USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 424 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 32 CYS SG : rot -179:sc= -0.573 USER MOD Set 1.2: A 35 CYS SG : rot -101:sc= 0.469 USER MOD Set 1.3: A 54 CYS SG : rot 160:sc= 0.652 USER MOD Set 1.4: A 57 CYS SG : rot -51:sc= 0.929 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.051 USER MOD Set 2.2: A 18 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 48 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Set 3.1: A 42 CYS SG : rot 180:sc= -0.332 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0.011 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0778 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.194 USER MOD Single : A 7 SER OG : rot -103:sc= 0.317 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.21) USER MOD Single : A 13 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-1.3) USER MOD Single : A 14 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.2!) USER MOD Single : A 15 CYS SG : rot -170:sc= -0.0796 USER MOD Single : A 21 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2.8!) USER MOD Single : A 25 MET CE :methyl -160:sc= -0.041 (180deg=-0.375) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0854) USER MOD Single : A 37 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.2!) USER MOD Single : A 40 SER OG : rot 34:sc= 1.02 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.029) USER MOD Single : A 45 CYS SG : rot -83:sc= -0.0436 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.138 -3.043 0.763 1.00 13.45 N ATOM 2 CA GLY A 1 5.603 -1.824 1.343 1.00 74.42 C ATOM 3 C GLY A 1 5.928 -0.597 0.515 1.00 22.01 C ATOM 4 O GLY A 1 6.687 -0.675 -0.450 1.00 45.32 O ATOM 0 H1 GLY A 1 5.359 -3.700 0.556 1.00 13.45 H new ATOM 0 H2 GLY A 1 6.643 -2.816 -0.117 1.00 13.45 H new ATOM 0 H3 GLY A 1 6.796 -3.487 1.435 1.00 13.45 H new ATOM 0 HA2 GLY A 1 4.521 -1.916 1.441 1.00 74.42 H new ATOM 0 HA3 GLY A 1 6.005 -1.697 2.348 1.00 74.42 H new ATOM 8 N ALA A 2 5.351 0.539 0.892 1.00 2.23 N ATOM 9 CA ALA A 2 5.585 1.788 0.178 1.00 14.31 C ATOM 10 C ALA A 2 5.855 2.933 1.148 1.00 12.23 C ATOM 11 O ALA A 2 5.370 2.928 2.279 1.00 14.32 O ATOM 12 CB ALA A 2 4.395 2.118 -0.712 1.00 21.42 C ATOM 0 H ALA A 2 4.718 0.620 1.688 1.00 2.23 H new ATOM 0 HA ALA A 2 6.469 1.660 -0.447 1.00 14.31 H new ATOM 0 HB1 ALA A 2 4.583 3.053 -1.239 1.00 21.42 H new ATOM 0 HB2 ALA A 2 4.249 1.316 -1.436 1.00 21.42 H new ATOM 0 HB3 ALA A 2 3.500 2.221 -0.099 1.00 21.42 H new ATOM 18 N MET A 3 6.633 3.913 0.699 1.00 73.43 N ATOM 19 CA MET A 3 6.967 5.065 1.528 1.00 33.42 C ATOM 20 C MET A 3 5.768 5.997 1.672 1.00 70.11 C ATOM 21 O MET A 3 4.944 6.108 0.765 1.00 12.23 O ATOM 22 CB MET A 3 8.151 5.826 0.928 1.00 34.34 C ATOM 23 CG MET A 3 9.492 5.156 1.177 1.00 63.13 C ATOM 24 SD MET A 3 9.865 3.876 -0.038 1.00 3.42 S ATOM 25 CE MET A 3 11.480 4.407 -0.603 1.00 71.23 C ATOM 0 H MET A 3 7.044 3.932 -0.234 1.00 73.43 H new ATOM 0 HA MET A 3 7.243 4.701 2.518 1.00 33.42 H new ATOM 0 HB2 MET A 3 7.999 5.929 -0.146 1.00 34.34 H new ATOM 0 HB3 MET A 3 8.174 6.833 1.345 1.00 34.34 H new ATOM 0 HG2 MET A 3 10.279 5.910 1.159 1.00 63.13 H new ATOM 0 HG3 MET A 3 9.495 4.717 2.175 1.00 63.13 H new ATOM 0 HE1 MET A 3 11.847 3.714 -1.360 1.00 71.23 H new ATOM 0 HE2 MET A 3 11.405 5.406 -1.032 1.00 71.23 H new ATOM 0 HE3 MET A 3 12.172 4.424 0.239 1.00 71.23 H new ATOM 35 N GLY A 4 5.677 6.665 2.818 1.00 43.01 N ATOM 36 CA GLY A 4 4.576 7.578 3.059 1.00 54.52 C ATOM 37 C GLY A 4 4.919 9.010 2.696 1.00 22.42 C ATOM 38 O GLY A 4 4.813 9.911 3.528 1.00 35.30 O ATOM 0 H GLY A 4 6.347 6.590 3.584 1.00 43.01 H new ATOM 0 HA2 GLY A 4 3.709 7.258 2.481 1.00 54.52 H new ATOM 0 HA3 GLY A 4 4.293 7.531 4.110 1.00 54.52 H new ATOM 42 N SER A 5 5.335 9.220 1.451 1.00 35.41 N ATOM 43 CA SER A 5 5.700 10.551 0.982 1.00 65.34 C ATOM 44 C SER A 5 4.584 11.552 1.261 1.00 35.44 C ATOM 45 O SER A 5 4.828 12.640 1.780 1.00 15.32 O ATOM 46 CB SER A 5 6.009 10.519 -0.517 1.00 1.35 C ATOM 47 OG SER A 5 4.837 10.270 -1.273 1.00 42.45 O ATOM 0 H SER A 5 5.428 8.485 0.749 1.00 35.41 H new ATOM 0 HA SER A 5 6.591 10.868 1.524 1.00 65.34 H new ATOM 0 HB2 SER A 5 6.447 11.469 -0.822 1.00 1.35 H new ATOM 0 HB3 SER A 5 6.749 9.746 -0.723 1.00 1.35 H new ATOM 0 HG SER A 5 5.060 10.256 -2.227 1.00 42.45 H new ATOM 53 N GLU A 6 3.358 11.173 0.913 1.00 15.32 N ATOM 54 CA GLU A 6 2.203 12.038 1.126 1.00 72.10 C ATOM 55 C GLU A 6 2.085 12.437 2.594 1.00 31.22 C ATOM 56 O GLU A 6 1.697 13.560 2.914 1.00 54.30 O ATOM 57 CB GLU A 6 0.921 11.335 0.673 1.00 43.44 C ATOM 58 CG GLU A 6 -0.187 12.293 0.268 1.00 71.32 C ATOM 59 CD GLU A 6 -1.563 11.659 0.347 1.00 44.44 C ATOM 60 OE1 GLU A 6 -1.945 11.204 1.445 1.00 42.24 O ATOM 61 OE2 GLU A 6 -2.257 11.619 -0.691 1.00 1.51 O ATOM 0 H GLU A 6 3.139 10.274 0.483 1.00 15.32 H new ATOM 0 HA GLU A 6 2.344 12.941 0.532 1.00 72.10 H new ATOM 0 HB2 GLU A 6 1.152 10.683 -0.169 1.00 43.44 H new ATOM 0 HB3 GLU A 6 0.561 10.697 1.480 1.00 43.44 H new ATOM 0 HG2 GLU A 6 -0.158 13.171 0.914 1.00 71.32 H new ATOM 0 HG3 GLU A 6 -0.009 12.640 -0.750 1.00 71.32 H new ATOM 68 N SER A 7 2.422 11.508 3.483 1.00 65.33 N ATOM 69 CA SER A 7 2.351 11.760 4.917 1.00 33.22 C ATOM 70 C SER A 7 3.219 12.953 5.303 1.00 3.21 C ATOM 71 O SER A 7 2.754 13.888 5.954 1.00 73.11 O ATOM 72 CB SER A 7 2.792 10.520 5.697 1.00 20.21 C ATOM 73 OG SER A 7 2.218 10.501 6.992 1.00 34.23 O ATOM 0 H SER A 7 2.747 10.574 3.235 1.00 65.33 H new ATOM 0 HA SER A 7 1.316 11.990 5.169 1.00 33.22 H new ATOM 0 HB2 SER A 7 2.500 9.622 5.153 1.00 20.21 H new ATOM 0 HB3 SER A 7 3.879 10.505 5.777 1.00 20.21 H new ATOM 0 HG SER A 7 2.891 10.770 7.652 1.00 34.23 H new ATOM 79 N GLU A 8 4.484 12.913 4.897 1.00 63.55 N ATOM 80 CA GLU A 8 5.419 13.990 5.200 1.00 33.14 C ATOM 81 C GLU A 8 6.489 14.104 4.118 1.00 32.55 C ATOM 82 O GLU A 8 6.800 13.128 3.436 1.00 44.45 O ATOM 83 CB GLU A 8 6.077 13.755 6.562 1.00 40.24 C ATOM 84 CG GLU A 8 5.170 14.070 7.739 1.00 53.30 C ATOM 85 CD GLU A 8 4.276 12.904 8.116 1.00 45.25 C ATOM 86 OE1 GLU A 8 3.162 13.151 8.622 1.00 73.12 O ATOM 87 OE2 GLU A 8 4.692 11.746 7.905 1.00 73.35 O ATOM 0 H GLU A 8 4.885 12.146 4.357 1.00 63.55 H new ATOM 0 HA GLU A 8 4.859 14.925 5.231 1.00 33.14 H new ATOM 0 HB2 GLU A 8 6.395 12.714 6.628 1.00 40.24 H new ATOM 0 HB3 GLU A 8 6.976 14.368 6.632 1.00 40.24 H new ATOM 0 HG2 GLU A 8 5.780 14.348 8.599 1.00 53.30 H new ATOM 0 HG3 GLU A 8 4.551 14.933 7.495 1.00 53.30 H new ATOM 94 N GLN A 9 7.046 15.301 3.969 1.00 22.22 N ATOM 95 CA GLN A 9 8.080 15.542 2.970 1.00 41.23 C ATOM 96 C GLN A 9 9.058 16.611 3.446 1.00 43.23 C ATOM 97 O GLN A 9 8.757 17.380 4.359 1.00 31.41 O ATOM 98 CB GLN A 9 7.448 15.967 1.643 1.00 14.14 C ATOM 99 CG GLN A 9 6.380 15.007 1.143 1.00 3.22 C ATOM 100 CD GLN A 9 5.880 15.362 -0.243 1.00 74.01 C ATOM 101 OE1 GLN A 9 5.074 16.278 -0.409 1.00 51.21 O ATOM 102 NE2 GLN A 9 6.356 14.637 -1.248 1.00 74.53 N ATOM 0 H GLN A 9 6.799 16.118 4.527 1.00 22.22 H new ATOM 0 HA GLN A 9 8.630 14.613 2.821 1.00 41.23 H new ATOM 0 HB2 GLN A 9 7.008 16.958 1.760 1.00 14.14 H new ATOM 0 HB3 GLN A 9 8.230 16.053 0.888 1.00 14.14 H new ATOM 0 HG2 GLN A 9 6.784 13.995 1.131 1.00 3.22 H new ATOM 0 HG3 GLN A 9 5.541 15.008 1.839 1.00 3.22 H new ATOM 0 HE21 GLN A 9 7.023 13.887 -1.065 1.00 74.53 H new ATOM 0 HE22 GLN A 9 6.055 14.830 -2.203 1.00 74.53 H new ATOM 111 N ARG A 10 10.231 16.654 2.821 1.00 34.20 N ATOM 112 CA ARG A 10 11.254 17.628 3.182 1.00 33.41 C ATOM 113 C ARG A 10 10.772 19.049 2.908 1.00 42.25 C ATOM 114 O ARG A 10 10.119 19.310 1.897 1.00 50.42 O ATOM 115 CB ARG A 10 12.543 17.356 2.406 1.00 65.43 C ATOM 116 CG ARG A 10 13.451 16.334 3.071 1.00 31.21 C ATOM 117 CD ARG A 10 13.015 14.912 2.755 1.00 75.21 C ATOM 118 NE ARG A 10 11.942 14.459 3.637 1.00 1.51 N ATOM 119 CZ ARG A 10 11.445 13.228 3.618 1.00 25.44 C ATOM 120 NH1 ARG A 10 11.923 12.330 2.767 1.00 34.24 N ATOM 121 NH2 ARG A 10 10.470 12.892 4.453 1.00 72.54 N ATOM 0 H ARG A 10 10.496 16.026 2.062 1.00 34.20 H new ATOM 0 HA ARG A 10 11.453 17.530 4.249 1.00 33.41 H new ATOM 0 HB2 ARG A 10 12.288 17.006 1.406 1.00 65.43 H new ATOM 0 HB3 ARG A 10 13.089 18.292 2.287 1.00 65.43 H new ATOM 0 HG2 ARG A 10 14.477 16.484 2.735 1.00 31.21 H new ATOM 0 HG3 ARG A 10 13.443 16.487 4.150 1.00 31.21 H new ATOM 0 HD2 ARG A 10 12.680 14.857 1.719 1.00 75.21 H new ATOM 0 HD3 ARG A 10 13.869 14.242 2.850 1.00 75.21 H new ATOM 0 HE ARG A 10 11.553 15.125 4.304 1.00 1.51 H new ATOM 0 HH11 ARG A 10 12.674 12.585 2.125 1.00 34.24 H new ATOM 0 HH12 ARG A 10 11.540 11.385 2.754 1.00 34.24 H new ATOM 0 HH21 ARG A 10 10.102 13.580 5.110 1.00 72.54 H new ATOM 0 HH22 ARG A 10 10.089 11.946 4.438 1.00 72.54 H new ATOM 135 N HIS A 11 11.099 19.965 3.814 1.00 31.33 N ATOM 136 CA HIS A 11 10.700 21.360 3.670 1.00 51.21 C ATOM 137 C HIS A 11 11.400 22.235 4.705 1.00 13.34 C ATOM 138 O HIS A 11 12.235 21.758 5.473 1.00 53.00 O ATOM 139 CB HIS A 11 9.184 21.496 3.811 1.00 14.30 C ATOM 140 CG HIS A 11 8.621 20.744 4.978 1.00 52.43 C ATOM 141 ND1 HIS A 11 7.467 19.993 4.903 1.00 61.10 N ATOM 142 CD2 HIS A 11 9.061 20.630 6.253 1.00 72.34 C ATOM 143 CE1 HIS A 11 7.221 19.450 6.082 1.00 72.12 C ATOM 144 NE2 HIS A 11 8.173 19.820 6.918 1.00 5.44 N ATOM 0 H HIS A 11 11.639 19.766 4.656 1.00 31.33 H new ATOM 0 HA HIS A 11 10.996 21.696 2.676 1.00 51.21 H new ATOM 0 HB2 HIS A 11 8.930 22.551 3.913 1.00 14.30 H new ATOM 0 HB3 HIS A 11 8.709 21.140 2.897 1.00 14.30 H new ATOM 0 HD2 HIS A 11 9.945 21.090 6.670 1.00 72.34 H new ATOM 0 HE1 HIS A 11 6.383 18.812 6.321 1.00 72.12 H new ATOM 0 HE2 HIS A 11 8.239 19.548 7.899 1.00 5.44 H new ATOM 152 N ALA A 12 11.053 23.518 4.720 1.00 45.42 N ATOM 153 CA ALA A 12 11.647 24.459 5.661 1.00 3.34 C ATOM 154 C ALA A 12 11.035 25.848 5.510 1.00 20.41 C ATOM 155 O ALA A 12 10.242 26.092 4.600 1.00 64.23 O ATOM 156 CB ALA A 12 13.155 24.521 5.466 1.00 50.12 C ATOM 0 H ALA A 12 10.363 23.929 4.091 1.00 45.42 H new ATOM 0 HA ALA A 12 11.436 24.106 6.670 1.00 3.34 H new ATOM 0 HB1 ALA A 12 13.585 25.228 6.176 1.00 50.12 H new ATOM 0 HB2 ALA A 12 13.584 23.533 5.633 1.00 50.12 H new ATOM 0 HB3 ALA A 12 13.377 24.847 4.450 1.00 50.12 H new ATOM 162 N HIS A 13 11.407 26.754 6.408 1.00 13.52 N ATOM 163 CA HIS A 13 10.893 28.119 6.374 1.00 3.31 C ATOM 164 C HIS A 13 11.455 28.881 5.178 1.00 42.43 C ATOM 165 O HIS A 13 12.617 29.288 5.180 1.00 53.11 O ATOM 166 CB HIS A 13 11.244 28.851 7.670 1.00 11.00 C ATOM 167 CG HIS A 13 10.215 28.689 8.746 1.00 1.14 C ATOM 168 ND1 HIS A 13 10.227 29.421 9.915 1.00 53.32 N ATOM 169 CD2 HIS A 13 9.138 27.874 8.826 1.00 74.23 C ATOM 170 CE1 HIS A 13 9.202 29.062 10.667 1.00 11.11 C ATOM 171 NE2 HIS A 13 8.525 28.125 10.029 1.00 72.32 N ATOM 0 H HIS A 13 12.062 26.568 7.168 1.00 13.52 H new ATOM 0 HA HIS A 13 9.809 28.070 6.275 1.00 3.31 H new ATOM 0 HB2 HIS A 13 12.203 28.484 8.037 1.00 11.00 H new ATOM 0 HB3 HIS A 13 11.370 29.912 7.456 1.00 11.00 H new ATOM 0 HD1 HIS A 13 10.919 30.129 10.160 1.00 53.32 H new ATOM 0 HD2 HIS A 13 8.820 27.159 8.082 1.00 74.23 H new ATOM 0 HE1 HIS A 13 8.959 29.466 11.639 1.00 11.11 H new ATOM 179 N GLN A 14 10.623 29.070 4.158 1.00 23.44 N ATOM 180 CA GLN A 14 11.039 29.781 2.955 1.00 13.45 C ATOM 181 C GLN A 14 10.091 30.937 2.652 1.00 33.01 C ATOM 182 O GLN A 14 9.015 31.042 3.243 1.00 3.02 O ATOM 183 CB GLN A 14 11.092 28.824 1.764 1.00 64.12 C ATOM 184 CG GLN A 14 12.462 28.203 1.544 1.00 63.14 C ATOM 185 CD GLN A 14 12.383 26.807 0.957 1.00 10.14 C ATOM 186 OE1 GLN A 14 11.361 26.130 1.074 1.00 64.43 O ATOM 187 NE2 GLN A 14 13.464 26.369 0.322 1.00 12.13 N ATOM 0 H GLN A 14 9.658 28.741 4.141 1.00 23.44 H new ATOM 0 HA GLN A 14 12.035 30.187 3.129 1.00 13.45 H new ATOM 0 HB2 GLN A 14 10.362 28.029 1.914 1.00 64.12 H new ATOM 0 HB3 GLN A 14 10.797 29.362 0.863 1.00 64.12 H new ATOM 0 HG2 GLN A 14 13.043 28.841 0.878 1.00 63.14 H new ATOM 0 HG3 GLN A 14 12.996 28.164 2.494 1.00 63.14 H new ATOM 0 HE21 GLN A 14 14.289 26.964 0.249 1.00 12.13 H new ATOM 0 HE22 GLN A 14 13.469 25.437 -0.093 1.00 12.13 H new ATOM 196 N CYS A 15 10.496 31.801 1.729 1.00 43.34 N ATOM 197 CA CYS A 15 9.683 32.951 1.347 1.00 21.35 C ATOM 198 C CYS A 15 8.438 32.507 0.587 1.00 53.42 C ATOM 199 O CYS A 15 8.507 31.649 -0.293 1.00 45.44 O ATOM 200 CB CYS A 15 10.501 33.919 0.491 1.00 31.23 C ATOM 201 SG CYS A 15 9.738 35.544 0.282 1.00 55.43 S ATOM 0 H CYS A 15 11.383 31.728 1.231 1.00 43.34 H new ATOM 0 HA CYS A 15 9.368 33.461 2.257 1.00 21.35 H new ATOM 0 HB2 CYS A 15 11.484 34.047 0.944 1.00 31.23 H new ATOM 0 HB3 CYS A 15 10.659 33.474 -0.492 1.00 31.23 H new ATOM 0 HG CYS A 15 10.391 36.217 -0.618 1.00 55.43 H new ATOM 207 N VAL A 16 7.298 33.097 0.933 1.00 32.23 N ATOM 208 CA VAL A 16 6.036 32.762 0.284 1.00 50.52 C ATOM 209 C VAL A 16 6.020 33.239 -1.164 1.00 50.32 C ATOM 210 O VAL A 16 5.323 32.674 -2.007 1.00 14.52 O ATOM 211 CB VAL A 16 4.839 33.382 1.030 1.00 63.21 C ATOM 212 CG1 VAL A 16 4.850 32.967 2.493 1.00 34.03 C ATOM 213 CG2 VAL A 16 4.855 34.897 0.897 1.00 41.04 C ATOM 0 H VAL A 16 7.223 33.809 1.659 1.00 32.23 H new ATOM 0 HA VAL A 16 5.946 31.676 0.307 1.00 50.52 H new ATOM 0 HB VAL A 16 3.919 33.011 0.578 1.00 63.21 H new ATOM 0 HG11 VAL A 16 3.998 33.414 3.004 1.00 34.03 H new ATOM 0 HG12 VAL A 16 4.787 31.881 2.564 1.00 34.03 H new ATOM 0 HG13 VAL A 16 5.773 33.308 2.961 1.00 34.03 H new ATOM 0 HG21 VAL A 16 4.002 35.318 1.430 1.00 41.04 H new ATOM 0 HG22 VAL A 16 5.779 35.290 1.322 1.00 41.04 H new ATOM 0 HG23 VAL A 16 4.795 35.170 -0.156 1.00 41.04 H new ATOM 223 N SER A 17 6.794 34.282 -1.447 1.00 12.54 N ATOM 224 CA SER A 17 6.866 34.838 -2.793 1.00 4.22 C ATOM 225 C SER A 17 7.754 33.979 -3.688 1.00 3.11 C ATOM 226 O SER A 17 7.298 33.432 -4.692 1.00 74.04 O ATOM 227 CB SER A 17 7.402 36.271 -2.748 1.00 31.42 C ATOM 228 OG SER A 17 7.751 36.726 -4.044 1.00 32.52 O ATOM 0 H SER A 17 7.380 34.759 -0.762 1.00 12.54 H new ATOM 0 HA SER A 17 5.859 34.847 -3.210 1.00 4.22 H new ATOM 0 HB2 SER A 17 6.649 36.931 -2.318 1.00 31.42 H new ATOM 0 HB3 SER A 17 8.274 36.316 -2.096 1.00 31.42 H new ATOM 0 HG SER A 17 8.089 37.644 -3.988 1.00 32.52 H new ATOM 234 N CYS A 18 9.024 33.866 -3.316 1.00 65.43 N ATOM 235 CA CYS A 18 9.978 33.074 -4.085 1.00 63.12 C ATOM 236 C CYS A 18 10.369 31.809 -3.329 1.00 23.53 C ATOM 237 O CYS A 18 9.913 30.713 -3.653 1.00 64.04 O ATOM 238 CB CYS A 18 11.226 33.902 -4.397 1.00 74.04 C ATOM 239 SG CYS A 18 10.942 35.250 -5.568 1.00 44.41 S ATOM 0 H CYS A 18 9.417 34.312 -2.487 1.00 65.43 H new ATOM 0 HA CYS A 18 9.500 32.783 -5.021 1.00 63.12 H new ATOM 0 HB2 CYS A 18 11.615 34.318 -3.468 1.00 74.04 H new ATOM 0 HB3 CYS A 18 11.996 33.243 -4.798 1.00 74.04 H new ATOM 0 HG CYS A 18 12.054 35.894 -5.767 1.00 44.41 H new ATOM 245 N GLY A 19 11.219 31.968 -2.318 1.00 72.22 N ATOM 246 CA GLY A 19 11.659 30.830 -1.532 1.00 74.35 C ATOM 247 C GLY A 19 13.028 31.043 -0.919 1.00 42.22 C ATOM 248 O GLY A 19 13.838 30.118 -0.855 1.00 72.42 O ATOM 0 H GLY A 19 11.610 32.865 -2.030 1.00 72.22 H new ATOM 0 HA2 GLY A 19 10.935 30.638 -0.740 1.00 74.35 H new ATOM 0 HA3 GLY A 19 11.682 29.943 -2.165 1.00 74.35 H new ATOM 252 N ILE A 20 13.289 32.266 -0.469 1.00 21.31 N ATOM 253 CA ILE A 20 14.571 32.597 0.141 1.00 14.14 C ATOM 254 C ILE A 20 14.847 31.714 1.353 1.00 23.22 C ATOM 255 O ILE A 20 13.935 31.366 2.102 1.00 71.04 O ATOM 256 CB ILE A 20 14.623 34.074 0.574 1.00 12.23 C ATOM 257 CG1 ILE A 20 14.413 34.990 -0.633 1.00 63.04 C ATOM 258 CG2 ILE A 20 15.949 34.380 1.254 1.00 12.43 C ATOM 259 CD1 ILE A 20 12.988 35.474 -0.785 1.00 20.40 C ATOM 0 H ILE A 20 12.630 33.043 -0.515 1.00 21.31 H new ATOM 0 HA ILE A 20 15.336 32.421 -0.616 1.00 14.14 H new ATOM 0 HB ILE A 20 13.820 34.256 1.288 1.00 12.23 H new ATOM 0 HG12 ILE A 20 15.073 35.853 -0.543 1.00 63.04 H new ATOM 0 HG13 ILE A 20 14.706 34.458 -1.538 1.00 63.04 H new ATOM 0 HG21 ILE A 20 15.971 35.428 1.554 1.00 12.43 H new ATOM 0 HG22 ILE A 20 16.061 33.748 2.135 1.00 12.43 H new ATOM 0 HG23 ILE A 20 16.767 34.184 0.561 1.00 12.43 H new ATOM 0 HD11 ILE A 20 12.914 36.118 -1.661 1.00 20.40 H new ATOM 0 HD12 ILE A 20 12.324 34.618 -0.907 1.00 20.40 H new ATOM 0 HD13 ILE A 20 12.698 36.035 0.103 1.00 20.40 H new ATOM 271 N ASN A 21 16.113 31.356 1.541 1.00 24.11 N ATOM 272 CA ASN A 21 16.511 30.514 2.663 1.00 22.24 C ATOM 273 C ASN A 21 16.569 31.322 3.956 1.00 32.02 C ATOM 274 O ASN A 21 17.619 31.421 4.592 1.00 72.41 O ATOM 275 CB ASN A 21 17.873 29.872 2.389 1.00 74.10 C ATOM 276 CG ASN A 21 18.955 30.901 2.128 1.00 41.31 C ATOM 277 OD1 ASN A 21 18.934 31.597 1.113 1.00 53.15 O ATOM 278 ND2 ASN A 21 19.909 31.002 3.046 1.00 1.31 N ATOM 0 H ASN A 21 16.881 31.636 0.931 1.00 24.11 H new ATOM 0 HA ASN A 21 15.763 29.729 2.778 1.00 22.24 H new ATOM 0 HB2 ASN A 21 18.159 29.256 3.241 1.00 74.10 H new ATOM 0 HB3 ASN A 21 17.792 29.208 1.529 1.00 74.10 H new ATOM 0 HD21 ASN A 21 20.664 31.677 2.925 1.00 1.31 H new ATOM 0 HD22 ASN A 21 19.887 30.405 3.872 1.00 1.31 H new ATOM 285 N ILE A 22 15.434 31.897 4.339 1.00 51.32 N ATOM 286 CA ILE A 22 15.355 32.695 5.556 1.00 0.12 C ATOM 287 C ILE A 22 14.806 31.873 6.717 1.00 14.33 C ATOM 288 O ILE A 22 14.077 32.388 7.565 1.00 31.20 O ATOM 289 CB ILE A 22 14.469 33.939 5.358 1.00 71.03 C ATOM 290 CG1 ILE A 22 13.094 33.533 4.824 1.00 33.51 C ATOM 291 CG2 ILE A 22 15.141 34.922 4.411 1.00 11.43 C ATOM 292 CD1 ILE A 22 12.066 34.640 4.895 1.00 4.53 C ATOM 0 H ILE A 22 14.557 31.825 3.824 1.00 51.32 H new ATOM 0 HA ILE A 22 16.370 33.016 5.789 1.00 0.12 H new ATOM 0 HB ILE A 22 14.334 34.428 6.323 1.00 71.03 H new ATOM 0 HG12 ILE A 22 13.197 33.210 3.788 1.00 33.51 H new ATOM 0 HG13 ILE A 22 12.732 32.675 5.391 1.00 33.51 H new ATOM 0 HG21 ILE A 22 14.503 35.796 4.281 1.00 11.43 H new ATOM 0 HG22 ILE A 22 16.100 35.231 4.828 1.00 11.43 H new ATOM 0 HG23 ILE A 22 15.303 34.444 3.445 1.00 11.43 H new ATOM 0 HD11 ILE A 22 11.116 34.280 4.500 1.00 4.53 H new ATOM 0 HD12 ILE A 22 11.934 34.948 5.932 1.00 4.53 H new ATOM 0 HD13 ILE A 22 12.406 35.491 4.304 1.00 4.53 H new ATOM 304 N ALA A 23 15.162 30.593 6.750 1.00 53.32 N ATOM 305 CA ALA A 23 14.708 29.701 7.809 1.00 74.20 C ATOM 306 C ALA A 23 15.382 30.035 9.135 1.00 13.23 C ATOM 307 O ALA A 23 16.595 29.890 9.280 1.00 12.51 O ATOM 308 CB ALA A 23 14.975 28.252 7.429 1.00 24.02 C ATOM 0 H ALA A 23 15.764 30.151 6.055 1.00 53.32 H new ATOM 0 HA ALA A 23 13.634 29.841 7.932 1.00 74.20 H new ATOM 0 HB1 ALA A 23 14.631 27.597 8.229 1.00 24.02 H new ATOM 0 HB2 ALA A 23 14.441 28.013 6.509 1.00 24.02 H new ATOM 0 HB3 ALA A 23 16.044 28.107 7.276 1.00 24.02 H new ATOM 314 N GLY A 24 14.586 30.484 10.102 1.00 44.34 N ATOM 315 CA GLY A 24 15.125 30.833 11.403 1.00 12.23 C ATOM 316 C GLY A 24 16.021 32.054 11.352 1.00 45.34 C ATOM 317 O GLY A 24 16.810 32.292 12.266 1.00 41.43 O ATOM 0 H GLY A 24 13.579 30.612 10.007 1.00 44.34 H new ATOM 0 HA2 GLY A 24 14.304 31.018 12.095 1.00 12.23 H new ATOM 0 HA3 GLY A 24 15.690 29.988 11.797 1.00 12.23 H new ATOM 321 N MET A 25 15.902 32.829 10.278 1.00 0.14 N ATOM 322 CA MET A 25 16.709 34.032 10.111 1.00 3.12 C ATOM 323 C MET A 25 15.858 35.286 10.283 1.00 1.21 C ATOM 324 O MET A 25 14.691 35.208 10.665 1.00 35.30 O ATOM 325 CB MET A 25 17.375 34.038 8.734 1.00 52.13 C ATOM 326 CG MET A 25 18.232 32.812 8.468 1.00 63.43 C ATOM 327 SD MET A 25 19.821 32.877 9.319 1.00 74.33 S ATOM 328 CE MET A 25 20.667 34.130 8.360 1.00 44.22 C ATOM 0 H MET A 25 15.255 32.645 9.511 1.00 0.14 H new ATOM 0 HA MET A 25 17.481 34.031 10.880 1.00 3.12 H new ATOM 0 HB2 MET A 25 16.604 34.105 7.967 1.00 52.13 H new ATOM 0 HB3 MET A 25 17.994 34.931 8.643 1.00 52.13 H new ATOM 0 HG2 MET A 25 17.691 31.920 8.784 1.00 63.43 H new ATOM 0 HG3 MET A 25 18.402 32.718 7.395 1.00 63.43 H new ATOM 0 HE1 MET A 25 21.742 34.041 8.514 1.00 44.22 H new ATOM 0 HE2 MET A 25 20.439 33.994 7.303 1.00 44.22 H new ATOM 0 HE3 MET A 25 20.335 35.118 8.679 1.00 44.22 H new ATOM 338 N SER A 26 16.451 36.442 9.999 1.00 35.31 N ATOM 339 CA SER A 26 15.747 37.713 10.127 1.00 64.25 C ATOM 340 C SER A 26 14.775 37.914 8.968 1.00 43.40 C ATOM 341 O SER A 26 15.181 37.985 7.808 1.00 11.33 O ATOM 342 CB SER A 26 16.747 38.870 10.176 1.00 71.02 C ATOM 343 OG SER A 26 17.737 38.647 11.164 1.00 23.34 O ATOM 0 H SER A 26 17.416 36.524 9.679 1.00 35.31 H new ATOM 0 HA SER A 26 15.178 37.694 11.056 1.00 64.25 H new ATOM 0 HB2 SER A 26 17.221 38.986 9.201 1.00 71.02 H new ATOM 0 HB3 SER A 26 16.221 39.801 10.388 1.00 71.02 H new ATOM 0 HG SER A 26 18.365 39.400 11.174 1.00 23.34 H new ATOM 349 N ALA A 27 13.490 38.006 9.292 1.00 74.33 N ATOM 350 CA ALA A 27 12.459 38.201 8.280 1.00 40.14 C ATOM 351 C ALA A 27 11.078 38.312 8.917 1.00 40.14 C ATOM 352 O ALA A 27 10.916 38.081 10.114 1.00 23.14 O ATOM 353 CB ALA A 27 12.487 37.062 7.271 1.00 2.30 C ATOM 0 H ALA A 27 13.138 37.949 10.247 1.00 74.33 H new ATOM 0 HA ALA A 27 12.667 39.137 7.761 1.00 40.14 H new ATOM 0 HB1 ALA A 27 11.712 37.221 6.521 1.00 2.30 H new ATOM 0 HB2 ALA A 27 13.462 37.031 6.784 1.00 2.30 H new ATOM 0 HB3 ALA A 27 12.308 36.117 7.784 1.00 2.30 H new ATOM 359 N ALA A 28 10.085 38.668 8.108 1.00 63.11 N ATOM 360 CA ALA A 28 8.718 38.808 8.593 1.00 51.22 C ATOM 361 C ALA A 28 8.194 37.488 9.147 1.00 73.21 C ATOM 362 O ALA A 28 7.986 36.529 8.403 1.00 32.51 O ATOM 363 CB ALA A 28 7.812 39.312 7.479 1.00 40.10 C ATOM 0 H ALA A 28 10.202 38.865 7.114 1.00 63.11 H new ATOM 0 HA ALA A 28 8.719 39.537 9.403 1.00 51.22 H new ATOM 0 HB1 ALA A 28 6.794 39.412 7.855 1.00 40.10 H new ATOM 0 HB2 ALA A 28 8.167 40.282 7.132 1.00 40.10 H new ATOM 0 HB3 ALA A 28 7.825 38.603 6.651 1.00 40.10 H new ATOM 369 N THR A 29 7.982 37.444 10.459 1.00 41.12 N ATOM 370 CA THR A 29 7.484 36.241 11.113 1.00 61.31 C ATOM 371 C THR A 29 6.053 36.433 11.601 1.00 31.43 C ATOM 372 O THR A 29 5.798 37.216 12.516 1.00 3.22 O ATOM 373 CB THR A 29 8.373 35.841 12.306 1.00 15.42 C ATOM 374 OG1 THR A 29 9.483 36.739 12.412 1.00 0.12 O ATOM 375 CG2 THR A 29 8.880 34.416 12.150 1.00 34.41 C ATOM 0 H THR A 29 8.148 38.229 11.089 1.00 41.12 H new ATOM 0 HA THR A 29 7.507 35.444 10.370 1.00 61.31 H new ATOM 0 HB THR A 29 7.772 35.898 13.214 1.00 15.42 H new ATOM 0 HG1 THR A 29 10.042 36.479 13.173 1.00 0.12 H new ATOM 0 HG21 THR A 29 9.505 34.157 13.004 1.00 34.41 H new ATOM 0 HG22 THR A 29 8.033 33.732 12.099 1.00 34.41 H new ATOM 0 HG23 THR A 29 9.466 34.336 11.234 1.00 34.41 H new ATOM 383 N PHE A 30 5.121 35.712 10.986 1.00 1.02 N ATOM 384 CA PHE A 30 3.714 35.803 11.359 1.00 42.53 C ATOM 385 C PHE A 30 2.991 34.490 11.078 1.00 32.43 C ATOM 386 O PHE A 30 3.288 33.799 10.103 1.00 2.22 O ATOM 387 CB PHE A 30 3.036 36.945 10.597 1.00 23.44 C ATOM 388 CG PHE A 30 2.941 36.705 9.118 1.00 62.32 C ATOM 389 CD1 PHE A 30 4.076 36.734 8.323 1.00 20.25 C ATOM 390 CD2 PHE A 30 1.717 36.451 8.521 1.00 33.41 C ATOM 391 CE1 PHE A 30 3.992 36.513 6.962 1.00 41.15 C ATOM 392 CE2 PHE A 30 1.627 36.229 7.160 1.00 74.20 C ATOM 393 CZ PHE A 30 2.765 36.261 6.379 1.00 5.30 C ATOM 0 H PHE A 30 5.315 35.058 10.227 1.00 1.02 H new ATOM 0 HA PHE A 30 3.659 36.006 12.429 1.00 42.53 H new ATOM 0 HB2 PHE A 30 2.033 37.094 10.998 1.00 23.44 H new ATOM 0 HB3 PHE A 30 3.590 37.867 10.773 1.00 23.44 H new ATOM 0 HD1 PHE A 30 5.038 36.932 8.773 1.00 20.25 H new ATOM 0 HD2 PHE A 30 0.823 36.426 9.126 1.00 33.41 H new ATOM 0 HE1 PHE A 30 4.884 36.537 6.354 1.00 41.15 H new ATOM 0 HE2 PHE A 30 0.667 36.031 6.707 1.00 74.20 H new ATOM 0 HZ PHE A 30 2.696 36.089 5.315 1.00 5.30 H new ATOM 403 N LYS A 31 2.039 34.149 11.941 1.00 50.43 N ATOM 404 CA LYS A 31 1.271 32.919 11.788 1.00 41.42 C ATOM 405 C LYS A 31 0.019 33.160 10.950 1.00 65.02 C ATOM 406 O LYS A 31 -0.647 34.186 11.093 1.00 31.31 O ATOM 407 CB LYS A 31 0.881 32.364 13.159 1.00 34.22 C ATOM 408 CG LYS A 31 -0.492 32.813 13.629 1.00 52.10 C ATOM 409 CD LYS A 31 -0.750 32.405 15.070 1.00 63.22 C ATOM 410 CE LYS A 31 -1.918 33.174 15.667 1.00 50.32 C ATOM 411 NZ LYS A 31 -3.158 33.017 14.857 1.00 63.31 N ATOM 0 H LYS A 31 1.781 34.708 12.754 1.00 50.43 H new ATOM 0 HA LYS A 31 1.897 32.191 11.273 1.00 41.42 H new ATOM 0 HB2 LYS A 31 0.904 31.275 13.121 1.00 34.22 H new ATOM 0 HB3 LYS A 31 1.626 32.673 13.892 1.00 34.22 H new ATOM 0 HG2 LYS A 31 -0.573 33.896 13.537 1.00 52.10 H new ATOM 0 HG3 LYS A 31 -1.257 32.380 12.985 1.00 52.10 H new ATOM 0 HD2 LYS A 31 -0.956 31.336 15.115 1.00 63.22 H new ATOM 0 HD3 LYS A 31 0.146 32.582 15.665 1.00 63.22 H new ATOM 0 HE2 LYS A 31 -2.101 32.825 16.683 1.00 50.32 H new ATOM 0 HE3 LYS A 31 -1.660 34.231 15.735 1.00 50.32 H new ATOM 0 HZ1 LYS A 31 -3.969 33.396 15.387 1.00 63.31 H new ATOM 0 HZ2 LYS A 31 -3.056 33.537 13.962 1.00 63.31 H new ATOM 0 HZ3 LYS A 31 -3.316 32.009 14.656 1.00 63.31 H new ATOM 425 N CYS A 32 -0.294 32.209 10.077 1.00 34.12 N ATOM 426 CA CYS A 32 -1.467 32.318 9.217 1.00 71.43 C ATOM 427 C CYS A 32 -2.751 32.282 10.040 1.00 44.22 C ATOM 428 O CYS A 32 -2.951 31.411 10.886 1.00 23.41 O ATOM 429 CB CYS A 32 -1.476 31.187 8.187 1.00 51.24 C ATOM 430 SG CYS A 32 -2.674 31.415 6.852 1.00 71.44 S ATOM 0 H CYS A 32 0.247 31.355 9.946 1.00 34.12 H new ATOM 0 HA CYS A 32 -1.418 33.274 8.697 1.00 71.43 H new ATOM 0 HB2 CYS A 32 -0.479 31.095 7.755 1.00 51.24 H new ATOM 0 HB3 CYS A 32 -1.690 30.248 8.697 1.00 51.24 H new ATOM 0 HG CYS A 32 -2.620 30.399 6.042 1.00 71.44 H new ATOM 436 N PRO A 33 -3.642 33.253 9.789 1.00 62.43 N ATOM 437 CA PRO A 33 -4.921 33.355 10.497 1.00 52.10 C ATOM 438 C PRO A 33 -5.885 32.236 10.117 1.00 54.50 C ATOM 439 O PRO A 33 -6.977 32.128 10.676 1.00 23.04 O ATOM 440 CB PRO A 33 -5.470 34.711 10.044 1.00 23.43 C ATOM 441 CG PRO A 33 -4.833 34.953 8.719 1.00 12.55 C ATOM 442 CD PRO A 33 -3.469 34.324 8.794 1.00 54.43 C ATOM 0 HA PRO A 33 -4.797 33.269 11.577 1.00 52.10 H new ATOM 0 HB2 PRO A 33 -6.557 34.691 9.963 1.00 23.43 H new ATOM 0 HB3 PRO A 33 -5.217 35.498 10.755 1.00 23.43 H new ATOM 0 HG2 PRO A 33 -5.423 34.511 7.916 1.00 12.55 H new ATOM 0 HG3 PRO A 33 -4.760 36.020 8.510 1.00 12.55 H new ATOM 0 HD2 PRO A 33 -3.155 33.928 7.828 1.00 54.43 H new ATOM 0 HD3 PRO A 33 -2.711 35.043 9.105 1.00 54.43 H new ATOM 450 N ASP A 34 -5.476 31.407 9.164 1.00 45.13 N ATOM 451 CA ASP A 34 -6.303 30.295 8.710 1.00 2.10 C ATOM 452 C ASP A 34 -5.919 29.004 9.427 1.00 52.40 C ATOM 453 O ASP A 34 -6.784 28.257 9.886 1.00 61.03 O ATOM 454 CB ASP A 34 -6.165 30.113 7.198 1.00 55.34 C ATOM 455 CG ASP A 34 -7.479 29.742 6.538 1.00 63.35 C ATOM 456 OD1 ASP A 34 -8.287 30.655 6.268 1.00 31.01 O ATOM 457 OD2 ASP A 34 -7.698 28.538 6.290 1.00 61.34 O ATOM 0 H ASP A 34 -4.576 31.484 8.690 1.00 45.13 H new ATOM 0 HA ASP A 34 -7.341 30.526 8.947 1.00 2.10 H new ATOM 0 HB2 ASP A 34 -5.788 31.035 6.757 1.00 55.34 H new ATOM 0 HB3 ASP A 34 -5.427 29.337 6.994 1.00 55.34 H new ATOM 462 N CYS A 35 -4.619 28.749 9.519 1.00 61.13 N ATOM 463 CA CYS A 35 -4.121 27.547 10.178 1.00 5.12 C ATOM 464 C CYS A 35 -3.226 27.907 11.360 1.00 63.22 C ATOM 465 O CYS A 35 -3.348 27.333 12.441 1.00 1.44 O ATOM 466 CB CYS A 35 -3.349 26.678 9.185 1.00 63.35 C ATOM 467 SG CYS A 35 -2.201 27.599 8.134 1.00 74.24 S ATOM 0 H CYS A 35 -3.891 29.358 9.146 1.00 61.13 H new ATOM 0 HA CYS A 35 -4.978 26.986 10.551 1.00 5.12 H new ATOM 0 HB2 CYS A 35 -2.792 25.922 9.738 1.00 63.35 H new ATOM 0 HB3 CYS A 35 -4.061 26.150 8.551 1.00 63.35 H new ATOM 0 HG CYS A 35 -2.729 27.768 6.958 1.00 74.24 H new ATOM 473 N GLY A 36 -2.324 28.860 11.144 1.00 10.03 N ATOM 474 CA GLY A 36 -1.420 29.279 12.200 1.00 73.51 C ATOM 475 C GLY A 36 0.000 28.803 11.969 1.00 23.54 C ATOM 476 O GLY A 36 0.777 28.668 12.915 1.00 72.45 O ATOM 0 H GLY A 36 -2.203 29.349 10.257 1.00 10.03 H new ATOM 0 HA2 GLY A 36 -1.428 30.367 12.271 1.00 73.51 H new ATOM 0 HA3 GLY A 36 -1.778 28.894 13.155 1.00 73.51 H new ATOM 480 N GLN A 37 0.340 28.546 10.710 1.00 11.22 N ATOM 481 CA GLN A 37 1.676 28.080 10.360 1.00 63.02 C ATOM 482 C GLN A 37 2.651 29.249 10.256 1.00 73.42 C ATOM 483 O GLN A 37 2.422 30.194 9.502 1.00 14.14 O ATOM 484 CB GLN A 37 1.641 27.311 9.038 1.00 52.01 C ATOM 485 CG GLN A 37 0.817 26.035 9.098 1.00 12.03 C ATOM 486 CD GLN A 37 1.640 24.827 9.498 1.00 25.20 C ATOM 487 OE1 GLN A 37 2.871 24.875 9.506 1.00 32.11 O ATOM 488 NE2 GLN A 37 0.965 23.734 9.833 1.00 73.21 N ATOM 0 H GLN A 37 -0.291 28.653 9.916 1.00 11.22 H new ATOM 0 HA GLN A 37 2.019 27.413 11.151 1.00 63.02 H new ATOM 0 HB2 GLN A 37 1.236 27.959 8.261 1.00 52.01 H new ATOM 0 HB3 GLN A 37 2.661 27.062 8.745 1.00 52.01 H new ATOM 0 HG2 GLN A 37 0.002 26.166 9.810 1.00 12.03 H new ATOM 0 HG3 GLN A 37 0.363 25.854 8.124 1.00 12.03 H new ATOM 0 HE21 GLN A 37 -0.055 23.738 9.812 1.00 73.21 H new ATOM 0 HE22 GLN A 37 1.466 22.890 10.111 1.00 73.21 H new ATOM 497 N GLU A 38 3.738 29.176 11.018 1.00 53.12 N ATOM 498 CA GLU A 38 4.746 30.229 11.011 1.00 11.53 C ATOM 499 C GLU A 38 5.184 30.554 9.586 1.00 3.32 C ATOM 500 O GLU A 38 5.804 29.730 8.913 1.00 33.12 O ATOM 501 CB GLU A 38 5.958 29.811 11.847 1.00 52.34 C ATOM 502 CG GLU A 38 6.783 30.983 12.351 1.00 42.23 C ATOM 503 CD GLU A 38 7.708 30.598 13.489 1.00 44.32 C ATOM 504 OE1 GLU A 38 7.249 29.904 14.419 1.00 72.41 O ATOM 505 OE2 GLU A 38 8.893 30.992 13.448 1.00 0.25 O ATOM 0 H GLU A 38 3.943 28.400 11.647 1.00 53.12 H new ATOM 0 HA GLU A 38 4.303 31.124 11.449 1.00 11.53 H new ATOM 0 HB2 GLU A 38 5.616 29.225 12.700 1.00 52.34 H new ATOM 0 HB3 GLU A 38 6.595 29.160 11.248 1.00 52.34 H new ATOM 0 HG2 GLU A 38 7.373 31.387 11.529 1.00 42.23 H new ATOM 0 HG3 GLU A 38 6.114 31.777 12.684 1.00 42.23 H new ATOM 512 N ILE A 39 4.858 31.760 9.133 1.00 12.15 N ATOM 513 CA ILE A 39 5.218 32.194 7.789 1.00 11.14 C ATOM 514 C ILE A 39 6.465 33.072 7.811 1.00 72.23 C ATOM 515 O ILE A 39 6.547 34.032 8.576 1.00 42.40 O ATOM 516 CB ILE A 39 4.068 32.971 7.122 1.00 41.42 C ATOM 517 CG1 ILE A 39 2.746 32.223 7.302 1.00 54.31 C ATOM 518 CG2 ILE A 39 4.363 33.189 5.645 1.00 1.03 C ATOM 519 CD1 ILE A 39 1.577 32.887 6.608 1.00 33.20 C ATOM 0 H ILE A 39 4.345 32.454 9.677 1.00 12.15 H new ATOM 0 HA ILE A 39 5.421 31.293 7.210 1.00 11.14 H new ATOM 0 HB ILE A 39 3.980 33.945 7.603 1.00 41.42 H new ATOM 0 HG12 ILE A 39 2.857 31.208 6.919 1.00 54.31 H new ATOM 0 HG13 ILE A 39 2.527 32.140 8.366 1.00 54.31 H new ATOM 0 HG21 ILE A 39 3.541 33.739 5.187 1.00 1.03 H new ATOM 0 HG22 ILE A 39 5.286 33.760 5.539 1.00 1.03 H new ATOM 0 HG23 ILE A 39 4.474 32.224 5.150 1.00 1.03 H new ATOM 0 HD11 ILE A 39 0.673 32.302 6.778 1.00 33.20 H new ATOM 0 HD12 ILE A 39 1.440 33.892 7.007 1.00 33.20 H new ATOM 0 HD13 ILE A 39 1.775 32.946 5.538 1.00 33.20 H new ATOM 531 N SER A 40 7.433 32.736 6.964 1.00 72.10 N ATOM 532 CA SER A 40 8.677 33.492 6.887 1.00 41.24 C ATOM 533 C SER A 40 8.855 34.106 5.501 1.00 34.20 C ATOM 534 O SER A 40 9.181 33.410 4.539 1.00 1.13 O ATOM 535 CB SER A 40 9.868 32.590 7.213 1.00 24.35 C ATOM 536 OG SER A 40 10.017 31.569 6.241 1.00 1.53 O ATOM 0 H SER A 40 7.379 31.945 6.322 1.00 72.10 H new ATOM 0 HA SER A 40 8.629 34.298 7.620 1.00 41.24 H new ATOM 0 HB2 SER A 40 10.778 33.188 7.260 1.00 24.35 H new ATOM 0 HB3 SER A 40 9.730 32.142 8.197 1.00 24.35 H new ATOM 0 HG SER A 40 9.750 31.912 5.363 1.00 1.53 H new ATOM 542 N ARG A 41 8.637 35.414 5.408 1.00 71.53 N ATOM 543 CA ARG A 41 8.771 36.122 4.141 1.00 61.15 C ATOM 544 C ARG A 41 9.904 37.142 4.205 1.00 12.34 C ATOM 545 O ARG A 41 9.883 38.056 5.031 1.00 54.33 O ATOM 546 CB ARG A 41 7.459 36.822 3.782 1.00 43.31 C ATOM 547 CG ARG A 41 6.229 35.956 3.994 1.00 15.01 C ATOM 548 CD ARG A 41 4.947 36.743 3.766 1.00 64.24 C ATOM 549 NE ARG A 41 4.974 37.477 2.503 1.00 34.23 N ATOM 550 CZ ARG A 41 4.057 38.373 2.155 1.00 31.01 C ATOM 551 NH1 ARG A 41 3.047 38.645 2.971 1.00 64.34 N ATOM 552 NH2 ARG A 41 4.149 39.000 0.989 1.00 24.23 N ATOM 0 H ARG A 41 8.367 36.004 6.195 1.00 71.53 H new ATOM 0 HA ARG A 41 9.007 35.391 3.368 1.00 61.15 H new ATOM 0 HB2 ARG A 41 7.364 37.727 4.382 1.00 43.31 H new ATOM 0 HB3 ARG A 41 7.497 37.134 2.738 1.00 43.31 H new ATOM 0 HG2 ARG A 41 6.260 35.105 3.314 1.00 15.01 H new ATOM 0 HG3 ARG A 41 6.236 35.555 5.007 1.00 15.01 H new ATOM 0 HD2 ARG A 41 4.097 36.061 3.771 1.00 64.24 H new ATOM 0 HD3 ARG A 41 4.799 37.442 4.589 1.00 64.24 H new ATOM 0 HE ARG A 41 5.738 37.291 1.853 1.00 34.23 H new ATOM 0 HH11 ARG A 41 2.973 38.166 3.868 1.00 64.34 H new ATOM 0 HH12 ARG A 41 2.344 39.333 2.701 1.00 64.34 H new ATOM 0 HH21 ARG A 41 4.924 38.794 0.359 1.00 24.23 H new ATOM 0 HH22 ARG A 41 3.444 39.688 0.723 1.00 24.23 H new ATOM 566 N CYS A 42 10.890 36.979 3.331 1.00 5.42 N ATOM 567 CA CYS A 42 12.033 37.885 3.290 1.00 52.51 C ATOM 568 C CYS A 42 11.575 39.331 3.123 1.00 33.35 C ATOM 569 O CYS A 42 10.417 39.592 2.798 1.00 73.33 O ATOM 570 CB CYS A 42 12.974 37.501 2.147 1.00 11.23 C ATOM 571 SG CYS A 42 14.710 37.902 2.455 1.00 61.24 S ATOM 0 H CYS A 42 10.922 36.228 2.641 1.00 5.42 H new ATOM 0 HA CYS A 42 12.568 37.799 4.236 1.00 52.51 H new ATOM 0 HB2 CYS A 42 12.887 36.430 1.963 1.00 11.23 H new ATOM 0 HB3 CYS A 42 12.651 38.008 1.238 1.00 11.23 H new ATOM 0 HG CYS A 42 15.427 37.538 1.434 1.00 61.24 H new ATOM 577 N SER A 43 12.491 40.266 3.351 1.00 51.41 N ATOM 578 CA SER A 43 12.180 41.686 3.232 1.00 53.04 C ATOM 579 C SER A 43 11.492 41.982 1.902 1.00 31.52 C ATOM 580 O SER A 43 10.631 42.858 1.816 1.00 61.41 O ATOM 581 CB SER A 43 13.455 42.522 3.356 1.00 62.43 C ATOM 582 OG SER A 43 14.543 41.891 2.703 1.00 44.13 O ATOM 0 H SER A 43 13.455 40.066 3.619 1.00 51.41 H new ATOM 0 HA SER A 43 11.500 41.952 4.041 1.00 53.04 H new ATOM 0 HB2 SER A 43 13.290 43.509 2.924 1.00 62.43 H new ATOM 0 HB3 SER A 43 13.695 42.671 4.409 1.00 62.43 H new ATOM 0 HG SER A 43 15.346 42.445 2.795 1.00 44.13 H new ATOM 588 N LYS A 44 11.878 41.244 0.867 1.00 61.12 N ATOM 589 CA LYS A 44 11.300 41.424 -0.460 1.00 33.35 C ATOM 590 C LYS A 44 9.776 41.383 -0.399 1.00 1.23 C ATOM 591 O LYS A 44 9.096 42.020 -1.204 1.00 62.14 O ATOM 592 CB LYS A 44 11.812 40.341 -1.413 1.00 14.43 C ATOM 593 CG LYS A 44 13.311 40.399 -1.649 1.00 72.14 C ATOM 594 CD LYS A 44 13.701 41.625 -2.458 1.00 21.03 C ATOM 595 CE LYS A 44 15.198 41.887 -2.385 1.00 54.12 C ATOM 596 NZ LYS A 44 15.988 40.732 -2.894 1.00 42.55 N ATOM 0 H LYS A 44 12.589 40.515 0.921 1.00 61.12 H new ATOM 0 HA LYS A 44 11.606 42.402 -0.833 1.00 33.35 H new ATOM 0 HB2 LYS A 44 11.554 39.362 -1.010 1.00 14.43 H new ATOM 0 HB3 LYS A 44 11.298 40.437 -2.369 1.00 14.43 H new ATOM 0 HG2 LYS A 44 13.831 40.414 -0.691 1.00 72.14 H new ATOM 0 HG3 LYS A 44 13.633 39.499 -2.173 1.00 72.14 H new ATOM 0 HD2 LYS A 44 13.405 41.486 -3.498 1.00 21.03 H new ATOM 0 HD3 LYS A 44 13.160 42.495 -2.086 1.00 21.03 H new ATOM 0 HE2 LYS A 44 15.440 42.777 -2.966 1.00 54.12 H new ATOM 0 HE3 LYS A 44 15.481 42.094 -1.353 1.00 54.12 H new ATOM 0 HZ1 LYS A 44 16.994 40.992 -2.939 1.00 42.55 H new ATOM 0 HZ2 LYS A 44 15.869 39.921 -2.254 1.00 42.55 H new ATOM 0 HZ3 LYS A 44 15.654 40.475 -3.845 1.00 42.55 H new ATOM 610 N CYS A 45 9.247 40.633 0.561 1.00 32.21 N ATOM 611 CA CYS A 45 7.803 40.510 0.727 1.00 12.32 C ATOM 612 C CYS A 45 7.149 41.884 0.829 1.00 12.43 C ATOM 613 O CYS A 45 5.968 42.045 0.521 1.00 13.12 O ATOM 614 CB CYS A 45 7.480 39.685 1.973 1.00 21.44 C ATOM 615 SG CYS A 45 7.613 40.605 3.524 1.00 50.42 S ATOM 0 H CYS A 45 9.796 40.101 1.236 1.00 32.21 H new ATOM 0 HA CYS A 45 7.403 40.001 -0.150 1.00 12.32 H new ATOM 0 HB2 CYS A 45 6.468 39.291 1.882 1.00 21.44 H new ATOM 0 HB3 CYS A 45 8.153 38.828 2.013 1.00 21.44 H new ATOM 0 HG CYS A 45 8.852 40.616 3.917 1.00 50.42 H new ATOM 621 N ARG A 46 7.924 42.872 1.265 1.00 31.02 N ATOM 622 CA ARG A 46 7.419 44.232 1.411 1.00 61.01 C ATOM 623 C ARG A 46 6.682 44.676 0.151 1.00 45.43 C ATOM 624 O ARG A 46 5.704 45.420 0.220 1.00 52.30 O ATOM 625 CB ARG A 46 8.569 45.196 1.709 1.00 13.14 C ATOM 626 CG ARG A 46 9.117 45.071 3.121 1.00 4.23 C ATOM 627 CD ARG A 46 10.416 45.845 3.285 1.00 41.32 C ATOM 628 NE ARG A 46 10.214 47.286 3.162 1.00 55.42 N ATOM 629 CZ ARG A 46 11.201 48.174 3.205 1.00 21.31 C ATOM 630 NH1 ARG A 46 12.453 47.769 3.367 1.00 4.31 N ATOM 631 NH2 ARG A 46 10.937 49.469 3.086 1.00 60.42 N ATOM 0 H ARG A 46 8.904 42.756 1.523 1.00 31.02 H new ATOM 0 HA ARG A 46 6.717 44.245 2.245 1.00 61.01 H new ATOM 0 HB2 ARG A 46 9.376 45.017 0.998 1.00 13.14 H new ATOM 0 HB3 ARG A 46 8.225 46.218 1.551 1.00 13.14 H new ATOM 0 HG2 ARG A 46 8.379 45.441 3.833 1.00 4.23 H new ATOM 0 HG3 ARG A 46 9.286 44.020 3.355 1.00 4.23 H new ATOM 0 HD2 ARG A 46 10.850 45.622 4.259 1.00 41.32 H new ATOM 0 HD3 ARG A 46 11.133 45.514 2.533 1.00 41.32 H new ATOM 0 HE ARG A 46 9.262 47.630 3.036 1.00 55.42 H new ATOM 0 HH11 ARG A 46 12.659 46.774 3.459 1.00 4.31 H new ATOM 0 HH12 ARG A 46 13.210 48.452 3.400 1.00 4.31 H new ATOM 0 HH21 ARG A 46 9.975 49.784 2.961 1.00 60.42 H new ATOM 0 HH22 ARG A 46 11.696 50.149 3.119 1.00 60.42 H new ATOM 645 N LYS A 47 7.160 44.216 -1.001 1.00 33.03 N ATOM 646 CA LYS A 47 6.547 44.564 -2.277 1.00 44.43 C ATOM 647 C LYS A 47 5.337 43.680 -2.560 1.00 24.32 C ATOM 648 O LYS A 47 4.354 44.128 -3.148 1.00 12.43 O ATOM 649 CB LYS A 47 7.568 44.428 -3.410 1.00 13.02 C ATOM 650 CG LYS A 47 8.780 45.329 -3.248 1.00 55.45 C ATOM 651 CD LYS A 47 9.267 45.853 -4.589 1.00 0.52 C ATOM 652 CE LYS A 47 10.259 44.898 -5.234 1.00 30.44 C ATOM 653 NZ LYS A 47 9.583 43.914 -6.124 1.00 32.22 N ATOM 0 H LYS A 47 7.970 43.601 -1.076 1.00 33.03 H new ATOM 0 HA LYS A 47 6.212 45.600 -2.220 1.00 44.43 H new ATOM 0 HB2 LYS A 47 7.901 43.392 -3.465 1.00 13.02 H new ATOM 0 HB3 LYS A 47 7.080 44.657 -4.357 1.00 13.02 H new ATOM 0 HG2 LYS A 47 8.527 46.167 -2.599 1.00 55.45 H new ATOM 0 HG3 LYS A 47 9.582 44.777 -2.759 1.00 55.45 H new ATOM 0 HD2 LYS A 47 8.416 45.999 -5.254 1.00 0.52 H new ATOM 0 HD3 LYS A 47 9.735 46.828 -4.452 1.00 0.52 H new ATOM 0 HE2 LYS A 47 10.989 45.467 -5.810 1.00 30.44 H new ATOM 0 HE3 LYS A 47 10.809 44.367 -4.457 1.00 30.44 H new ATOM 0 HZ1 LYS A 47 10.293 43.281 -6.544 1.00 32.22 H new ATOM 0 HZ2 LYS A 47 8.905 43.354 -5.570 1.00 32.22 H new ATOM 0 HZ3 LYS A 47 9.079 44.419 -6.880 1.00 32.22 H new ATOM 667 N GLN A 48 5.417 42.423 -2.136 1.00 22.42 N ATOM 668 CA GLN A 48 4.327 41.476 -2.343 1.00 44.32 C ATOM 669 C GLN A 48 3.247 41.649 -1.281 1.00 21.35 C ATOM 670 O GLN A 48 2.245 40.934 -1.278 1.00 71.05 O ATOM 671 CB GLN A 48 4.858 40.042 -2.320 1.00 20.20 C ATOM 672 CG GLN A 48 5.069 39.449 -3.704 1.00 34.43 C ATOM 673 CD GLN A 48 4.824 37.953 -3.741 1.00 21.12 C ATOM 674 OE1 GLN A 48 4.421 37.353 -2.744 1.00 3.14 O ATOM 675 NE2 GLN A 48 5.067 37.342 -4.894 1.00 73.53 N ATOM 0 H GLN A 48 6.225 42.037 -1.647 1.00 22.42 H new ATOM 0 HA GLN A 48 3.885 41.676 -3.319 1.00 44.32 H new ATOM 0 HB2 GLN A 48 5.803 40.022 -1.777 1.00 20.20 H new ATOM 0 HB3 GLN A 48 4.160 39.414 -1.767 1.00 20.20 H new ATOM 0 HG2 GLN A 48 4.401 39.940 -4.411 1.00 34.43 H new ATOM 0 HG3 GLN A 48 6.088 39.655 -4.032 1.00 34.43 H new ATOM 0 HE21 GLN A 48 5.400 37.878 -5.695 1.00 73.53 H new ATOM 0 HE22 GLN A 48 4.921 36.336 -4.979 1.00 73.53 H new ATOM 684 N SER A 49 3.458 42.601 -0.378 1.00 44.40 N ATOM 685 CA SER A 49 2.504 42.865 0.693 1.00 65.11 C ATOM 686 C SER A 49 1.109 43.113 0.129 1.00 72.55 C ATOM 687 O SER A 49 0.105 42.771 0.753 1.00 5.32 O ATOM 688 CB SER A 49 2.954 44.071 1.520 1.00 40.24 C ATOM 689 OG SER A 49 2.274 44.120 2.762 1.00 50.01 O ATOM 0 H SER A 49 4.282 43.203 -0.367 1.00 44.40 H new ATOM 0 HA SER A 49 2.466 41.986 1.337 1.00 65.11 H new ATOM 0 HB2 SER A 49 4.029 44.017 1.692 1.00 40.24 H new ATOM 0 HB3 SER A 49 2.766 44.989 0.963 1.00 40.24 H new ATOM 0 HG SER A 49 2.580 44.899 3.272 1.00 50.01 H new ATOM 695 N ASN A 50 1.054 43.709 -1.058 1.00 25.00 N ATOM 696 CA ASN A 50 -0.218 44.004 -1.708 1.00 25.43 C ATOM 697 C ASN A 50 -1.092 42.756 -1.782 1.00 35.14 C ATOM 698 O ASN A 50 -2.317 42.836 -1.678 1.00 53.12 O ATOM 699 CB ASN A 50 0.021 44.557 -3.114 1.00 54.11 C ATOM 700 CG ASN A 50 -1.265 44.694 -3.907 1.00 21.01 C ATOM 701 OD1 ASN A 50 -1.329 44.316 -5.077 1.00 1.22 O ATOM 702 ND2 ASN A 50 -2.297 45.237 -3.271 1.00 62.14 N ATOM 0 H ASN A 50 1.876 43.997 -1.589 1.00 25.00 H new ATOM 0 HA ASN A 50 -0.737 44.755 -1.113 1.00 25.43 H new ATOM 0 HB2 ASN A 50 0.505 45.531 -3.041 1.00 54.11 H new ATOM 0 HB3 ASN A 50 0.706 43.899 -3.649 1.00 54.11 H new ATOM 0 HD21 ASN A 50 -3.188 45.355 -3.753 1.00 62.14 H new ATOM 0 HD22 ASN A 50 -2.198 45.536 -2.301 1.00 62.14 H new ATOM 709 N LEU A 51 -0.456 41.604 -1.960 1.00 71.35 N ATOM 710 CA LEU A 51 -1.176 40.338 -2.047 1.00 63.35 C ATOM 711 C LEU A 51 -0.270 39.170 -1.671 1.00 60.51 C ATOM 712 O LEU A 51 0.750 38.929 -2.317 1.00 25.13 O ATOM 713 CB LEU A 51 -1.725 40.137 -3.461 1.00 33.02 C ATOM 714 CG LEU A 51 -2.673 38.952 -3.651 1.00 22.15 C ATOM 715 CD1 LEU A 51 -4.114 39.378 -3.418 1.00 40.22 C ATOM 716 CD2 LEU A 51 -2.509 38.355 -5.041 1.00 3.13 C ATOM 0 H LEU A 51 0.557 41.520 -2.047 1.00 71.35 H new ATOM 0 HA LEU A 51 -2.007 40.372 -1.342 1.00 63.35 H new ATOM 0 HB2 LEU A 51 -2.248 41.046 -3.759 1.00 33.02 H new ATOM 0 HB3 LEU A 51 -0.883 40.016 -4.142 1.00 33.02 H new ATOM 0 HG LEU A 51 -2.419 38.187 -2.917 1.00 22.15 H new ATOM 0 HD11 LEU A 51 -4.774 38.522 -3.558 1.00 40.22 H new ATOM 0 HD12 LEU A 51 -4.222 39.757 -2.402 1.00 40.22 H new ATOM 0 HD13 LEU A 51 -4.381 40.161 -4.127 1.00 40.22 H new ATOM 0 HD21 LEU A 51 -3.191 37.513 -5.158 1.00 3.13 H new ATOM 0 HD22 LEU A 51 -2.735 39.113 -5.791 1.00 3.13 H new ATOM 0 HD23 LEU A 51 -1.483 38.011 -5.171 1.00 3.13 H new ATOM 728 N TYR A 52 -0.651 38.446 -0.624 1.00 70.25 N ATOM 729 CA TYR A 52 0.127 37.302 -0.162 1.00 13.51 C ATOM 730 C TYR A 52 -0.717 36.031 -0.169 1.00 4.10 C ATOM 731 O TYR A 52 -1.923 36.075 -0.409 1.00 3.44 O ATOM 732 CB TYR A 52 0.666 37.562 1.246 1.00 64.04 C ATOM 733 CG TYR A 52 -0.363 37.363 2.335 1.00 50.20 C ATOM 734 CD1 TYR A 52 -1.448 38.222 2.458 1.00 2.44 C ATOM 735 CD2 TYR A 52 -0.251 36.315 3.241 1.00 52.25 C ATOM 736 CE1 TYR A 52 -2.390 38.045 3.453 1.00 72.13 C ATOM 737 CE2 TYR A 52 -1.190 36.129 4.237 1.00 4.11 C ATOM 738 CZ TYR A 52 -2.257 36.997 4.339 1.00 21.24 C ATOM 739 OH TYR A 52 -3.194 36.816 5.330 1.00 33.34 O ATOM 0 H TYR A 52 -1.493 38.631 -0.079 1.00 70.25 H new ATOM 0 HA TYR A 52 0.965 37.164 -0.845 1.00 13.51 H new ATOM 0 HB2 TYR A 52 1.511 36.899 1.431 1.00 64.04 H new ATOM 0 HB3 TYR A 52 1.045 38.583 1.298 1.00 64.04 H new ATOM 0 HD1 TYR A 52 -1.557 39.042 1.764 1.00 2.44 H new ATOM 0 HD2 TYR A 52 0.584 35.635 3.165 1.00 52.25 H new ATOM 0 HE1 TYR A 52 -3.226 38.724 3.536 1.00 72.13 H new ATOM 0 HE2 TYR A 52 -1.089 35.308 4.932 1.00 4.11 H new ATOM 0 HH TYR A 52 -2.954 36.033 5.868 1.00 33.34 H new ATOM 749 N GLU A 53 -0.072 34.899 0.096 1.00 4.44 N ATOM 750 CA GLU A 53 -0.762 33.615 0.121 1.00 41.24 C ATOM 751 C GLU A 53 0.016 32.595 0.947 1.00 14.14 C ATOM 752 O GLU A 53 1.222 32.424 0.767 1.00 11.12 O ATOM 753 CB GLU A 53 -0.959 33.090 -1.303 1.00 51.21 C ATOM 754 CG GLU A 53 -1.465 31.659 -1.359 1.00 74.32 C ATOM 755 CD GLU A 53 -1.602 31.144 -2.779 1.00 32.52 C ATOM 756 OE1 GLU A 53 -0.562 30.958 -3.445 1.00 21.34 O ATOM 757 OE2 GLU A 53 -2.748 30.927 -3.224 1.00 74.50 O ATOM 0 H GLU A 53 0.927 34.845 0.296 1.00 4.44 H new ATOM 0 HA GLU A 53 -1.737 33.764 0.585 1.00 41.24 H new ATOM 0 HB2 GLU A 53 -1.664 33.737 -1.825 1.00 51.21 H new ATOM 0 HB3 GLU A 53 -0.012 33.153 -1.839 1.00 51.21 H new ATOM 0 HG2 GLU A 53 -0.781 31.014 -0.807 1.00 74.32 H new ATOM 0 HG3 GLU A 53 -2.432 31.600 -0.860 1.00 74.32 H new ATOM 764 N CYS A 54 -0.683 31.921 1.854 1.00 54.22 N ATOM 765 CA CYS A 54 -0.059 30.919 2.710 1.00 34.31 C ATOM 766 C CYS A 54 0.282 29.662 1.916 1.00 2.01 C ATOM 767 O CYS A 54 -0.595 28.945 1.434 1.00 21.12 O ATOM 768 CB CYS A 54 -0.985 30.565 3.875 1.00 74.23 C ATOM 769 SG CYS A 54 -0.249 29.446 5.090 1.00 52.33 S ATOM 0 H CYS A 54 -1.682 32.050 2.015 1.00 54.22 H new ATOM 0 HA CYS A 54 0.866 31.340 3.105 1.00 34.31 H new ATOM 0 HB2 CYS A 54 -1.285 31.484 4.378 1.00 74.23 H new ATOM 0 HB3 CYS A 54 -1.892 30.108 3.478 1.00 74.23 H new ATOM 0 HG CYS A 54 -0.900 29.535 6.212 1.00 52.33 H new ATOM 775 N PRO A 55 1.588 29.388 1.774 1.00 15.11 N ATOM 776 CA PRO A 55 2.075 28.218 1.038 1.00 43.12 C ATOM 777 C PRO A 55 1.780 26.911 1.765 1.00 32.11 C ATOM 778 O PRO A 55 1.921 25.828 1.197 1.00 71.20 O ATOM 779 CB PRO A 55 3.585 28.455 0.956 1.00 64.11 C ATOM 780 CG PRO A 55 3.896 29.326 2.123 1.00 1.45 C ATOM 781 CD PRO A 55 2.688 30.199 2.322 1.00 52.10 C ATOM 0 HA PRO A 55 1.591 28.117 0.066 1.00 43.12 H new ATOM 0 HB2 PRO A 55 4.136 27.516 1.005 1.00 64.11 H new ATOM 0 HB3 PRO A 55 3.860 28.937 0.018 1.00 64.11 H new ATOM 0 HG2 PRO A 55 4.097 28.729 3.013 1.00 1.45 H new ATOM 0 HG3 PRO A 55 4.785 29.927 1.935 1.00 1.45 H new ATOM 0 HD2 PRO A 55 2.530 30.432 3.375 1.00 52.10 H new ATOM 0 HD3 PRO A 55 2.788 31.149 1.797 1.00 52.10 H new ATOM 789 N ASP A 56 1.369 27.019 3.024 1.00 40.43 N ATOM 790 CA ASP A 56 1.052 25.845 3.828 1.00 11.35 C ATOM 791 C ASP A 56 -0.345 25.325 3.503 1.00 22.24 C ATOM 792 O ASP A 56 -0.510 24.175 3.095 1.00 62.31 O ATOM 793 CB ASP A 56 1.151 26.179 5.318 1.00 44.23 C ATOM 794 CG ASP A 56 1.748 25.044 6.127 1.00 53.31 C ATOM 795 OD1 ASP A 56 2.968 25.081 6.392 1.00 13.54 O ATOM 796 OD2 ASP A 56 0.994 24.119 6.496 1.00 43.44 O ATOM 0 H ASP A 56 1.248 27.908 3.509 1.00 40.43 H new ATOM 0 HA ASP A 56 1.775 25.065 3.589 1.00 11.35 H new ATOM 0 HB2 ASP A 56 1.761 27.073 5.447 1.00 44.23 H new ATOM 0 HB3 ASP A 56 0.158 26.412 5.702 1.00 44.23 H new ATOM 801 N CYS A 57 -1.346 26.178 3.688 1.00 31.35 N ATOM 802 CA CYS A 57 -2.729 25.803 3.417 1.00 55.43 C ATOM 803 C CYS A 57 -3.220 26.438 2.119 1.00 24.13 C ATOM 804 O CYS A 57 -4.422 26.565 1.894 1.00 73.52 O ATOM 805 CB CYS A 57 -3.631 26.225 4.578 1.00 53.44 C ATOM 806 SG CYS A 57 -3.656 28.007 4.883 1.00 2.42 S ATOM 0 H CYS A 57 -1.226 27.133 4.024 1.00 31.35 H new ATOM 0 HA CYS A 57 -2.771 24.719 3.309 1.00 55.43 H new ATOM 0 HB2 CYS A 57 -4.647 25.888 4.376 1.00 53.44 H new ATOM 0 HB3 CYS A 57 -3.301 25.717 5.484 1.00 53.44 H new ATOM 0 HG CYS A 57 -2.437 28.450 4.968 1.00 2.42 H new ATOM 812 N GLY A 58 -2.278 26.837 1.269 1.00 14.11 N ATOM 813 CA GLY A 58 -2.634 27.456 0.005 1.00 31.35 C ATOM 814 C GLY A 58 -3.749 28.472 0.151 1.00 1.42 C ATOM 815 O GLY A 58 -4.680 28.503 -0.653 1.00 75.32 O ATOM 0 H GLY A 58 -1.276 26.743 1.433 1.00 14.11 H new ATOM 0 HA2 GLY A 58 -1.755 27.944 -0.417 1.00 31.35 H new ATOM 0 HA3 GLY A 58 -2.940 26.684 -0.701 1.00 31.35 H new ATOM 819 N PHE A 59 -3.656 29.307 1.181 1.00 25.12 N ATOM 820 CA PHE A 59 -4.666 30.328 1.432 1.00 43.45 C ATOM 821 C PHE A 59 -4.243 31.669 0.837 1.00 61.41 C ATOM 822 O PHE A 59 -3.341 32.330 1.349 1.00 25.15 O ATOM 823 CB PHE A 59 -4.908 30.478 2.935 1.00 52.42 C ATOM 824 CG PHE A 59 -5.797 31.637 3.286 1.00 50.21 C ATOM 825 CD1 PHE A 59 -7.158 31.586 3.031 1.00 60.44 C ATOM 826 CD2 PHE A 59 -5.272 32.778 3.872 1.00 62.34 C ATOM 827 CE1 PHE A 59 -7.978 32.651 3.352 1.00 22.20 C ATOM 828 CE2 PHE A 59 -6.087 33.846 4.196 1.00 61.03 C ATOM 829 CZ PHE A 59 -7.442 33.782 3.936 1.00 21.24 C ATOM 0 H PHE A 59 -2.891 29.296 1.855 1.00 25.12 H new ATOM 0 HA PHE A 59 -5.592 30.013 0.952 1.00 43.45 H new ATOM 0 HB2 PHE A 59 -5.354 29.560 3.317 1.00 52.42 H new ATOM 0 HB3 PHE A 59 -3.949 30.600 3.439 1.00 52.42 H new ATOM 0 HD1 PHE A 59 -7.583 30.704 2.576 1.00 60.44 H new ATOM 0 HD2 PHE A 59 -4.213 32.833 4.078 1.00 62.34 H new ATOM 0 HE1 PHE A 59 -9.037 32.599 3.146 1.00 22.20 H new ATOM 0 HE2 PHE A 59 -5.665 34.729 4.652 1.00 61.03 H new ATOM 0 HZ PHE A 59 -8.081 34.615 4.189 1.00 21.24 H new ATOM 839 N MET A 60 -4.902 32.062 -0.248 1.00 62.12 N ATOM 840 CA MET A 60 -4.595 33.323 -0.913 1.00 11.22 C ATOM 841 C MET A 60 -5.311 34.485 -0.231 1.00 72.13 C ATOM 842 O MET A 60 -6.478 34.374 0.143 1.00 23.34 O ATOM 843 CB MET A 60 -4.995 33.257 -2.388 1.00 42.31 C ATOM 844 CG MET A 60 -4.043 34.003 -3.309 1.00 52.34 C ATOM 845 SD MET A 60 -4.877 35.256 -4.303 1.00 33.41 S ATOM 846 CE MET A 60 -5.539 34.250 -5.629 1.00 43.24 C ATOM 0 H MET A 60 -5.652 31.526 -0.685 1.00 62.12 H new ATOM 0 HA MET A 60 -3.520 33.490 -0.843 1.00 11.22 H new ATOM 0 HB2 MET A 60 -5.043 32.213 -2.697 1.00 42.31 H new ATOM 0 HB3 MET A 60 -5.997 33.670 -2.503 1.00 42.31 H new ATOM 0 HG2 MET A 60 -3.264 34.477 -2.713 1.00 52.34 H new ATOM 0 HG3 MET A 60 -3.549 33.290 -3.969 1.00 52.34 H new ATOM 0 HE1 MET A 60 -6.084 34.883 -6.329 1.00 43.24 H new ATOM 0 HE2 MET A 60 -4.722 33.752 -6.151 1.00 43.24 H new ATOM 0 HE3 MET A 60 -6.214 33.501 -5.215 1.00 43.24 H new ATOM 856 N GLY A 61 -4.604 35.600 -0.074 1.00 20.14 N ATOM 857 CA GLY A 61 -5.189 36.765 0.563 1.00 2.41 C ATOM 858 C GLY A 61 -4.544 38.060 0.108 1.00 73.44 C ATOM 859 O GLY A 61 -3.618 38.065 -0.704 1.00 33.12 O ATOM 0 H GLY A 61 -3.637 35.717 -0.377 1.00 20.14 H new ATOM 0 HA2 GLY A 61 -6.256 36.798 0.344 1.00 2.41 H new ATOM 0 HA3 GLY A 61 -5.088 36.673 1.644 1.00 2.41 H new ATOM 863 N PRO A 62 -5.039 39.189 0.635 1.00 51.31 N ATOM 864 CA PRO A 62 -4.521 40.517 0.291 1.00 22.30 C ATOM 865 C PRO A 62 -3.121 40.754 0.847 1.00 0.31 C ATOM 866 O PRO A 62 -2.683 41.897 0.986 1.00 73.55 O ATOM 867 CB PRO A 62 -5.525 41.470 0.945 1.00 63.35 C ATOM 868 CG PRO A 62 -6.112 40.689 2.069 1.00 23.41 C ATOM 869 CD PRO A 62 -6.142 39.258 1.608 1.00 73.31 C ATOM 0 HA PRO A 62 -4.426 40.651 -0.786 1.00 22.30 H new ATOM 0 HB2 PRO A 62 -5.035 42.375 1.305 1.00 63.35 H new ATOM 0 HB3 PRO A 62 -6.293 41.783 0.237 1.00 63.35 H new ATOM 0 HG2 PRO A 62 -5.512 40.795 2.973 1.00 23.41 H new ATOM 0 HG3 PRO A 62 -7.115 41.043 2.308 1.00 23.41 H new ATOM 0 HD2 PRO A 62 -5.991 38.566 2.436 1.00 73.31 H new ATOM 0 HD3 PRO A 62 -7.098 39.003 1.150 1.00 73.31 H new TER 877 PRO A 62