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.584 5.006 3.835 1.00 0.00 H new ATOM 0 HG CYS A 2 4.000 2.371 3.761 1.00 0.00 H new ATOM 32 N LEU A 3 7.066 3.971 0.498 1.00 0.00 N ATOM 33 CA LEU A 3 7.008 4.536 -0.827 1.00 0.00 C ATOM 34 C LEU A 3 5.666 4.339 -1.457 1.00 0.00 C ATOM 35 O LEU A 3 5.498 4.377 -2.676 1.00 0.00 O ATOM 36 CB LEU A 3 8.074 3.912 -1.727 1.00 0.00 C ATOM 37 CG LEU A 3 9.509 4.260 -1.278 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.558 3.412 -2.013 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.831 5.762 -1.409 1.00 0.00 C ATOM 0 H LEU A 3 6.988 2.955 0.532 1.00 0.00 H new ATOM 0 HA LEU A 3 7.191 5.605 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.951 2.829 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.925 4.254 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 3 9.556 4.016 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.555 3.687 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.382 2.356 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.483 3.590 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.853 5.945 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.726 6.067 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.141 6.337 -0.791 1.00 0.00 H new ATOM 51 N VAL A 4 4.676 4.143 -0.584 1.00 0.00 N ATOM 52 CA VAL A 4 3.299 3.896 -0.920 1.00 0.00 C ATOM 53 C VAL A 4 2.465 4.964 -0.314 1.00 0.00 C ATOM 54 O VAL A 4 1.797 5.707 -1.026 1.00 0.00 O ATOM 55 CB VAL A 4 2.822 2.504 -0.436 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.369 2.170 -0.810 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.839 1.433 -0.845 1.00 0.00 C ATOM 0 H VAL A 4 4.836 4.156 0.423 1.00 0.00 H new ATOM 0 HA VAL A 4 3.200 3.905 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 4 2.787 2.527 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.115 1.179 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.700 2.908 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.260 2.186 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.497 0.457 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.939 1.421 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.806 1.658 -0.394 1.00 0.00 H new ATOM 67 N CYS A 5 2.465 5.018 1.032 1.00 0.00 N ATOM 68 CA CYS A 5 1.673 5.962 1.778 1.00 0.00 C ATOM 69 C CYS A 5 2.601 6.956 2.396 1.00 0.00 C ATOM 70 O CYS A 5 2.221 7.632 3.342 1.00 0.00 O ATOM 71 CB CYS A 5 0.698 5.334 2.819 1.00 0.00 C ATOM 72 SG CYS A 5 1.404 4.410 4.242 1.00 0.00 S ATOM 0 H CYS A 5 3.024 4.397 1.617 1.00 0.00 H new ATOM 0 HA CYS A 5 0.995 6.450 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.080 6.137 3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.033 4.657 2.283 1.00 0.00 H new ATOM 0 HG CYS A 5 2.537 3.876 3.893 1.00 0.00 H new ATOM 77 N SER A 6 3.838 7.069 1.850 1.00 0.00 N ATOM 78 CA SER A 6 4.845 8.098 2.135 1.00 0.00 C ATOM 79 C SER A 6 4.956 8.560 3.574 1.00 0.00 C ATOM 80 O SER A 6 4.926 9.748 3.893 1.00 0.00 O ATOM 81 CB SER A 6 4.748 9.275 1.141 1.00 0.00 C ATOM 82 OG SER A 6 4.302 8.853 -0.144 1.00 0.00 O ATOM 0 H SER A 6 4.170 6.398 1.157 1.00 0.00 H new ATOM 0 HA SER A 6 5.793 7.584 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.063 10.026 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.724 9.752 1.048 1.00 0.00 H new ATOM 0 HG SER A 6 4.252 9.627 -0.743 1.00 0.00 H new ATOM 88 N ASP A 7 5.048 7.546 4.455 1.00 0.00 N ATOM 89 CA ASP A 7 5.003 7.643 5.896 1.00 0.00 C ATOM 90 C ASP A 7 6.271 6.996 6.351 1.00 0.00 C ATOM 91 O ASP A 7 6.809 6.178 5.621 1.00 0.00 O ATOM 92 CB ASP A 7 3.769 6.820 6.372 1.00 0.00 C ATOM 93 CG ASP A 7 3.481 6.836 7.883 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.307 7.948 8.447 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.438 5.730 8.484 1.00 0.00 O ATOM 0 H ASP A 7 5.163 6.582 4.142 1.00 0.00 H new ATOM 0 HA ASP A 7 4.917 8.660 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.887 7.194 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.908 5.785 6.061 1.00 0.00 H new ATOM 100 N GLU A 8 6.768 7.298 7.582 1.00 0.00 N ATOM 101 CA GLU A 8 7.995 6.734 8.133 1.00 0.00 C ATOM 102 C GLU A 8 7.916 5.225 8.261 1.00 0.00 C ATOM 103 O GLU A 8 7.194 4.689 9.100 1.00 0.00 O ATOM 104 CB GLU A 8 8.489 7.391 9.449 1.00 0.00 C ATOM 105 CG GLU A 8 7.878 8.782 9.735 1.00 0.00 C ATOM 106 CD GLU A 8 8.517 9.412 10.976 1.00 0.00 C ATOM 107 OE1 GLU A 8 9.730 9.743 10.919 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.795 9.575 11.997 1.00 0.00 O ATOM 0 H GLU A 8 6.307 7.952 8.215 1.00 0.00 H new ATOM 0 HA GLU A 8 8.759 6.980 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.257 6.727 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.574 7.485 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.026 9.433 8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.802 8.688 9.882 1.00 0.00 H new ATOM 115 N ALA A 9 8.666 4.533 7.365 1.00 0.00 N ATOM 116 CA ALA A 9 8.704 3.100 7.203 1.00 0.00 C ATOM 117 C ALA A 9 9.648 2.476 8.187 1.00 0.00 C ATOM 118 O ALA A 9 10.454 3.151 8.828 1.00 0.00 O ATOM 119 CB ALA A 9 9.117 2.679 5.772 1.00 0.00 C ATOM 0 H ALA A 9 9.287 5.009 6.711 1.00 0.00 H new ATOM 0 HA ALA A 9 7.690 2.744 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.130 1.591 5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.401 3.080 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.110 3.069 5.550 1.00 0.00 H new ATOM 125 N SER A 10 9.534 1.130 8.306 1.00 0.00 N ATOM 126 CA SER A 10 10.300 0.299 9.204 1.00 0.00 C ATOM 127 C SER A 10 11.494 -0.266 8.475 1.00 0.00 C ATOM 128 O SER A 10 12.547 -0.480 9.075 1.00 0.00 O ATOM 129 CB SER A 10 9.445 -0.832 9.829 1.00 0.00 C ATOM 130 OG SER A 10 8.726 -1.579 8.852 1.00 0.00 O ATOM 0 H SER A 10 8.872 0.593 7.746 1.00 0.00 H new ATOM 0 HA SER A 10 10.643 0.922 10.030 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.093 -1.505 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.742 -0.400 10.541 1.00 0.00 H new ATOM 0 HG SER A 10 8.204 -2.280 9.295 1.00 0.00 H new ATOM 136 N GLY A 11 11.343 -0.517 7.154 1.00 0.00 N ATOM 137 CA GLY A 11 12.403 -1.055 6.347 1.00 0.00 C ATOM 138 C GLY A 11 11.813 -1.296 5.001 1.00 0.00 C ATOM 139 O GLY A 11 11.160 -0.420 4.440 1.00 0.00 O ATOM 0 H GLY A 11 10.477 -0.345 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.240 -0.359 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.788 -1.980 6.775 1.00 0.00 H new ATOM 143 N CYS A 12 12.049 -2.513 4.458 1.00 0.00 N ATOM 144 CA CYS A 12 11.570 -2.965 3.171 1.00 0.00 C ATOM 145 C CYS A 12 11.058 -4.353 3.419 1.00 0.00 C ATOM 146 O CYS A 12 11.564 -5.047 4.302 1.00 0.00 O ATOM 147 CB CYS A 12 12.654 -2.966 2.049 1.00 0.00 C ATOM 148 SG CYS A 12 14.264 -3.715 2.514 1.00 0.00 S ATOM 0 H CYS A 12 12.603 -3.221 4.940 1.00 0.00 H new ATOM 0 HA CYS A 12 10.807 -2.282 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.259 -3.501 1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.828 -1.937 1.734 1.00 0.00 H new ATOM 0 HG CYS A 12 15.077 -3.659 1.502 1.00 0.00 H new ATOM 154 N HIS A 13 10.030 -4.795 2.650 1.00 0.00 N ATOM 155 CA HIS A 13 9.499 -6.124 2.834 1.00 0.00 C ATOM 156 C HIS A 13 8.695 -6.407 1.607 1.00 0.00 C ATOM 157 O HIS A 13 7.798 -5.641 1.268 1.00 0.00 O ATOM 158 CB HIS A 13 8.634 -6.307 4.103 1.00 0.00 C ATOM 159 CG HIS A 13 8.676 -7.727 4.597 1.00 0.00 C ATOM 160 ND1 HIS A 13 7.909 -8.784 4.228 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 9.657 -8.132 5.490 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 8.405 -9.873 4.904 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 9.450 -9.426 5.647 1.00 0.00 N flip ATOM 0 H HIS A 13 9.577 -4.247 1.919 1.00 0.00 H new ATOM 0 HA HIS A 13 10.326 -6.819 2.979 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.989 -5.637 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.603 -6.026 3.886 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.122 -8.773 3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.420 -7.524 5.953 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.036 -10.887 4.854 1.00 0.00 H new ATOM 171 N TYR A 14 9.026 -7.531 0.916 1.00 0.00 N ATOM 172 CA TYR A 14 8.462 -7.997 -0.333 1.00 0.00 C ATOM 173 C TYR A 14 9.428 -7.441 -1.340 1.00 0.00 C ATOM 174 O TYR A 14 10.593 -7.841 -1.324 1.00 0.00 O ATOM 175 CB TYR A 14 6.919 -7.851 -0.571 1.00 0.00 C ATOM 176 CG TYR A 14 6.146 -8.601 0.517 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.458 -9.936 0.863 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.077 -8.006 1.201 1.00 0.00 C ATOM 179 CE1 TYR A 14 5.854 -10.585 1.944 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.444 -8.660 2.264 1.00 0.00 C ATOM 181 CZ TYR A 14 4.851 -9.936 2.663 1.00 0.00 C ATOM 182 OH TYR A 14 4.245 -10.562 3.775 1.00 0.00 O ATOM 0 H TYR A 14 9.747 -8.164 1.261 1.00 0.00 H new ATOM 0 HA TYR A 14 8.395 -9.083 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.640 -6.797 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.656 -8.245 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.187 -10.472 0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.736 -7.026 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.162 -11.582 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.631 -8.173 2.782 1.00 0.00 H new ATOM 0 HH TYR A 14 3.568 -9.966 4.157 1.00 0.00 H new ATOM 192 N GLY A 15 9.011 -6.486 -2.194 1.00 0.00 N ATOM 193 CA GLY A 15 9.876 -5.911 -3.204 1.00 0.00 C ATOM 194 C GLY A 15 10.364 -4.515 -2.938 1.00 0.00 C ATOM 195 O GLY A 15 11.332 -4.103 -3.579 1.00 0.00 O ATOM 0 H GLY A 15 8.066 -6.103 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.743 -6.561 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.342 -5.913 -4.154 1.00 0.00 H new ATOM 199 N VAL A 16 9.740 -3.739 -2.007 1.00 0.00 N ATOM 200 CA VAL A 16 10.029 -2.315 -1.884 1.00 0.00 C ATOM 201 C VAL A 16 10.083 -1.926 -0.437 1.00 0.00 C ATOM 202 O VAL A 16 9.559 -2.608 0.441 1.00 0.00 O ATOM 203 CB VAL A 16 8.961 -1.432 -2.611 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.243 0.075 -2.708 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.666 -1.922 -4.031 1.00 0.00 C ATOM 0 H VAL A 16 9.045 -4.088 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 16 10.994 -2.140 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 16 8.108 -1.554 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.424 0.565 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.332 0.494 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.173 0.237 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.919 -1.275 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.581 -1.897 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.287 -2.943 -3.992 1.00 0.00 H new ATOM 215 N LEU A 17 10.657 -0.714 -0.233 1.00 0.00 N ATOM 216 CA LEU A 17 10.835 0.059 0.973 1.00 0.00 C ATOM 217 C LEU A 17 9.472 0.592 1.377 1.00 0.00 C ATOM 218 O LEU A 17 9.051 1.649 0.911 1.00 0.00 O ATOM 219 CB LEU A 17 11.849 1.195 0.709 1.00 0.00 C ATOM 220 CG LEU A 17 12.450 1.885 1.952 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.475 0.991 2.672 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.090 3.229 1.562 1.00 0.00 C ATOM 0 H LEU A 17 11.049 -0.211 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 17 11.236 -0.546 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.668 0.790 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.359 1.955 0.101 1.00 0.00 H new ATOM 0 HG LEU A 17 11.632 2.067 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.871 1.518 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.990 0.070 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.291 0.751 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.509 3.703 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.882 3.057 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.332 3.880 1.126 1.00 0.00 H new ATOM 234 N THR A 18 8.754 -0.163 2.236 1.00 0.00 N ATOM 235 CA THR A 18 7.396 0.115 2.660 1.00 0.00 C ATOM 236 C THR A 18 7.398 0.189 4.144 1.00 0.00 C ATOM 237 O THR A 18 8.366 -0.198 4.795 1.00 0.00 O ATOM 238 CB THR A 18 6.426 -1.066 2.297 1.00 0.00 C ATOM 239 OG1 THR A 18 7.090 -2.328 2.328 1.00 0.00 O ATOM 240 CG2 THR A 18 5.742 -0.887 0.945 1.00 0.00 C ATOM 0 H THR A 18 9.133 -1.010 2.659 1.00 0.00 H new ATOM 0 HA THR A 18 7.067 1.033 2.172 1.00 0.00 H new ATOM 0 HB THR A 18 5.655 -1.047 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.752 -2.367 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.086 -1.736 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.154 0.031 0.953 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.496 -0.828 0.161 1.00 0.00 H new ATOM 248 N CYS A 19 6.246 0.648 4.714 1.00 0.00 N ATOM 249 CA CYS A 19 6.068 0.792 6.148 1.00 0.00 C ATOM 250 C CYS A 19 5.802 -0.575 6.765 1.00 0.00 C ATOM 251 O CYS A 19 6.004 -1.612 6.133 1.00 0.00 O ATOM 252 CB CYS A 19 5.063 1.885 6.640 1.00 0.00 C ATOM 253 SG CYS A 19 3.311 1.748 6.142 1.00 0.00 S ATOM 0 H CYS A 19 5.427 0.923 4.171 1.00 0.00 H new ATOM 0 HA CYS A 19 7.012 1.197 6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.097 1.900 7.729 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.430 2.852 6.296 1.00 0.00 H new ATOM 0 HG CYS A 19 2.960 2.817 5.490 1.00 0.00 H new ATOM 258 N GLY A 20 5.318 -0.600 8.028 1.00 0.00 N ATOM 259 CA GLY A 20 4.996 -1.815 8.751 1.00 0.00 C ATOM 260 C GLY A 20 3.683 -2.358 8.263 1.00 0.00 C ATOM 261 O GLY A 20 3.552 -3.553 8.010 1.00 0.00 O ATOM 0 H GLY A 20 5.143 0.248 8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.783 -2.555 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.942 -1.611 9.820 1.00 0.00 H new ATOM 265 N SER A 21 2.704 -1.443 8.059 1.00 0.00 N ATOM 266 CA SER A 21 1.346 -1.733 7.644 1.00 0.00 C ATOM 267 C SER A 21 1.212 -2.117 6.188 1.00 0.00 C ATOM 268 O SER A 21 0.379 -2.964 5.884 1.00 0.00 O ATOM 269 CB SER A 21 0.385 -0.561 7.919 1.00 0.00 C ATOM 270 OG SER A 21 0.413 -0.206 9.294 1.00 0.00 O ATOM 0 H SER A 21 2.866 -0.444 8.190 1.00 0.00 H new ATOM 0 HA SER A 21 1.072 -2.595 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.666 0.298 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.629 -0.839 7.630 1.00 0.00 H new ATOM 0 HG SER A 21 0.544 0.761 9.379 1.00 0.00 H new ATOM 276 N CYS A 22 2.030 -1.523 5.258 1.00 0.00 N ATOM 277 CA CYS A 22 1.953 -1.720 3.807 1.00 0.00 C ATOM 278 C CYS A 22 2.360 -3.102 3.388 1.00 0.00 C ATOM 279 O CYS A 22 1.949 -3.587 2.336 1.00 0.00 O ATOM 280 CB CYS A 22 2.632 -0.648 2.930 1.00 0.00 C ATOM 281 SG CYS A 22 1.613 0.868 2.888 1.00 0.00 S ATOM 0 H CYS A 22 2.775 -0.880 5.527 1.00 0.00 H new ATOM 0 HA CYS A 22 0.889 -1.592 3.610 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.622 -0.419 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.772 -1.030 1.919 1.00 0.00 H new ATOM 0 HG CYS A 22 2.382 1.903 2.724 1.00 0.00 H new ATOM 286 N LYS A 23 3.118 -3.782 4.278 1.00 0.00 N ATOM 287 CA LYS A 23 3.556 -5.152 4.179 1.00 0.00 C ATOM 288 C LYS A 23 2.339 -6.053 4.267 1.00 0.00 C ATOM 289 O LYS A 23 1.957 -6.727 3.316 1.00 0.00 O ATOM 290 CB LYS A 23 4.588 -5.499 5.282 1.00 0.00 C ATOM 291 CG LYS A 23 5.131 -6.945 5.285 1.00 0.00 C ATOM 292 CD LYS A 23 6.033 -7.273 6.491 1.00 0.00 C ATOM 293 CE LYS A 23 5.294 -7.253 7.840 1.00 0.00 C ATOM 294 NZ LYS A 23 6.173 -7.676 8.928 1.00 0.00 N ATOM 0 H LYS A 23 3.451 -3.339 5.134 1.00 0.00 H new ATOM 0 HA LYS A 23 4.058 -5.303 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.433 -4.817 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.130 -5.304 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.290 -7.638 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.694 -7.113 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.476 -8.258 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.853 -6.556 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.921 -6.248 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.426 -7.911 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.649 -7.653 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.508 -8.644 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.988 -7.032 8.986 1.00 0.00 H new ATOM 308 N VAL A 24 1.689 -6.004 5.448 1.00 0.00 N ATOM 309 CA VAL A 24 0.538 -6.771 5.896 1.00 0.00 C ATOM 310 C VAL A 24 -0.687 -6.548 5.050 1.00 0.00 C ATOM 311 O VAL A 24 -1.459 -7.470 4.794 1.00 0.00 O ATOM 312 CB VAL A 24 0.215 -6.454 7.390 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.862 -7.373 8.001 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.478 -6.440 8.276 1.00 0.00 C ATOM 0 H VAL A 24 1.998 -5.358 6.174 1.00 0.00 H new ATOM 0 HA VAL A 24 0.812 -7.821 5.792 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.202 -5.447 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.033 -7.092 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.791 -7.268 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.525 -8.409 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.198 -6.215 9.305 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.961 -7.416 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.169 -5.679 7.913 1.00 0.00 H new ATOM 324 N PHE A 25 -0.835 -5.292 4.585 1.00 0.00 N ATOM 325 CA PHE A 25 -1.842 -4.749 3.706 1.00 0.00 C ATOM 326 C PHE A 25 -1.842 -5.494 2.403 1.00 0.00 C ATOM 327 O PHE A 25 -2.848 -6.067 2.005 1.00 0.00 O ATOM 328 CB PHE A 25 -1.500 -3.261 3.446 1.00 0.00 C ATOM 329 CG PHE A 25 -2.335 -2.560 2.405 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.741 -2.571 2.405 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.652 -2.022 1.303 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.447 -2.074 1.301 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.353 -1.543 0.202 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.751 -1.566 0.196 1.00 0.00 C ATOM 0 H PHE A 25 -0.169 -4.569 4.857 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.827 -4.843 4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.597 -2.718 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.454 -3.197 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.277 -2.963 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.573 -1.980 1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.527 -2.083 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.817 -1.152 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.294 -1.193 -0.660 1.00 0.00 H new ATOM 344 N PHE A 26 -0.649 -5.486 1.769 1.00 0.00 N ATOM 345 CA PHE A 26 -0.306 -6.056 0.487 1.00 0.00 C ATOM 346 C PHE A 26 -0.449 -7.560 0.485 1.00 0.00 C ATOM 347 O PHE A 26 -0.995 -8.139 -0.440 1.00 0.00 O ATOM 348 CB PHE A 26 1.106 -5.589 0.063 1.00 0.00 C ATOM 349 CG PHE A 26 1.555 -6.081 -1.289 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.943 -5.637 -2.474 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.622 -6.984 -1.375 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.423 -6.054 -3.723 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.106 -7.398 -2.614 1.00 0.00 C ATOM 354 CZ PHE A 26 2.507 -6.940 -3.790 1.00 0.00 C ATOM 0 H PHE A 26 0.159 -5.034 2.197 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.013 -5.692 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.128 -4.499 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.824 -5.923 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.096 -4.969 -2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.075 -7.364 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.960 -5.694 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.946 -8.075 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.879 -7.268 -4.749 1.00 0.00 H new ATOM 364 N LYS A 27 -0.003 -8.218 1.568 1.00 0.00 N ATOM 365 CA LYS A 27 -0.059 -9.657 1.801 1.00 0.00 C ATOM 366 C LYS A 27 -1.493 -10.158 1.902 1.00 0.00 C ATOM 367 O LYS A 27 -1.783 -11.290 1.517 1.00 0.00 O ATOM 368 CB LYS A 27 0.881 -10.097 2.960 1.00 0.00 C ATOM 369 CG LYS A 27 0.752 -11.544 3.496 1.00 0.00 C ATOM 370 CD LYS A 27 0.920 -12.693 2.482 1.00 0.00 C ATOM 371 CE LYS A 27 2.333 -13.295 2.416 1.00 0.00 C ATOM 372 NZ LYS A 27 2.684 -14.020 3.637 1.00 0.00 N ATOM 0 H LYS A 27 0.431 -7.723 2.347 1.00 0.00 H new ATOM 0 HA LYS A 27 0.344 -10.162 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.909 -9.955 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.720 -9.416 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.493 -11.679 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.229 -11.645 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.214 -13.485 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.650 -12.327 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.398 -13.971 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.058 -12.498 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.529 -14.601 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.880 -13.341 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.893 -14.635 3.915 1.00 0.00 H new ATOM 386 N ARG A 28 -2.427 -9.290 2.375 1.00 0.00 N ATOM 387 CA ARG A 28 -3.846 -9.587 2.469 1.00 0.00 C ATOM 388 C ARG A 28 -4.522 -9.286 1.152 1.00 0.00 C ATOM 389 O ARG A 28 -5.354 -10.047 0.673 1.00 0.00 O ATOM 390 CB ARG A 28 -4.557 -8.796 3.600 1.00 0.00 C ATOM 391 CG ARG A 28 -5.366 -9.693 4.558 1.00 0.00 C ATOM 392 CD ARG A 28 -4.496 -10.477 5.565 1.00 0.00 C ATOM 393 NE ARG A 28 -3.950 -9.557 6.638 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.736 -9.036 7.637 1.00 0.00 C ATOM 395 NH1 ARG A 28 -5.919 -9.615 7.998 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.320 -7.914 8.293 1.00 0.00 N ATOM 0 H ARG A 28 -2.191 -8.353 2.702 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.929 -10.647 2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.811 -8.245 4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.224 -8.059 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.074 -9.074 5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.951 -10.400 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.088 -11.268 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.672 -10.960 5.041 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.959 -9.315 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.241 -10.458 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.481 -9.205 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.436 -7.473 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.893 -7.516 9.037 1.00 0.00 H new ATOM 410 N ALA A 29 -4.118 -8.157 0.538 1.00 0.00 N ATOM 411 CA ALA A 29 -4.630 -7.548 -0.675 1.00 0.00 C ATOM 412 C ALA A 29 -4.295 -8.297 -1.938 1.00 0.00 C ATOM 413 O ALA A 29 -4.872 -8.036 -2.993 1.00 0.00 O ATOM 414 CB ALA A 29 -4.073 -6.128 -0.829 1.00 0.00 C ATOM 0 H ALA A 29 -3.352 -7.607 0.927 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.713 -7.559 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.464 -5.681 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.373 -5.525 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.985 -6.168 -0.881 1.00 0.00 H new ATOM 420 N VAL A 30 -3.331 -9.237 -1.838 1.00 0.00 N ATOM 421 CA VAL A 30 -2.824 -10.031 -2.927 1.00 0.00 C ATOM 422 C VAL A 30 -3.333 -11.435 -2.730 1.00 0.00 C ATOM 423 O VAL A 30 -4.255 -11.873 -3.418 1.00 0.00 O ATOM 424 CB VAL A 30 -1.266 -9.977 -3.029 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.698 -10.925 -4.099 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.723 -8.557 -3.285 1.00 0.00 C ATOM 0 H VAL A 30 -2.880 -9.456 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.179 -9.631 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.926 -10.310 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.389 -10.840 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.978 -11.951 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.102 -10.656 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.365 -8.589 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.127 -8.176 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.022 -7.900 -2.468 1.00 0.00 H new ATOM 436 N GLU A 31 -2.702 -12.164 -1.781 1.00 0.00 N ATOM 437 CA GLU A 31 -2.951 -13.561 -1.483 1.00 0.00 C ATOM 438 C GLU A 31 -3.872 -13.663 -0.301 1.00 0.00 C ATOM 439 O GLU A 31 -3.573 -14.307 0.705 1.00 0.00 O ATOM 440 CB GLU A 31 -1.659 -14.377 -1.225 1.00 0.00 C ATOM 441 CG GLU A 31 -0.706 -14.406 -2.441 1.00 0.00 C ATOM 442 CD GLU A 31 0.406 -15.445 -2.258 1.00 0.00 C ATOM 443 OE1 GLU A 31 1.198 -15.313 -1.287 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.478 -16.385 -3.094 1.00 0.00 O ATOM 0 H GLU A 31 -1.978 -11.762 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.415 -13.997 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.134 -13.953 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.929 -15.399 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.273 -14.633 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.264 -13.420 -2.582 1.00 0.00 H new ATOM 451 N GLY A 32 -5.053 -13.030 -0.437 1.00 0.00 N ATOM 452 CA GLY A 32 -6.061 -13.082 0.596 1.00 0.00 C ATOM 453 C GLY A 32 -7.322 -12.467 0.094 1.00 0.00 C ATOM 454 O GLY A 32 -7.664 -12.591 -1.081 1.00 0.00 O ATOM 0 H GLY A 32 -5.316 -12.482 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.241 -14.116 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.714 -12.553 1.484 1.00 0.00 H new ATOM 458 N GLN A 33 -8.041 -11.777 1.017 1.00 0.00 N ATOM 459 CA GLN A 33 -9.269 -11.058 0.762 1.00 0.00 C ATOM 460 C GLN A 33 -8.861 -9.614 0.772 1.00 0.00 C ATOM 461 O GLN A 33 -8.072 -9.193 1.619 1.00 0.00 O ATOM 462 CB GLN A 33 -10.398 -11.359 1.782 1.00 0.00 C ATOM 463 CG GLN A 33 -10.091 -11.113 3.284 1.00 0.00 C ATOM 464 CD GLN A 33 -10.893 -9.927 3.852 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.027 -10.110 4.310 1.00 0.00 O ATOM 466 NE2 GLN A 33 -10.287 -8.702 3.814 1.00 0.00 N ATOM 0 H GLN A 33 -7.750 -11.718 1.993 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.713 -11.363 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.265 -10.755 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.688 -12.403 1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.323 -12.013 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.025 -10.923 3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.349 -8.609 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.773 -7.881 4.175 1.00 0.00 H new ATOM 475 N HIS A 34 -9.382 -8.832 -0.204 1.00 0.00 N ATOM 476 CA HIS A 34 -9.011 -7.450 -0.414 1.00 0.00 C ATOM 477 C HIS A 34 -10.198 -6.604 0.004 1.00 0.00 C ATOM 478 O HIS A 34 -10.516 -6.566 1.192 1.00 0.00 O ATOM 479 CB HIS A 34 -8.469 -7.197 -1.853 1.00 0.00 C ATOM 480 CG HIS A 34 -8.040 -8.436 -2.620 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.339 -9.542 -2.232 1.00 0.00 N flip ATOM 482 CD2 HIS A 34 -8.333 -8.514 -3.973 1.00 0.00 C flip ATOM 483 CE1 HIS A 34 -7.207 -10.325 -3.355 1.00 0.00 C flip ATOM 484 NE2 HIS A 34 -7.819 -9.662 -4.367 1.00 0.00 N flip ATOM 0 H HIS A 34 -10.081 -9.168 -0.867 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.161 -7.161 0.204 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.241 -6.685 -2.428 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.618 -6.519 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.866 -7.792 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.712 -11.283 -3.418 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.875 -10.012 -5.324 1.00 0.00 H new ATOM 492 N ASN A 35 -10.874 -5.907 -0.951 1.00 0.00 N ATOM 493 CA ASN A 35 -12.041 -5.057 -0.781 1.00 0.00 C ATOM 494 C ASN A 35 -11.606 -3.692 -0.287 1.00 0.00 C ATOM 495 O ASN A 35 -11.370 -3.497 0.906 1.00 0.00 O ATOM 496 CB ASN A 35 -13.201 -5.665 0.073 1.00 0.00 C ATOM 497 CG ASN A 35 -14.556 -4.964 -0.167 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.166 -5.138 -1.229 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.009 -4.157 0.840 1.00 0.00 N ATOM 0 H ASN A 35 -10.578 -5.941 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.495 -4.962 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.300 -6.725 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.943 -5.594 1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.894 -3.660 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.462 -4.052 1.695 1.00 0.00 H new ATOM 506 N TYR A 36 -11.513 -2.711 -1.218 1.00 0.00 N ATOM 507 CA TYR A 36 -11.123 -1.353 -0.926 1.00 0.00 C ATOM 508 C TYR A 36 -11.978 -0.518 -1.862 1.00 0.00 C ATOM 509 O TYR A 36 -12.680 -1.081 -2.702 1.00 0.00 O ATOM 510 CB TYR A 36 -9.600 -1.106 -1.078 1.00 0.00 C ATOM 511 CG TYR A 36 -8.857 -2.131 -1.917 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.127 -2.291 -3.291 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.867 -2.944 -1.330 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.468 -3.272 -4.041 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.190 -3.908 -2.083 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.505 -4.090 -3.435 1.00 0.00 C ATOM 517 OH TYR A 36 -6.873 -5.111 -4.179 1.00 0.00 O ATOM 0 H TYR A 36 -11.716 -2.868 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.292 -1.089 0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.451 -0.121 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.152 -1.080 -0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.851 -1.649 -3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.628 -2.821 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.702 -3.399 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.423 -4.513 -1.621 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.107 -4.737 -4.662 1.00 0.00 H new ATOM 597 N ASN A 42 -10.121 6.554 -8.813 1.00 0.00 N ATOM 598 CA ASN A 42 -8.732 6.929 -8.637 1.00 0.00 C ATOM 599 C ASN A 42 -8.719 8.443 -8.554 1.00 0.00 C ATOM 600 O ASN A 42 -8.338 9.137 -9.498 1.00 0.00 O ATOM 601 CB ASN A 42 -7.760 6.298 -9.683 1.00 0.00 C ATOM 602 CG ASN A 42 -6.266 6.578 -9.414 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.719 7.604 -9.830 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.612 5.614 -8.698 1.00 0.00 N ATOM 0 HA ASN A 42 -8.324 6.510 -7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.917 5.220 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.016 6.676 -10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.621 5.723 -8.482 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.115 4.786 -8.379 1.00 0.00 H new ATOM 611 N ASP A 43 -9.199 8.959 -7.402 1.00 0.00 N ATOM 612 CA ASP A 43 -9.286 10.378 -7.114 1.00 0.00 C ATOM 613 C ASP A 43 -8.289 10.754 -6.071 1.00 0.00 C ATOM 614 O ASP A 43 -7.407 11.575 -6.319 1.00 0.00 O ATOM 615 CB ASP A 43 -10.678 10.885 -6.604 1.00 0.00 C ATOM 616 CG ASP A 43 -11.513 9.942 -5.709 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.892 8.838 -6.175 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.797 10.342 -4.548 1.00 0.00 O ATOM 0 H ASP A 43 -9.540 8.374 -6.639 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.099 10.848 -8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.514 11.810 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.281 11.137 -7.476 1.00 0.00 H new ATOM 623 N CYS A 44 -8.442 10.158 -4.866 1.00 0.00 N ATOM 624 CA CYS A 44 -7.732 10.446 -3.663 1.00 0.00 C ATOM 625 C CYS A 44 -6.234 10.222 -3.773 1.00 0.00 C ATOM 626 O CYS A 44 -5.764 9.386 -4.543 1.00 0.00 O ATOM 627 CB CYS A 44 -8.301 9.657 -2.428 1.00 0.00 C ATOM 628 SG CYS A 44 -9.494 8.308 -2.782 1.00 0.00 S ATOM 0 H CYS A 44 -9.124 9.411 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.891 11.512 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.460 9.231 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.785 10.372 -1.763 1.00 0.00 H new ATOM 0 HG CYS A 44 -8.970 7.166 -2.448 1.00 0.00 H new ATOM 633 N ILE A 45 -5.457 10.994 -2.973 1.00 0.00 N ATOM 634 CA ILE A 45 -4.012 10.899 -2.865 1.00 0.00 C ATOM 635 C ILE A 45 -3.835 10.018 -1.664 1.00 0.00 C ATOM 636 O ILE A 45 -4.672 10.041 -0.767 1.00 0.00 O ATOM 637 CB ILE A 45 -3.311 12.279 -2.646 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.651 13.279 -3.782 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.780 12.192 -2.412 1.00 0.00 C ATOM 640 CD1 ILE A 45 -3.204 12.847 -5.188 1.00 0.00 C ATOM 0 H ILE A 45 -5.850 11.719 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.559 10.518 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.724 12.660 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.729 13.438 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.189 14.239 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.376 13.194 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.581 11.591 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.305 11.729 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.487 13.612 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.122 12.717 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.686 11.905 -5.449 1.00 0.00 H new ATOM 652 N ILE A 46 -2.752 9.209 -1.635 1.00 0.00 N ATOM 653 CA ILE A 46 -2.454 8.315 -0.545 1.00 0.00 C ATOM 654 C ILE A 46 -1.088 8.726 -0.104 1.00 0.00 C ATOM 655 O ILE A 46 -0.102 8.615 -0.832 1.00 0.00 O ATOM 656 CB ILE A 46 -2.627 6.807 -0.931 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.890 6.181 -0.296 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.442 5.844 -0.703 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.181 6.974 -0.460 1.00 0.00 C ATOM 0 H ILE A 46 -2.065 9.175 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.155 8.394 0.286 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.709 6.896 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.037 5.191 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.706 6.040 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.723 4.840 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.583 6.181 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.183 5.830 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.999 6.441 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.066 7.956 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.402 7.093 -1.521 1.00 0.00 H new ATOM 671 N ASP A 47 -1.044 9.236 1.141 1.00 0.00 N ATOM 672 CA ASP A 47 0.157 9.623 1.815 1.00 0.00 C ATOM 673 C ASP A 47 -0.187 9.385 3.262 1.00 0.00 C ATOM 674 O ASP A 47 -1.229 8.813 3.561 1.00 0.00 O ATOM 675 CB ASP A 47 0.752 11.018 1.480 1.00 0.00 C ATOM 676 CG ASP A 47 -0.141 12.218 1.837 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.230 12.362 1.220 1.00 0.00 O ATOM 678 OD2 ASP A 47 0.262 12.999 2.740 1.00 0.00 O ATOM 0 H ASP A 47 -1.883 9.385 1.702 1.00 0.00 H new ATOM 0 HA ASP A 47 1.011 9.038 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.702 11.125 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.971 11.054 0.413 1.00 0.00 H new ATOM 683 N LYS A 48 0.686 9.834 4.195 1.00 0.00 N ATOM 684 CA LYS A 48 0.627 9.592 5.627 1.00 0.00 C ATOM 685 C LYS A 48 -0.539 10.213 6.359 1.00 0.00 C ATOM 686 O LYS A 48 -0.802 9.878 7.514 1.00 0.00 O ATOM 687 CB LYS A 48 1.945 9.996 6.325 1.00 0.00 C ATOM 688 CG LYS A 48 2.558 11.330 5.863 1.00 0.00 C ATOM 689 CD LYS A 48 3.803 11.736 6.677 1.00 0.00 C ATOM 690 CE LYS A 48 4.480 13.037 6.205 1.00 0.00 C ATOM 691 NZ LYS A 48 5.074 12.901 4.874 1.00 0.00 N ATOM 0 H LYS A 48 1.490 10.406 3.937 1.00 0.00 H new ATOM 0 HA LYS A 48 0.471 8.515 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.765 10.052 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.678 9.205 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.829 11.254 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.807 12.116 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.517 11.849 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.531 10.926 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.746 13.843 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.253 13.322 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.071 13.197 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.017 11.909 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.557 13.501 4.200 1.00 0.00 H new ATOM 705 N ILE A 49 -1.262 11.124 5.679 1.00 0.00 N ATOM 706 CA ILE A 49 -2.388 11.856 6.201 1.00 0.00 C ATOM 707 C ILE A 49 -3.659 11.250 5.670 1.00 0.00 C ATOM 708 O ILE A 49 -4.567 10.910 6.428 1.00 0.00 O ATOM 709 CB ILE A 49 -2.281 13.365 5.832 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.013 14.031 6.425 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.557 14.166 6.156 1.00 0.00 C ATOM 712 CD1 ILE A 49 -0.919 14.017 7.960 1.00 0.00 C ATOM 0 H ILE A 49 -1.052 11.366 4.711 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.394 11.789 7.289 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.178 13.391 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.135 13.528 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.973 15.066 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.413 15.209 5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.398 13.752 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.764 14.104 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.003 14.506 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.772 14.548 8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.921 12.987 8.315 1.00 0.00 H new ATOM 724 N ARG A 50 -3.725 11.130 4.327 1.00 0.00 N ATOM 725 CA ARG A 50 -4.850 10.661 3.536 1.00 0.00 C ATOM 726 C ARG A 50 -5.103 9.181 3.697 1.00 0.00 C ATOM 727 O ARG A 50 -6.172 8.690 3.339 1.00 0.00 O ATOM 728 CB ARG A 50 -4.648 10.941 2.036 1.00 0.00 C ATOM 729 CG ARG A 50 -4.733 12.424 1.615 1.00 0.00 C ATOM 730 CD ARG A 50 -6.179 12.990 1.626 1.00 0.00 C ATOM 731 NE ARG A 50 -6.615 13.615 2.934 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.009 14.693 3.530 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.806 15.188 3.123 1.00 0.00 N ATOM 734 NH2 ARG A 50 -6.661 15.318 4.559 1.00 0.00 N ATOM 0 H ARG A 50 -2.930 11.380 3.739 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.710 11.215 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.673 10.554 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.396 10.380 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.113 13.020 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.316 12.534 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.266 13.738 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.870 12.184 1.378 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.419 13.204 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.314 14.754 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.398 15.992 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.574 14.980 4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.234 16.121 5.020 1.00 0.00 H new ATOM 748 N ARG A 51 -4.116 8.479 4.304 1.00 0.00 N ATOM 749 CA ARG A 51 -4.070 7.064 4.633 1.00 0.00 C ATOM 750 C ARG A 51 -5.040 6.821 5.779 1.00 0.00 C ATOM 751 O ARG A 51 -4.642 6.821 6.942 1.00 0.00 O ATOM 752 CB ARG A 51 -2.614 6.620 4.959 1.00 0.00 C ATOM 753 CG ARG A 51 -2.361 5.295 5.723 1.00 0.00 C ATOM 754 CD ARG A 51 -1.697 5.542 7.098 1.00 0.00 C ATOM 755 NE ARG A 51 -1.901 4.380 8.037 1.00 0.00 N ATOM 756 CZ ARG A 51 -1.222 3.193 7.950 1.00 0.00 C ATOM 757 NH1 ARG A 51 -0.046 3.078 7.269 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.722 2.102 8.604 1.00 0.00 N ATOM 0 H ARG A 51 -3.259 8.948 4.596 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.377 6.454 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.075 6.557 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.152 7.421 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.306 4.771 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.724 4.646 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.630 5.714 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.111 6.446 7.544 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.588 4.484 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.355 3.892 6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.432 2.178 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.584 2.181 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.233 1.208 8.553 1.00 0.00 H new ATOM 772 N LYS A 52 -6.344 6.633 5.452 1.00 0.00 N ATOM 773 CA LYS A 52 -7.426 6.423 6.395 1.00 0.00 C ATOM 774 C LYS A 52 -8.723 6.514 5.640 1.00 0.00 C ATOM 775 O LYS A 52 -9.743 5.975 6.069 1.00 0.00 O ATOM 776 CB LYS A 52 -7.506 7.414 7.599 1.00 0.00 C ATOM 777 CG LYS A 52 -7.537 8.917 7.233 1.00 0.00 C ATOM 778 CD LYS A 52 -7.419 9.851 8.453 1.00 0.00 C ATOM 779 CE LYS A 52 -7.595 11.346 8.129 1.00 0.00 C ATOM 780 NZ LYS A 52 -8.959 11.658 7.701 1.00 0.00 N ATOM 0 H LYS A 52 -6.662 6.627 4.483 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.231 5.446 6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.400 7.182 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.650 7.235 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.722 9.131 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.466 9.135 6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.167 9.561 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.442 9.704 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.347 11.939 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.895 11.632 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.066 12.688 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.147 11.205 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.634 11.302 8.407 1.00 0.00 H new ATOM 794 N ASN A 53 -8.697 7.236 4.495 1.00 0.00 N ATOM 795 CA ASN A 53 -9.832 7.550 3.659 1.00 0.00 C ATOM 796 C ASN A 53 -10.018 6.509 2.594 1.00 0.00 C ATOM 797 O ASN A 53 -11.138 6.298 2.130 1.00 0.00 O ATOM 798 CB ASN A 53 -9.728 8.937 2.955 1.00 0.00 C ATOM 799 CG ASN A 53 -9.603 10.061 4.003 1.00 0.00 C ATOM 800 OD1 ASN A 53 -10.473 10.207 4.870 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.497 10.858 3.918 1.00 0.00 N ATOM 0 H ASN A 53 -7.828 7.626 4.129 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.683 7.575 4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.864 8.952 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.609 9.105 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.361 11.614 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.807 10.697 3.184 1.00 0.00 H new ATOM 808 N CYS A 54 -8.917 5.836 2.175 1.00 0.00 N ATOM 809 CA CYS A 54 -8.975 4.893 1.087 1.00 0.00 C ATOM 810 C CYS A 54 -7.763 3.977 1.206 1.00 0.00 C ATOM 811 O CYS A 54 -6.635 4.469 1.221 1.00 0.00 O ATOM 812 CB CYS A 54 -8.993 5.668 -0.258 1.00 0.00 C ATOM 813 SG CYS A 54 -9.003 4.722 -1.795 1.00 0.00 S ATOM 0 H CYS A 54 -7.991 5.945 2.589 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.880 4.286 1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.873 6.311 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.121 6.321 -0.276 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.202 5.280 -2.653 1.00 0.00 H new ATOM 818 N PRO A 55 -7.969 2.639 1.226 1.00 0.00 N ATOM 819 CA PRO A 55 -6.915 1.645 1.081 1.00 0.00 C ATOM 820 C PRO A 55 -6.974 0.994 -0.304 1.00 0.00 C ATOM 821 O PRO A 55 -6.563 -0.157 -0.430 1.00 0.00 O ATOM 822 CB PRO A 55 -7.241 0.671 2.206 1.00 0.00 C ATOM 823 CG PRO A 55 -8.776 0.673 2.295 1.00 0.00 C ATOM 824 CD PRO A 55 -9.196 2.052 1.769 1.00 0.00 C ATOM 0 HA PRO A 55 -5.902 2.041 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.859 -0.326 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.790 0.988 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.208 -0.128 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.113 0.521 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.965 1.964 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.610 2.669 2.566 1.00 0.00 H new ATOM 832 N ALA A 56 -7.454 1.669 -1.389 1.00 0.00 N ATOM 833 CA ALA A 56 -7.562 1.154 -2.745 1.00 0.00 C ATOM 834 C ALA A 56 -6.430 1.744 -3.528 1.00 0.00 C ATOM 835 O ALA A 56 -5.711 1.029 -4.219 1.00 0.00 O ATOM 836 CB ALA A 56 -8.866 1.511 -3.462 1.00 0.00 C ATOM 0 H ALA A 56 -7.786 2.631 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.538 0.066 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.858 1.085 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.711 1.107 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.960 2.595 -3.528 1.00 0.00 H new ATOM 842 N CYS A 57 -6.231 3.083 -3.378 1.00 0.00 N ATOM 843 CA CYS A 57 -5.158 3.894 -3.910 1.00 0.00 C ATOM 844 C CYS A 57 -3.805 3.432 -3.443 1.00 0.00 C ATOM 845 O CYS A 57 -2.841 3.442 -4.199 1.00 0.00 O ATOM 846 CB CYS A 57 -5.339 5.378 -3.551 1.00 0.00 C ATOM 847 SG CYS A 57 -6.716 6.190 -4.439 1.00 0.00 S ATOM 0 H CYS A 57 -6.884 3.646 -2.833 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.206 3.778 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.510 5.464 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.414 5.911 -3.770 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.461 7.458 -4.568 1.00 0.00 H new ATOM 852 N ARG A 58 -3.753 2.939 -2.187 1.00 0.00 N ATOM 853 CA ARG A 58 -2.621 2.323 -1.529 1.00 0.00 C ATOM 854 C ARG A 58 -2.171 1.064 -2.231 1.00 0.00 C ATOM 855 O ARG A 58 -0.982 0.757 -2.239 1.00 0.00 O ATOM 856 CB ARG A 58 -2.866 1.933 -0.052 1.00 0.00 C ATOM 857 CG ARG A 58 -3.090 3.133 0.887 1.00 0.00 C ATOM 858 CD ARG A 58 -2.280 3.102 2.197 1.00 0.00 C ATOM 859 NE ARG A 58 -2.579 1.862 2.981 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.754 1.662 3.659 1.00 0.00 C ATOM 861 NH1 ARG A 58 -4.562 2.702 4.022 1.00 0.00 N ATOM 862 NH2 ARG A 58 -4.118 0.387 3.987 1.00 0.00 N ATOM 0 H ARG A 58 -4.570 2.972 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.861 3.103 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.735 1.278 -0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.012 1.359 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.843 4.047 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.150 3.186 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.215 3.146 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.516 3.982 2.796 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.872 1.128 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.297 3.659 3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.430 2.521 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.519 -0.397 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.989 0.219 4.491 1.00 0.00 H new ATOM 876 N TYR A 59 -3.127 0.309 -2.847 1.00 0.00 N ATOM 877 CA TYR A 59 -2.873 -0.939 -3.546 1.00 0.00 C ATOM 878 C TYR A 59 -2.276 -0.598 -4.897 1.00 0.00 C ATOM 879 O TYR A 59 -1.396 -1.300 -5.389 1.00 0.00 O ATOM 880 CB TYR A 59 -4.146 -1.810 -3.700 1.00 0.00 C ATOM 881 CG TYR A 59 -3.865 -3.176 -4.307 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.079 -4.130 -3.626 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.381 -3.511 -5.573 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.827 -5.389 -4.192 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.140 -4.770 -6.134 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.365 -5.710 -5.443 1.00 0.00 C ATOM 887 OH TYR A 59 -3.124 -6.981 -6.010 1.00 0.00 O ATOM 0 H TYR A 59 -4.111 0.578 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.179 -1.541 -2.959 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.609 -1.942 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.866 -1.283 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.667 -3.888 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.970 -2.788 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.219 -6.108 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.552 -5.017 -7.101 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.570 -7.041 -6.880 1.00 0.00 H new ATOM 897 N ARG A 60 -2.704 0.552 -5.481 1.00 0.00 N ATOM 898 CA ARG A 60 -2.225 1.090 -6.739 1.00 0.00 C ATOM 899 C ARG A 60 -0.801 1.572 -6.599 1.00 0.00 C ATOM 900 O ARG A 60 0.034 1.334 -7.465 1.00 0.00 O ATOM 901 CB ARG A 60 -3.098 2.239 -7.303 1.00 0.00 C ATOM 902 CG ARG A 60 -4.590 1.902 -7.530 1.00 0.00 C ATOM 903 CD ARG A 60 -4.901 1.131 -8.827 1.00 0.00 C ATOM 904 NE ARG A 60 -4.392 -0.284 -8.722 1.00 0.00 N ATOM 905 CZ ARG A 60 -4.339 -1.122 -9.805 1.00 0.00 C ATOM 906 NH1 ARG A 60 -4.353 -0.647 -11.086 1.00 0.00 N ATOM 907 NH2 ARG A 60 -4.251 -2.469 -9.594 1.00 0.00 N ATOM 0 H ARG A 60 -3.422 1.138 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.284 0.267 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.036 3.086 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.670 2.563 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.946 1.315 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.159 2.832 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.976 1.127 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.436 1.631 -9.677 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.077 -0.629 -7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.404 0.357 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.312 -1.297 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.226 -2.836 -8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.211 -3.108 -10.388 1.00 0.00 H new ATOM 921 N LYS A 61 -0.518 2.238 -5.449 1.00 0.00 N ATOM 922 CA LYS A 61 0.726 2.898 -5.099 1.00 0.00 C ATOM 923 C LYS A 61 1.855 1.943 -4.866 1.00 0.00 C ATOM 924 O LYS A 61 2.961 2.166 -5.350 1.00 0.00 O ATOM 925 CB LYS A 61 0.593 3.865 -3.894 1.00 0.00 C ATOM 926 CG LYS A 61 0.578 5.365 -4.251 1.00 0.00 C ATOM 927 CD LYS A 61 -0.793 5.968 -4.617 1.00 0.00 C ATOM 928 CE LYS A 61 -1.281 5.651 -6.039 1.00 0.00 C ATOM 929 NZ LYS A 61 -2.614 6.205 -6.266 1.00 0.00 N ATOM 0 H LYS A 61 -1.212 2.322 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 61 0.966 3.495 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.326 3.627 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.420 3.680 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.981 5.922 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.256 5.524 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.535 5.606 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.740 7.050 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.583 6.062 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.300 4.572 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.903 6.023 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.292 5.756 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.598 7.231 -6.094 1.00 0.00 H new ATOM 943 N CYS A 62 1.570 0.838 -4.140 1.00 0.00 N ATOM 944 CA CYS A 62 2.510 -0.208 -3.782 1.00 0.00 C ATOM 945 C CYS A 62 2.994 -0.959 -4.999 1.00 0.00 C ATOM 946 O CYS A 62 4.184 -1.233 -5.125 1.00 0.00 O ATOM 947 CB CYS A 62 2.040 -1.125 -2.619 1.00 0.00 C ATOM 948 SG CYS A 62 0.573 -2.155 -2.933 1.00 0.00 S ATOM 0 H CYS A 62 0.633 0.659 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 62 3.379 0.298 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.866 -1.783 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.836 -0.497 -1.752 1.00 0.00 H new ATOM 0 HG CYS A 62 0.889 -3.410 -2.807 1.00 0.00 H new ATOM 954 N LEU A 63 2.069 -1.215 -5.963 1.00 0.00 N ATOM 955 CA LEU A 63 2.316 -1.878 -7.229 1.00 0.00 C ATOM 956 C LEU A 63 3.169 -1.006 -8.127 1.00 0.00 C ATOM 957 O LEU A 63 4.076 -1.505 -8.792 1.00 0.00 O ATOM 958 CB LEU A 63 1.018 -2.265 -7.973 1.00 0.00 C ATOM 959 CG LEU A 63 0.214 -3.407 -7.308 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.192 -3.521 -7.926 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.956 -4.757 -7.359 1.00 0.00 C ATOM 0 H LEU A 63 1.092 -0.944 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 63 2.844 -2.802 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.380 -1.384 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.272 -2.561 -8.991 1.00 0.00 H new ATOM 0 HG LEU A 63 0.106 -3.149 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.738 -4.331 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.730 -2.584 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.105 -3.729 -8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.349 -5.524 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.136 -5.034 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.908 -4.669 -6.836 1.00 0.00 H new ATOM 973 N GLN A 64 2.916 0.338 -8.103 1.00 0.00 N ATOM 974 CA GLN A 64 3.621 1.365 -8.855 1.00 0.00 C ATOM 975 C GLN A 64 5.045 1.502 -8.378 1.00 0.00 C ATOM 976 O GLN A 64 5.960 1.735 -9.166 1.00 0.00 O ATOM 977 CB GLN A 64 2.915 2.742 -8.826 1.00 0.00 C ATOM 978 CG GLN A 64 1.690 2.807 -9.765 1.00 0.00 C ATOM 979 CD GLN A 64 0.881 4.095 -9.545 1.00 0.00 C ATOM 980 OE1 GLN A 64 -0.206 4.061 -8.956 1.00 0.00 O ATOM 981 NE2 GLN A 64 1.430 5.246 -10.040 1.00 0.00 N ATOM 0 H GLN A 64 2.174 0.729 -7.523 1.00 0.00 H new ATOM 0 HA GLN A 64 3.617 1.030 -9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.597 2.961 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.627 3.516 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.022 2.757 -10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.051 1.941 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.331 5.217 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.939 6.133 -9.931 1.00 0.00 H new ATOM 990 N ALA A 65 5.233 1.285 -7.051 1.00 0.00 N ATOM 991 CA ALA A 65 6.482 1.330 -6.316 1.00 0.00 C ATOM 992 C ALA A 65 7.390 0.201 -6.742 1.00 0.00 C ATOM 993 O ALA A 65 8.607 0.360 -6.839 1.00 0.00 O ATOM 994 CB ALA A 65 6.274 1.341 -4.793 1.00 0.00 C ATOM 0 H ALA A 65 4.447 1.059 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 65 6.966 2.275 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.242 1.375 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.690 2.217 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.742 0.438 -4.492 1.00 0.00 H new ATOM 1000 N GLY A 66 6.761 -0.967 -7.014 1.00 0.00 N ATOM 1001 CA GLY A 66 7.387 -2.159 -7.539 1.00 0.00 C ATOM 1002 C GLY A 66 7.308 -3.301 -6.576 1.00 0.00 C ATOM 1003 O GLY A 66 8.122 -4.220 -6.660 1.00 0.00 O ATOM 0 H GLY A 66 5.760 -1.088 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.905 -2.440 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.432 -1.949 -7.769 1.00 0.00 H new ATOM 1007 N MET A 67 6.303 -3.294 -5.648 1.00 0.00 N ATOM 1008 CA MET A 67 6.105 -4.302 -4.607 1.00 0.00 C ATOM 1009 C MET A 67 5.729 -5.615 -5.240 1.00 0.00 C ATOM 1010 O MET A 67 5.054 -5.632 -6.271 1.00 0.00 O ATOM 1011 CB MET A 67 5.040 -3.924 -3.552 1.00 0.00 C ATOM 1012 CG MET A 67 5.546 -2.919 -2.495 1.00 0.00 C ATOM 1013 SD MET A 67 6.467 -3.742 -1.149 1.00 0.00 S ATOM 1014 CE MET A 67 5.127 -4.596 -0.263 1.00 0.00 C ATOM 0 H MET A 67 5.598 -2.557 -5.620 1.00 0.00 H new ATOM 0 HA MET A 67 7.054 -4.375 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.173 -3.500 -4.059 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.703 -4.830 -3.048 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.189 -2.181 -2.975 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.698 -2.378 -2.075 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.455 -4.836 0.749 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.251 -3.949 -0.217 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.871 -5.516 -0.789 1.00 0.00 H new ATOM 1024 N ASN A 68 6.189 -6.746 -4.653 1.00 0.00 N ATOM 1025 CA ASN A 68 5.918 -8.033 -5.251 1.00 0.00 C ATOM 1026 C ASN A 68 6.202 -8.990 -4.157 1.00 0.00 C ATOM 1027 O ASN A 68 7.246 -8.933 -3.517 1.00 0.00 O ATOM 1028 CB ASN A 68 6.786 -8.374 -6.510 1.00 0.00 C ATOM 1029 CG ASN A 68 6.189 -9.366 -7.541 1.00 0.00 C ATOM 1030 OD1 ASN A 68 4.879 -9.733 -7.421 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 6.926 -9.789 -8.441 1.00 0.00 N flip ATOM 0 H ASN A 68 6.733 -6.774 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 68 4.897 -8.062 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.007 -7.441 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.737 -8.780 -6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.899 -9.485 -8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.561 -10.441 -9.135 1.00 0.00 H new ATOM 1038 N LEU A 69 5.260 -9.926 -3.941 1.00 0.00 N ATOM 1039 CA LEU A 69 5.261 -10.900 -2.873 1.00 0.00 C ATOM 1040 C LEU A 69 5.902 -12.188 -3.375 1.00 0.00 C ATOM 1041 O LEU A 69 5.656 -13.292 -2.895 1.00 0.00 O ATOM 1042 CB LEU A 69 3.825 -10.946 -2.276 1.00 0.00 C ATOM 1043 CG LEU A 69 3.339 -12.172 -1.473 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.215 -12.454 -0.246 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.862 -11.994 -1.073 1.00 0.00 C ATOM 0 H LEU A 69 4.443 -10.014 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 69 5.889 -10.649 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.721 -10.077 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.130 -10.810 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 69 3.427 -13.044 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.830 -13.326 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.239 -12.647 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.200 -11.590 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.531 -12.865 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.757 -11.100 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.252 -11.891 -1.970 1.00 0.00 H new ATOM 1057 N GLU A 70 6.808 -11.999 -4.357 1.00 0.00 N ATOM 1058 CA GLU A 70 7.684 -12.932 -5.013 1.00 0.00 C ATOM 1059 C GLU A 70 8.605 -11.995 -5.752 1.00 0.00 C ATOM 1060 O GLU A 70 8.676 -11.979 -6.981 1.00 0.00 O ATOM 1061 CB GLU A 70 7.056 -13.945 -6.003 1.00 0.00 C ATOM 1062 CG GLU A 70 6.049 -14.938 -5.383 1.00 0.00 C ATOM 1063 CD GLU A 70 5.664 -16.029 -6.388 1.00 0.00 C ATOM 1064 OE1 GLU A 70 5.056 -15.685 -7.437 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.971 -17.220 -6.115 1.00 0.00 O ATOM 0 H GLU A 70 6.941 -11.063 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 70 8.125 -13.605 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.553 -13.390 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.859 -14.513 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.484 -15.395 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.155 -14.403 -5.062 1.00 0.00 H new ATOM 1072 N ALA A 71 9.328 -11.169 -4.963 1.00 0.00 N ATOM 1073 CA ALA A 71 10.231 -10.128 -5.413 1.00 0.00 C ATOM 1074 C ALA A 71 11.655 -10.625 -5.309 1.00 0.00 C ATOM 1075 O ALA A 71 11.904 -11.822 -5.168 1.00 0.00 O ATOM 1076 CB ALA A 71 10.044 -8.833 -4.594 1.00 0.00 C ATOM 0 H ALA A 71 9.283 -11.227 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 71 10.005 -9.890 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.735 -8.071 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.020 -8.476 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.245 -9.036 -3.542 1.00 0.00 H new ATOM 1082 N ARG A 72 12.626 -9.678 -5.394 1.00 0.00 N ATOM 1083 CA ARG A 72 14.055 -9.888 -5.362 1.00 0.00 C ATOM 1084 C ARG A 72 14.519 -10.017 -3.893 1.00 0.00 C ATOM 1085 O ARG A 72 14.260 -9.073 -3.099 1.00 0.00 O ATOM 1086 CB ARG A 72 14.777 -8.703 -6.053 1.00 0.00 C ATOM 1087 CG ARG A 72 16.280 -8.888 -6.347 1.00 0.00 C ATOM 1088 CD ARG A 72 16.572 -9.954 -7.416 1.00 0.00 C ATOM 1089 NE ARG A 72 18.045 -9.921 -7.737 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.644 -10.875 -8.519 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.102 -12.117 -8.688 1.00 0.00 N ATOM 1092 NH2 ARG A 72 19.824 -10.573 -9.139 1.00 0.00 N ATOM 1093 OXT ARG A 72 15.128 -11.067 -3.560 1.00 0.00 O ATOM 0 H ARG A 72 12.391 -8.690 -5.493 1.00 0.00 H new ATOM 0 HA ARG A 72 14.303 -10.805 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.268 -8.496 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.659 -7.819 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.698 -7.935 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.791 -9.162 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.286 -10.941 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.985 -9.761 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 72 18.615 -9.164 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.225 -12.358 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.574 -12.803 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.244 -9.651 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.285 -11.269 -9.725 1.00 0.00 H new