USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=19 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 159:sc= 0.576 USER MOD Set 1.2: A 35 CYS SG : rot -99:sc= 0.455 USER MOD Set 1.3: A 54 CYS SG : rot 15:sc= 0.912 USER MOD Set 1.4: A 57 CYS SG : rot -47:sc= 0.705 USER MOD Set 2.1: A 15 CYS SG : rot -170:sc= -0.172 USER MOD Set 2.2: A 45 CYS SG : rot 96:sc= -1.18 USER MOD Set 3.1: A 13 HIS : no HE2:sc= 0.251 K(o=1.4,f=-2.7) USER MOD Set 3.2: A 40 SER OG : rot 104:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -173:sc= 0 (180deg=-0.0495) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 42 CYS SG : rot -170:sc= -1.78! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.046) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.016) 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 12.805 6.425 -6.837 1.00 73.15 N ATOM 2 CA GLY A 1 12.037 6.780 -5.658 1.00 73.53 C ATOM 3 C GLY A 1 12.031 8.273 -5.398 1.00 34.23 C ATOM 4 O GLY A 1 10.985 8.918 -5.469 1.00 21.20 O ATOM 0 H1 GLY A 1 12.778 5.394 -6.971 1.00 73.15 H new ATOM 0 H2 GLY A 1 12.397 6.894 -7.671 1.00 73.15 H new ATOM 0 H3 GLY A 1 13.791 6.733 -6.715 1.00 73.15 H new ATOM 0 HA2 GLY A 1 11.011 6.431 -5.778 1.00 73.53 H new ATOM 0 HA3 GLY A 1 12.450 6.265 -4.791 1.00 73.53 H new ATOM 8 N ALA A 2 13.201 8.823 -5.093 1.00 42.43 N ATOM 9 CA ALA A 2 13.327 10.250 -4.821 1.00 73.13 C ATOM 10 C ALA A 2 12.465 10.660 -3.632 1.00 23.14 C ATOM 11 O ALA A 2 11.734 11.648 -3.694 1.00 62.21 O ATOM 12 CB ALA A 2 12.947 11.058 -6.054 1.00 31.54 C ATOM 0 H ALA A 2 14.076 8.302 -5.028 1.00 42.43 H new ATOM 0 HA ALA A 2 14.368 10.457 -4.571 1.00 73.13 H new ATOM 0 HB1 ALA A 2 13.046 12.122 -5.837 1.00 31.54 H new ATOM 0 HB2 ALA A 2 13.607 10.794 -6.880 1.00 31.54 H new ATOM 0 HB3 ALA A 2 11.916 10.838 -6.329 1.00 31.54 H new ATOM 18 N MET A 3 12.556 9.894 -2.549 1.00 44.13 N ATOM 19 CA MET A 3 11.785 10.179 -1.345 1.00 0.01 C ATOM 20 C MET A 3 12.481 11.234 -0.490 1.00 60.43 C ATOM 21 O MET A 3 13.700 11.206 -0.324 1.00 54.31 O ATOM 22 CB MET A 3 11.580 8.900 -0.531 1.00 14.23 C ATOM 23 CG MET A 3 10.604 7.924 -1.168 1.00 11.21 C ATOM 24 SD MET A 3 9.937 6.737 0.014 1.00 0.33 S ATOM 25 CE MET A 3 9.144 5.570 -1.089 1.00 14.23 C ATOM 0 H MET A 3 13.156 9.072 -2.481 1.00 44.13 H new ATOM 0 HA MET A 3 10.813 10.567 -1.649 1.00 0.01 H new ATOM 0 HB2 MET A 3 12.542 8.405 -0.399 1.00 14.23 H new ATOM 0 HB3 MET A 3 11.219 9.165 0.463 1.00 14.23 H new ATOM 0 HG2 MET A 3 9.783 8.480 -1.621 1.00 11.21 H new ATOM 0 HG3 MET A 3 11.107 7.387 -1.972 1.00 11.21 H new ATOM 0 HE1 MET A 3 8.683 4.773 -0.505 1.00 14.23 H new ATOM 0 HE2 MET A 3 8.378 6.082 -1.671 1.00 14.23 H new ATOM 0 HE3 MET A 3 9.887 5.143 -1.763 1.00 14.23 H new ATOM 35 N GLY A 4 11.698 12.163 0.050 1.00 70.24 N ATOM 36 CA GLY A 4 12.257 13.213 0.880 1.00 45.31 C ATOM 37 C GLY A 4 11.189 14.072 1.527 1.00 31.21 C ATOM 38 O GLY A 4 10.406 13.589 2.345 1.00 22.22 O ATOM 0 H GLY A 4 10.686 12.207 -0.073 1.00 70.24 H new ATOM 0 HA2 GLY A 4 12.879 12.766 1.656 1.00 45.31 H new ATOM 0 HA3 GLY A 4 12.908 13.843 0.274 1.00 45.31 H new ATOM 42 N SER A 5 11.157 15.349 1.162 1.00 54.44 N ATOM 43 CA SER A 5 10.180 16.279 1.717 1.00 74.35 C ATOM 44 C SER A 5 8.763 15.889 1.304 1.00 24.42 C ATOM 45 O SER A 5 7.830 15.969 2.101 1.00 14.13 O ATOM 46 CB SER A 5 10.482 17.706 1.255 1.00 23.33 C ATOM 47 OG SER A 5 10.451 17.802 -0.158 1.00 43.21 O ATOM 0 H SER A 5 11.796 15.764 0.484 1.00 54.44 H new ATOM 0 HA SER A 5 10.250 16.234 2.804 1.00 74.35 H new ATOM 0 HB2 SER A 5 9.753 18.393 1.685 1.00 23.33 H new ATOM 0 HB3 SER A 5 11.462 18.011 1.622 1.00 23.33 H new ATOM 0 HG SER A 5 10.645 18.724 -0.428 1.00 43.21 H new ATOM 53 N GLU A 6 8.614 15.466 0.053 1.00 75.33 N ATOM 54 CA GLU A 6 7.311 15.064 -0.466 1.00 64.22 C ATOM 55 C GLU A 6 6.741 13.900 0.339 1.00 75.11 C ATOM 56 O GLU A 6 5.533 13.821 0.566 1.00 3.40 O ATOM 57 CB GLU A 6 7.424 14.671 -1.941 1.00 4.32 C ATOM 58 CG GLU A 6 8.559 13.703 -2.228 1.00 23.44 C ATOM 59 CD GLU A 6 9.576 14.267 -3.201 1.00 71.20 C ATOM 60 OE1 GLU A 6 10.735 14.482 -2.789 1.00 1.03 O ATOM 61 OE2 GLU A 6 9.213 14.493 -4.374 1.00 51.40 O ATOM 0 H GLU A 6 9.378 15.393 -0.619 1.00 75.33 H new ATOM 0 HA GLU A 6 6.634 15.913 -0.374 1.00 64.22 H new ATOM 0 HB2 GLU A 6 6.484 14.221 -2.261 1.00 4.32 H new ATOM 0 HB3 GLU A 6 7.566 15.572 -2.538 1.00 4.32 H new ATOM 0 HG2 GLU A 6 9.059 13.448 -1.294 1.00 23.44 H new ATOM 0 HG3 GLU A 6 8.149 12.778 -2.633 1.00 23.44 H new ATOM 68 N SER A 7 7.618 12.998 0.767 1.00 34.32 N ATOM 69 CA SER A 7 7.202 11.835 1.543 1.00 15.31 C ATOM 70 C SER A 7 6.770 12.246 2.948 1.00 71.14 C ATOM 71 O SER A 7 5.717 11.830 3.431 1.00 44.32 O ATOM 72 CB SER A 7 8.340 10.816 1.624 1.00 15.05 C ATOM 73 OG SER A 7 8.203 9.990 2.767 1.00 21.54 O ATOM 0 H SER A 7 8.621 13.050 0.590 1.00 34.32 H new ATOM 0 HA SER A 7 6.350 11.378 1.039 1.00 15.31 H new ATOM 0 HB2 SER A 7 8.346 10.200 0.725 1.00 15.05 H new ATOM 0 HB3 SER A 7 9.297 11.337 1.660 1.00 15.05 H new ATOM 0 HG SER A 7 8.941 9.346 2.796 1.00 21.54 H new ATOM 79 N GLU A 8 7.592 13.065 3.597 1.00 73.31 N ATOM 80 CA GLU A 8 7.296 13.531 4.946 1.00 14.14 C ATOM 81 C GLU A 8 8.038 14.830 5.248 1.00 32.23 C ATOM 82 O GLU A 8 9.068 15.122 4.642 1.00 2.33 O ATOM 83 CB GLU A 8 7.676 12.463 5.974 1.00 73.11 C ATOM 84 CG GLU A 8 9.173 12.234 6.088 1.00 5.15 C ATOM 85 CD GLU A 8 9.513 10.942 6.806 1.00 1.21 C ATOM 86 OE1 GLU A 8 9.581 10.957 8.053 1.00 13.11 O ATOM 87 OE2 GLU A 8 9.711 9.917 6.121 1.00 5.05 O ATOM 0 H GLU A 8 8.467 13.419 3.210 1.00 73.31 H new ATOM 0 HA GLU A 8 6.225 13.721 5.010 1.00 14.14 H new ATOM 0 HB2 GLU A 8 7.286 12.754 6.949 1.00 73.11 H new ATOM 0 HB3 GLU A 8 7.193 11.524 5.705 1.00 73.11 H new ATOM 0 HG2 GLU A 8 9.611 12.217 5.090 1.00 5.15 H new ATOM 0 HG3 GLU A 8 9.625 13.071 6.620 1.00 5.15 H new ATOM 94 N GLN A 9 7.505 15.604 6.188 1.00 24.25 N ATOM 95 CA GLN A 9 8.116 16.872 6.570 1.00 64.41 C ATOM 96 C GLN A 9 7.779 17.226 8.014 1.00 32.24 C ATOM 97 O GLN A 9 6.865 16.652 8.607 1.00 54.41 O ATOM 98 CB GLN A 9 7.649 17.989 5.636 1.00 75.23 C ATOM 99 CG GLN A 9 6.147 17.993 5.396 1.00 24.11 C ATOM 100 CD GLN A 9 5.643 19.324 4.873 1.00 24.41 C ATOM 101 OE1 GLN A 9 6.193 19.878 3.921 1.00 70.34 O ATOM 102 NE2 GLN A 9 4.592 19.844 5.495 1.00 51.43 N ATOM 0 H GLN A 9 6.652 15.376 6.699 1.00 24.25 H new ATOM 0 HA GLN A 9 9.197 16.765 6.485 1.00 64.41 H new ATOM 0 HB2 GLN A 9 7.944 18.950 6.057 1.00 75.23 H new ATOM 0 HB3 GLN A 9 8.161 17.889 4.679 1.00 75.23 H new ATOM 0 HG2 GLN A 9 5.895 17.208 4.683 1.00 24.11 H new ATOM 0 HG3 GLN A 9 5.633 17.755 6.327 1.00 24.11 H new ATOM 0 HE21 GLN A 9 4.168 19.350 6.280 1.00 51.43 H new ATOM 0 HE22 GLN A 9 4.208 20.738 5.188 1.00 51.43 H new ATOM 111 N ARG A 10 8.523 18.174 8.575 1.00 33.54 N ATOM 112 CA ARG A 10 8.303 18.603 9.951 1.00 21.22 C ATOM 113 C ARG A 10 8.062 20.108 10.019 1.00 11.01 C ATOM 114 O ARG A 10 6.931 20.558 10.205 1.00 11.51 O ATOM 115 CB ARG A 10 9.503 18.228 10.823 1.00 43.13 C ATOM 116 CG ARG A 10 9.250 17.032 11.726 1.00 1.43 C ATOM 117 CD ARG A 10 9.030 15.762 10.920 1.00 21.23 C ATOM 118 NE ARG A 10 9.659 14.601 11.545 1.00 5.41 N ATOM 119 CZ ARG A 10 10.969 14.382 11.535 1.00 25.23 C ATOM 120 NH1 ARG A 10 11.784 15.239 10.937 1.00 44.34 N ATOM 121 NH2 ARG A 10 11.467 13.303 12.126 1.00 71.31 N ATOM 0 H ARG A 10 9.283 18.659 8.098 1.00 33.54 H new ATOM 0 HA ARG A 10 7.416 18.093 10.327 1.00 21.22 H new ATOM 0 HB2 ARG A 10 10.356 18.012 10.179 1.00 43.13 H new ATOM 0 HB3 ARG A 10 9.776 19.085 11.438 1.00 43.13 H new ATOM 0 HG2 ARG A 10 10.098 16.896 12.397 1.00 1.43 H new ATOM 0 HG3 ARG A 10 8.377 17.224 12.350 1.00 1.43 H new ATOM 0 HD2 ARG A 10 7.960 15.581 10.813 1.00 21.23 H new ATOM 0 HD3 ARG A 10 9.432 15.896 9.916 1.00 21.23 H new ATOM 0 HE ARG A 10 9.060 13.922 12.014 1.00 5.41 H new ATOM 0 HH11 ARG A 10 11.406 16.070 10.482 1.00 44.34 H new ATOM 0 HH12 ARG A 10 12.789 15.068 10.931 1.00 44.34 H new ATOM 0 HH21 ARG A 10 10.844 12.641 12.588 1.00 71.31 H new ATOM 0 HH22 ARG A 10 12.473 13.136 12.118 1.00 71.31 H new ATOM 135 N HIS A 11 9.133 20.881 9.868 1.00 54.23 N ATOM 136 CA HIS A 11 9.037 22.336 9.912 1.00 44.02 C ATOM 137 C HIS A 11 9.459 22.949 8.580 1.00 71.45 C ATOM 138 O HIS A 11 10.284 23.861 8.538 1.00 22.52 O ATOM 139 CB HIS A 11 9.908 22.891 11.040 1.00 55.23 C ATOM 140 CG HIS A 11 9.424 22.519 12.408 1.00 41.34 C ATOM 141 ND1 HIS A 11 10.234 22.541 13.524 1.00 72.24 N ATOM 142 CD2 HIS A 11 8.205 22.116 12.837 1.00 42.43 C ATOM 143 CE1 HIS A 11 9.534 22.166 14.580 1.00 63.54 C ATOM 144 NE2 HIS A 11 8.300 21.903 14.190 1.00 71.21 N ATOM 0 H HIS A 11 10.076 20.525 9.714 1.00 54.23 H new ATOM 0 HA HIS A 11 7.997 22.601 10.101 1.00 44.02 H new ATOM 0 HB2 HIS A 11 10.928 22.528 10.913 1.00 55.23 H new ATOM 0 HB3 HIS A 11 9.944 23.977 10.959 1.00 55.23 H new ATOM 0 HD2 HIS A 11 7.322 21.986 12.228 1.00 42.43 H new ATOM 0 HE1 HIS A 11 9.907 22.088 15.590 1.00 63.54 H new ATOM 0 HE2 HIS A 11 7.541 21.592 14.796 1.00 71.21 H new ATOM 152 N ALA A 12 8.887 22.441 7.493 1.00 70.52 N ATOM 153 CA ALA A 12 9.203 22.938 6.160 1.00 55.53 C ATOM 154 C ALA A 12 8.759 24.388 5.996 1.00 54.11 C ATOM 155 O ALA A 12 7.594 24.662 5.704 1.00 0.21 O ATOM 156 CB ALA A 12 8.550 22.062 5.101 1.00 64.12 C ATOM 0 H ALA A 12 8.202 21.685 7.510 1.00 70.52 H new ATOM 0 HA ALA A 12 10.285 22.899 6.032 1.00 55.53 H new ATOM 0 HB1 ALA A 12 8.795 22.445 4.110 1.00 64.12 H new ATOM 0 HB2 ALA A 12 8.918 21.041 5.196 1.00 64.12 H new ATOM 0 HB3 ALA A 12 7.469 22.072 5.237 1.00 64.12 H new ATOM 162 N HIS A 13 9.694 25.314 6.186 1.00 34.31 N ATOM 163 CA HIS A 13 9.398 26.736 6.059 1.00 0.43 C ATOM 164 C HIS A 13 9.922 27.284 4.736 1.00 45.45 C ATOM 165 O HIS A 13 11.132 27.393 4.534 1.00 33.22 O ATOM 166 CB HIS A 13 10.012 27.512 7.225 1.00 41.21 C ATOM 167 CG HIS A 13 9.071 27.715 8.372 1.00 75.40 C ATOM 168 ND1 HIS A 13 9.350 28.543 9.438 1.00 25.24 N ATOM 169 CD2 HIS A 13 7.846 27.192 8.615 1.00 72.11 C ATOM 170 CE1 HIS A 13 8.340 28.519 10.288 1.00 15.34 C ATOM 171 NE2 HIS A 13 7.413 27.707 9.812 1.00 42.42 N ATOM 0 H HIS A 13 10.662 25.105 6.428 1.00 34.31 H new ATOM 0 HA HIS A 13 8.315 26.860 6.080 1.00 0.43 H new ATOM 0 HB2 HIS A 13 10.895 26.980 7.580 1.00 41.21 H new ATOM 0 HB3 HIS A 13 10.349 28.484 6.866 1.00 41.21 H new ATOM 0 HD1 HIS A 13 10.204 29.089 9.552 1.00 25.24 H new ATOM 0 HD2 HIS A 13 7.309 26.499 7.985 1.00 72.11 H new ATOM 0 HE1 HIS A 13 8.282 29.070 11.215 1.00 15.34 H new ATOM 179 N GLN A 14 9.005 27.627 3.837 1.00 13.03 N ATOM 180 CA GLN A 14 9.376 28.162 2.533 1.00 52.13 C ATOM 181 C GLN A 14 8.619 29.453 2.239 1.00 44.43 C ATOM 182 O GLN A 14 7.660 29.794 2.932 1.00 71.32 O ATOM 183 CB GLN A 14 9.095 27.132 1.437 1.00 3.20 C ATOM 184 CG GLN A 14 10.276 26.222 1.141 1.00 45.34 C ATOM 185 CD GLN A 14 9.852 24.806 0.804 1.00 43.44 C ATOM 186 OE1 GLN A 14 8.662 24.514 0.686 1.00 31.14 O ATOM 187 NE2 GLN A 14 10.826 23.918 0.646 1.00 45.04 N ATOM 0 H GLN A 14 8.000 27.544 3.988 1.00 13.03 H new ATOM 0 HA GLN A 14 10.443 28.383 2.549 1.00 52.13 H new ATOM 0 HB2 GLN A 14 8.242 26.522 1.733 1.00 3.20 H new ATOM 0 HB3 GLN A 14 8.811 27.654 0.523 1.00 3.20 H new ATOM 0 HG2 GLN A 14 10.847 26.634 0.309 1.00 45.34 H new ATOM 0 HG3 GLN A 14 10.940 26.202 2.005 1.00 45.34 H new ATOM 0 HE21 GLN A 14 11.799 24.204 0.753 1.00 45.04 H new ATOM 0 HE22 GLN A 14 10.601 22.950 0.417 1.00 45.04 H new ATOM 196 N CYS A 15 9.058 30.168 1.208 1.00 14.24 N ATOM 197 CA CYS A 15 8.422 31.424 0.823 1.00 23.54 C ATOM 198 C CYS A 15 7.019 31.178 0.280 1.00 55.21 C ATOM 199 O CYS A 15 6.775 30.194 -0.419 1.00 11.24 O ATOM 200 CB CYS A 15 9.269 32.147 -0.225 1.00 11.13 C ATOM 201 SG CYS A 15 8.838 33.889 -0.447 1.00 71.15 S ATOM 0 H CYS A 15 9.851 29.900 0.625 1.00 14.24 H new ATOM 0 HA CYS A 15 8.343 32.051 1.711 1.00 23.54 H new ATOM 0 HB2 CYS A 15 10.319 32.077 0.060 1.00 11.13 H new ATOM 0 HB3 CYS A 15 9.163 31.633 -1.180 1.00 11.13 H new ATOM 0 HG CYS A 15 9.456 34.360 -1.489 1.00 71.15 H new ATOM 207 N VAL A 16 6.097 32.079 0.607 1.00 62.03 N ATOM 208 CA VAL A 16 4.717 31.960 0.152 1.00 10.41 C ATOM 209 C VAL A 16 4.595 32.300 -1.329 1.00 43.02 C ATOM 210 O VAL A 16 3.701 31.808 -2.018 1.00 3.31 O ATOM 211 CB VAL A 16 3.780 32.880 0.957 1.00 11.31 C ATOM 212 CG1 VAL A 16 3.895 32.589 2.446 1.00 52.14 C ATOM 213 CG2 VAL A 16 4.089 34.341 0.666 1.00 54.12 C ATOM 0 H VAL A 16 6.281 32.899 1.185 1.00 62.03 H new ATOM 0 HA VAL A 16 4.420 30.923 0.309 1.00 10.41 H new ATOM 0 HB VAL A 16 2.753 32.681 0.651 1.00 11.31 H new ATOM 0 HG11 VAL A 16 3.226 33.249 2.998 1.00 52.14 H new ATOM 0 HG12 VAL A 16 3.620 31.551 2.636 1.00 52.14 H new ATOM 0 HG13 VAL A 16 4.921 32.758 2.772 1.00 52.14 H new ATOM 0 HG21 VAL A 16 3.418 34.977 1.243 1.00 54.12 H new ATOM 0 HG22 VAL A 16 5.121 34.557 0.943 1.00 54.12 H new ATOM 0 HG23 VAL A 16 3.950 34.537 -0.397 1.00 54.12 H new ATOM 223 N SER A 17 5.501 33.144 -1.814 1.00 31.24 N ATOM 224 CA SER A 17 5.493 33.552 -3.213 1.00 44.44 C ATOM 225 C SER A 17 6.088 32.463 -4.101 1.00 33.35 C ATOM 226 O SER A 17 5.412 31.924 -4.978 1.00 51.00 O ATOM 227 CB SER A 17 6.277 34.854 -3.391 1.00 1.21 C ATOM 228 OG SER A 17 7.029 34.837 -4.592 1.00 24.14 O ATOM 0 H SER A 17 6.249 33.558 -1.258 1.00 31.24 H new ATOM 0 HA SER A 17 4.457 33.715 -3.512 1.00 44.44 H new ATOM 0 HB2 SER A 17 5.588 35.698 -3.402 1.00 1.21 H new ATOM 0 HB3 SER A 17 6.945 34.999 -2.542 1.00 1.21 H new ATOM 0 HG SER A 17 7.519 35.681 -4.683 1.00 24.14 H new ATOM 234 N CYS A 18 7.356 32.144 -3.865 1.00 75.44 N ATOM 235 CA CYS A 18 8.043 31.119 -4.643 1.00 71.40 C ATOM 236 C CYS A 18 8.271 29.864 -3.807 1.00 70.50 C ATOM 237 O CYS A 18 7.578 28.861 -3.972 1.00 74.21 O ATOM 238 CB CYS A 18 9.380 31.652 -5.160 1.00 11.04 C ATOM 239 SG CYS A 18 9.276 32.469 -6.769 1.00 45.03 S ATOM 0 H CYS A 18 7.929 32.580 -3.142 1.00 75.44 H new ATOM 0 HA CYS A 18 7.412 30.858 -5.492 1.00 71.40 H new ATOM 0 HB2 CYS A 18 9.784 32.356 -4.432 1.00 11.04 H new ATOM 0 HB3 CYS A 18 10.086 30.825 -5.229 1.00 11.04 H new ATOM 0 HG CYS A 18 10.456 32.887 -7.120 1.00 45.03 H new ATOM 245 N GLY A 19 9.250 29.926 -2.909 1.00 52.32 N ATOM 246 CA GLY A 19 9.553 28.788 -2.062 1.00 24.10 C ATOM 247 C GLY A 19 11.007 28.756 -1.633 1.00 71.41 C ATOM 248 O GLY A 19 11.619 27.689 -1.571 1.00 60.01 O ATOM 0 H GLY A 19 9.838 30.745 -2.753 1.00 52.32 H new ATOM 0 HA2 GLY A 19 8.917 28.818 -1.177 1.00 24.10 H new ATOM 0 HA3 GLY A 19 9.314 27.868 -2.596 1.00 24.10 H new ATOM 252 N ILE A 20 11.561 29.927 -1.338 1.00 21.41 N ATOM 253 CA ILE A 20 12.952 30.028 -0.913 1.00 71.34 C ATOM 254 C ILE A 20 13.220 29.151 0.306 1.00 53.45 C ATOM 255 O ILE A 20 12.369 29.017 1.184 1.00 25.34 O ATOM 256 CB ILE A 20 13.335 31.482 -0.580 1.00 74.24 C ATOM 257 CG1 ILE A 20 13.150 32.375 -1.809 1.00 32.11 C ATOM 258 CG2 ILE A 20 14.770 31.550 -0.080 1.00 53.40 C ATOM 259 CD1 ILE A 20 11.912 33.241 -1.745 1.00 55.42 C ATOM 0 H ILE A 20 11.068 30.819 -1.385 1.00 21.41 H new ATOM 0 HA ILE A 20 13.562 29.682 -1.747 1.00 71.34 H new ATOM 0 HB ILE A 20 12.678 31.844 0.211 1.00 74.24 H new ATOM 0 HG12 ILE A 20 14.026 33.015 -1.919 1.00 32.11 H new ATOM 0 HG13 ILE A 20 13.100 31.748 -2.699 1.00 32.11 H new ATOM 0 HG21 ILE A 20 15.026 32.584 0.151 1.00 53.40 H new ATOM 0 HG22 ILE A 20 14.871 30.941 0.819 1.00 53.40 H new ATOM 0 HG23 ILE A 20 15.442 31.173 -0.851 1.00 53.40 H new ATOM 0 HD11 ILE A 20 11.845 33.847 -2.648 1.00 55.42 H new ATOM 0 HD12 ILE A 20 11.028 32.607 -1.667 1.00 55.42 H new ATOM 0 HD13 ILE A 20 11.969 33.894 -0.874 1.00 55.42 H new ATOM 271 N ASN A 21 14.408 28.559 0.352 1.00 64.11 N ATOM 272 CA ASN A 21 14.790 27.696 1.464 1.00 15.12 C ATOM 273 C ASN A 21 15.174 28.523 2.687 1.00 2.22 C ATOM 274 O ASN A 21 16.304 28.446 3.171 1.00 32.51 O ATOM 275 CB ASN A 21 15.955 26.792 1.059 1.00 22.41 C ATOM 276 CG ASN A 21 15.634 25.945 -0.157 1.00 62.32 C ATOM 277 OD1 ASN A 21 14.896 24.964 -0.067 1.00 74.12 O ATOM 278 ND2 ASN A 21 16.190 26.321 -1.303 1.00 71.22 N ATOM 0 H ASN A 21 15.123 28.661 -0.368 1.00 64.11 H new ATOM 0 HA ASN A 21 13.931 27.076 1.722 1.00 15.12 H new ATOM 0 HB2 ASN A 21 16.832 27.405 0.850 1.00 22.41 H new ATOM 0 HB3 ASN A 21 16.213 26.141 1.894 1.00 22.41 H new ATOM 0 HD21 ASN A 21 16.011 25.789 -2.155 1.00 71.22 H new ATOM 0 HD22 ASN A 21 16.796 27.141 -1.331 1.00 71.22 H new ATOM 285 N ILE A 22 14.227 29.314 3.182 1.00 65.54 N ATOM 286 CA ILE A 22 14.467 30.153 4.349 1.00 53.32 C ATOM 287 C ILE A 22 13.919 29.504 5.615 1.00 74.11 C ATOM 288 O ILE A 22 13.423 30.187 6.510 1.00 11.14 O ATOM 289 CB ILE A 22 13.828 31.545 4.181 1.00 24.14 C ATOM 290 CG1 ILE A 22 12.326 31.413 3.926 1.00 15.32 C ATOM 291 CG2 ILE A 22 14.500 32.302 3.046 1.00 53.44 C ATOM 292 CD1 ILE A 22 11.603 32.741 3.875 1.00 13.13 C ATOM 0 H ILE A 22 13.287 29.391 2.793 1.00 65.54 H new ATOM 0 HA ILE A 22 15.547 30.266 4.440 1.00 53.32 H new ATOM 0 HB ILE A 22 13.972 32.109 5.103 1.00 24.14 H new ATOM 0 HG12 ILE A 22 12.170 30.887 2.984 1.00 15.32 H new ATOM 0 HG13 ILE A 22 11.885 30.798 4.711 1.00 15.32 H new ATOM 0 HG21 ILE A 22 14.038 33.283 2.939 1.00 53.44 H new ATOM 0 HG22 ILE A 22 15.561 32.422 3.267 1.00 53.44 H new ATOM 0 HG23 ILE A 22 14.384 31.743 2.117 1.00 53.44 H new ATOM 0 HD11 ILE A 22 10.542 32.571 3.691 1.00 13.13 H new ATOM 0 HD12 ILE A 22 11.728 33.260 4.825 1.00 13.13 H new ATOM 0 HD13 ILE A 22 12.017 33.350 3.072 1.00 13.13 H new ATOM 304 N ALA A 23 14.013 28.180 5.683 1.00 60.02 N ATOM 305 CA ALA A 23 13.530 27.438 6.841 1.00 43.10 C ATOM 306 C ALA A 23 14.525 27.513 7.994 1.00 10.04 C ATOM 307 O ALA A 23 15.640 27.002 7.900 1.00 71.23 O ATOM 308 CB ALA A 23 13.263 25.988 6.465 1.00 3.21 C ATOM 0 H ALA A 23 14.419 27.599 4.950 1.00 60.02 H new ATOM 0 HA ALA A 23 12.596 27.894 7.171 1.00 43.10 H new ATOM 0 HB1 ALA A 23 12.903 25.446 7.339 1.00 3.21 H new ATOM 0 HB2 ALA A 23 12.510 25.949 5.678 1.00 3.21 H new ATOM 0 HB3 ALA A 23 14.185 25.529 6.108 1.00 3.21 H new ATOM 314 N GLY A 24 14.114 28.155 9.084 1.00 73.20 N ATOM 315 CA GLY A 24 14.981 28.285 10.240 1.00 44.41 C ATOM 316 C GLY A 24 15.780 29.573 10.222 1.00 4.44 C ATOM 317 O GLY A 24 16.210 30.059 11.268 1.00 23.02 O ATOM 0 H GLY A 24 13.196 28.587 9.186 1.00 73.20 H new ATOM 0 HA2 GLY A 24 14.379 28.247 11.148 1.00 44.41 H new ATOM 0 HA3 GLY A 24 15.665 27.437 10.275 1.00 44.41 H new ATOM 321 N MET A 25 15.981 30.127 9.031 1.00 3.21 N ATOM 322 CA MET A 25 16.735 31.367 8.882 1.00 31.23 C ATOM 323 C MET A 25 15.886 32.570 9.279 1.00 53.33 C ATOM 324 O MET A 25 14.779 32.418 9.796 1.00 61.42 O ATOM 325 CB MET A 25 17.221 31.523 7.440 1.00 14.40 C ATOM 326 CG MET A 25 17.901 30.281 6.890 1.00 63.34 C ATOM 327 SD MET A 25 19.323 29.773 7.875 1.00 2.44 S ATOM 328 CE MET A 25 20.520 31.022 7.411 1.00 43.04 C ATOM 0 H MET A 25 15.633 29.737 8.155 1.00 3.21 H new ATOM 0 HA MET A 25 17.599 31.320 9.545 1.00 31.23 H new ATOM 0 HB2 MET A 25 16.372 31.774 6.804 1.00 14.40 H new ATOM 0 HB3 MET A 25 17.916 32.361 7.388 1.00 14.40 H new ATOM 0 HG2 MET A 25 17.180 29.464 6.851 1.00 63.34 H new ATOM 0 HG3 MET A 25 18.223 30.471 5.866 1.00 63.34 H new ATOM 0 HE1 MET A 25 21.490 30.773 7.841 1.00 43.04 H new ATOM 0 HE2 MET A 25 20.603 31.060 6.325 1.00 43.04 H new ATOM 0 HE3 MET A 25 20.196 31.993 7.785 1.00 43.04 H new ATOM 338 N SER A 26 16.411 33.766 9.033 1.00 0.33 N ATOM 339 CA SER A 26 15.702 34.996 9.369 1.00 64.13 C ATOM 340 C SER A 26 14.903 35.506 8.173 1.00 20.54 C ATOM 341 O SER A 26 15.406 35.552 7.051 1.00 14.10 O ATOM 342 CB SER A 26 16.690 36.069 9.831 1.00 62.10 C ATOM 343 OG SER A 26 16.177 37.369 9.598 1.00 71.03 O ATOM 0 H SER A 26 17.324 33.910 8.602 1.00 0.33 H new ATOM 0 HA SER A 26 15.009 34.777 10.181 1.00 64.13 H new ATOM 0 HB2 SER A 26 16.899 35.942 10.893 1.00 62.10 H new ATOM 0 HB3 SER A 26 17.636 35.948 9.303 1.00 62.10 H new ATOM 0 HG SER A 26 16.826 38.036 9.903 1.00 71.03 H new ATOM 349 N ALA A 27 13.655 35.887 8.424 1.00 73.34 N ATOM 350 CA ALA A 27 12.785 36.395 7.370 1.00 64.13 C ATOM 351 C ALA A 27 11.437 36.830 7.933 1.00 53.22 C ATOM 352 O ALA A 27 11.129 36.578 9.097 1.00 3.24 O ATOM 353 CB ALA A 27 12.593 35.340 6.290 1.00 41.42 C ATOM 0 H ALA A 27 13.224 35.854 9.348 1.00 73.34 H new ATOM 0 HA ALA A 27 13.263 37.269 6.928 1.00 64.13 H new ATOM 0 HB1 ALA A 27 11.941 35.733 5.509 1.00 41.42 H new ATOM 0 HB2 ALA A 27 13.560 35.080 5.859 1.00 41.42 H new ATOM 0 HB3 ALA A 27 12.140 34.450 6.727 1.00 41.42 H new ATOM 359 N ALA A 28 10.636 37.486 7.099 1.00 62.54 N ATOM 360 CA ALA A 28 9.320 37.955 7.513 1.00 31.44 C ATOM 361 C ALA A 28 8.436 36.792 7.954 1.00 44.35 C ATOM 362 O ALA A 28 7.824 36.116 7.126 1.00 23.55 O ATOM 363 CB ALA A 28 8.655 38.727 6.384 1.00 51.31 C ATOM 0 H ALA A 28 10.876 37.704 6.132 1.00 62.54 H new ATOM 0 HA ALA A 28 9.451 38.621 8.366 1.00 31.44 H new ATOM 0 HB1 ALA A 28 7.673 39.071 6.708 1.00 51.31 H new ATOM 0 HB2 ALA A 28 9.271 39.586 6.118 1.00 51.31 H new ATOM 0 HB3 ALA A 28 8.544 38.078 5.515 1.00 51.31 H new ATOM 369 N THR A 29 8.374 36.564 9.262 1.00 43.31 N ATOM 370 CA THR A 29 7.567 35.483 9.812 1.00 63.52 C ATOM 371 C THR A 29 6.392 36.027 10.615 1.00 53.11 C ATOM 372 O THR A 29 6.539 36.979 11.382 1.00 33.32 O ATOM 373 CB THR A 29 8.407 34.558 10.714 1.00 14.31 C ATOM 374 OG1 THR A 29 9.802 34.770 10.469 1.00 35.35 O ATOM 375 CG2 THR A 29 8.059 33.098 10.466 1.00 15.32 C ATOM 0 H THR A 29 8.874 37.114 9.960 1.00 43.31 H new ATOM 0 HA THR A 29 7.190 34.909 8.966 1.00 63.52 H new ATOM 0 HB THR A 29 8.181 34.797 11.753 1.00 14.31 H new ATOM 0 HG1 THR A 29 10.329 34.180 11.047 1.00 35.35 H new ATOM 0 HG21 THR A 29 8.665 32.464 11.114 1.00 15.32 H new ATOM 0 HG22 THR A 29 7.003 32.934 10.682 1.00 15.32 H new ATOM 0 HG23 THR A 29 8.259 32.848 9.424 1.00 15.32 H new ATOM 383 N PHE A 30 5.225 35.418 10.434 1.00 33.52 N ATOM 384 CA PHE A 30 4.023 35.842 11.142 1.00 33.05 C ATOM 385 C PHE A 30 3.037 34.686 11.282 1.00 72.20 C ATOM 386 O PHE A 30 3.245 33.606 10.727 1.00 11.52 O ATOM 387 CB PHE A 30 3.358 37.008 10.409 1.00 52.34 C ATOM 388 CG PHE A 30 2.707 36.610 9.115 1.00 62.22 C ATOM 389 CD1 PHE A 30 3.469 36.143 8.056 1.00 61.01 C ATOM 390 CD2 PHE A 30 1.334 36.702 8.957 1.00 13.44 C ATOM 391 CE1 PHE A 30 2.874 35.775 6.864 1.00 34.00 C ATOM 392 CE2 PHE A 30 0.733 36.336 7.768 1.00 33.52 C ATOM 393 CZ PHE A 30 1.504 35.872 6.720 1.00 54.42 C ATOM 0 H PHE A 30 5.086 34.629 9.803 1.00 33.52 H new ATOM 0 HA PHE A 30 4.316 36.169 12.140 1.00 33.05 H new ATOM 0 HB2 PHE A 30 2.608 37.456 11.061 1.00 52.34 H new ATOM 0 HB3 PHE A 30 4.106 37.775 10.209 1.00 52.34 H new ATOM 0 HD1 PHE A 30 4.541 36.066 8.163 1.00 61.01 H new ATOM 0 HD2 PHE A 30 0.726 37.064 9.773 1.00 13.44 H new ATOM 0 HE1 PHE A 30 3.479 35.412 6.047 1.00 34.00 H new ATOM 0 HE2 PHE A 30 -0.339 36.413 7.658 1.00 33.52 H new ATOM 0 HZ PHE A 30 1.036 35.586 5.790 1.00 54.42 H new ATOM 403 N LYS A 31 1.962 34.919 12.028 1.00 42.32 N ATOM 404 CA LYS A 31 0.942 33.899 12.241 1.00 2.54 C ATOM 405 C LYS A 31 -0.336 34.242 11.483 1.00 33.51 C ATOM 406 O LYS A 31 -0.893 35.328 11.645 1.00 53.01 O ATOM 407 CB LYS A 31 0.639 33.757 13.735 1.00 64.44 C ATOM 408 CG LYS A 31 -0.569 32.886 14.030 1.00 75.45 C ATOM 409 CD LYS A 31 -0.861 32.822 15.519 1.00 1.04 C ATOM 410 CE LYS A 31 0.023 31.800 16.217 1.00 24.12 C ATOM 411 NZ LYS A 31 0.186 32.104 17.666 1.00 42.22 N ATOM 0 H LYS A 31 1.775 35.806 12.495 1.00 42.32 H new ATOM 0 HA LYS A 31 1.325 32.952 11.862 1.00 2.54 H new ATOM 0 HB2 LYS A 31 1.511 33.336 14.236 1.00 64.44 H new ATOM 0 HB3 LYS A 31 0.475 34.747 14.160 1.00 64.44 H new ATOM 0 HG2 LYS A 31 -1.439 33.279 13.504 1.00 75.45 H new ATOM 0 HG3 LYS A 31 -0.395 31.880 13.649 1.00 75.45 H new ATOM 0 HD2 LYS A 31 -0.704 33.805 15.964 1.00 1.04 H new ATOM 0 HD3 LYS A 31 -1.909 32.565 15.675 1.00 1.04 H new ATOM 0 HE2 LYS A 31 -0.410 30.806 16.101 1.00 24.12 H new ATOM 0 HE3 LYS A 31 1.002 31.779 15.738 1.00 24.12 H new ATOM 0 HZ1 LYS A 31 0.795 31.384 18.105 1.00 42.22 H new ATOM 0 HZ2 LYS A 31 0.622 33.042 17.777 1.00 42.22 H new ATOM 0 HZ3 LYS A 31 -0.745 32.099 18.129 1.00 42.22 H new ATOM 425 N CYS A 32 -0.796 33.308 10.657 1.00 15.34 N ATOM 426 CA CYS A 32 -2.010 33.511 9.875 1.00 54.24 C ATOM 427 C CYS A 32 -3.232 33.614 10.782 1.00 2.23 C ATOM 428 O CYS A 32 -3.503 32.736 11.601 1.00 32.31 O ATOM 429 CB CYS A 32 -2.196 32.367 8.877 1.00 32.22 C ATOM 430 SG CYS A 32 -3.449 32.685 7.613 1.00 12.41 S ATOM 0 H CYS A 32 -0.347 32.404 10.512 1.00 15.34 H new ATOM 0 HA CYS A 32 -1.907 34.448 9.328 1.00 54.24 H new ATOM 0 HB2 CYS A 32 -1.243 32.169 8.387 1.00 32.22 H new ATOM 0 HB3 CYS A 32 -2.468 31.464 9.423 1.00 32.22 H new ATOM 0 HG CYS A 32 -3.235 31.916 6.587 1.00 12.41 H new ATOM 436 N PRO A 33 -3.987 34.713 10.637 1.00 45.43 N ATOM 437 CA PRO A 33 -5.191 34.958 11.436 1.00 41.23 C ATOM 438 C PRO A 33 -6.329 34.010 11.074 1.00 20.14 C ATOM 439 O PRO A 33 -7.366 33.989 11.737 1.00 14.00 O ATOM 440 CB PRO A 33 -5.564 36.400 11.082 1.00 1.24 C ATOM 441 CG PRO A 33 -4.982 36.621 9.729 1.00 55.03 C ATOM 442 CD PRO A 33 -3.723 35.802 9.680 1.00 24.34 C ATOM 0 HA PRO A 33 -5.014 34.798 12.500 1.00 41.23 H new ATOM 0 HB2 PRO A 33 -6.645 36.539 11.075 1.00 1.24 H new ATOM 0 HB3 PRO A 33 -5.157 37.104 11.808 1.00 1.24 H new ATOM 0 HG2 PRO A 33 -5.679 36.312 8.950 1.00 55.03 H new ATOM 0 HG3 PRO A 33 -4.767 37.677 9.565 1.00 55.03 H new ATOM 0 HD2 PRO A 33 -3.532 35.419 8.678 1.00 24.34 H new ATOM 0 HD3 PRO A 33 -2.851 36.388 9.969 1.00 24.34 H new ATOM 450 N ASP A 34 -6.128 33.226 10.021 1.00 41.44 N ATOM 451 CA ASP A 34 -7.137 32.274 9.572 1.00 12.12 C ATOM 452 C ASP A 34 -6.964 30.929 10.271 1.00 43.12 C ATOM 453 O ASP A 34 -7.901 30.407 10.875 1.00 33.02 O ATOM 454 CB ASP A 34 -7.057 32.089 8.056 1.00 2.40 C ATOM 455 CG ASP A 34 -8.366 31.609 7.461 1.00 21.11 C ATOM 456 OD1 ASP A 34 -9.304 31.332 8.238 1.00 43.24 O ATOM 457 OD2 ASP A 34 -8.452 31.509 6.219 1.00 33.31 O ATOM 0 H ASP A 34 -5.275 33.231 9.462 1.00 41.44 H new ATOM 0 HA ASP A 34 -8.118 32.674 9.829 1.00 12.12 H new ATOM 0 HB2 ASP A 34 -6.775 33.034 7.592 1.00 2.40 H new ATOM 0 HB3 ASP A 34 -6.270 31.372 7.822 1.00 2.40 H new ATOM 462 N CYS A 35 -5.760 30.374 10.183 1.00 74.41 N ATOM 463 CA CYS A 35 -5.464 29.088 10.805 1.00 35.11 C ATOM 464 C CYS A 35 -4.473 29.254 11.952 1.00 10.40 C ATOM 465 O CYS A 35 -4.649 28.681 13.026 1.00 1.44 O ATOM 466 CB CYS A 35 -4.905 28.113 9.768 1.00 24.13 C ATOM 467 SG CYS A 35 -3.602 28.811 8.726 1.00 31.14 S ATOM 0 H CYS A 35 -4.974 30.794 9.687 1.00 74.41 H new ATOM 0 HA CYS A 35 -6.393 28.685 11.208 1.00 35.11 H new ATOM 0 HB2 CYS A 35 -4.513 27.236 10.284 1.00 24.13 H new ATOM 0 HB3 CYS A 35 -5.720 27.770 9.131 1.00 24.13 H new ATOM 0 HG CYS A 35 -4.109 29.181 7.588 1.00 31.14 H new ATOM 473 N GLY A 36 -3.428 30.042 11.715 1.00 14.31 N ATOM 474 CA GLY A 36 -2.423 30.269 12.737 1.00 70.42 C ATOM 475 C GLY A 36 -1.151 29.485 12.482 1.00 43.12 C ATOM 476 O GLY A 36 -0.370 29.242 13.401 1.00 31.45 O ATOM 0 H GLY A 36 -3.260 30.527 10.834 1.00 14.31 H new ATOM 0 HA2 GLY A 36 -2.188 31.332 12.782 1.00 70.42 H new ATOM 0 HA3 GLY A 36 -2.829 29.991 13.710 1.00 70.42 H new ATOM 480 N GLN A 37 -0.943 29.088 11.230 1.00 4.54 N ATOM 481 CA GLN A 37 0.243 28.326 10.859 1.00 61.34 C ATOM 482 C GLN A 37 1.430 29.251 10.610 1.00 32.10 C ATOM 483 O GLN A 37 1.353 30.167 9.792 1.00 64.42 O ATOM 484 CB GLN A 37 -0.035 27.487 9.610 1.00 30.21 C ATOM 485 CG GLN A 37 -1.230 26.559 9.755 1.00 72.44 C ATOM 486 CD GLN A 37 -0.900 25.299 10.530 1.00 31.51 C ATOM 487 OE1 GLN A 37 -0.675 24.238 9.947 1.00 65.13 O ATOM 488 NE2 GLN A 37 -0.870 25.408 11.853 1.00 3.21 N ATOM 0 H GLN A 37 -1.580 29.281 10.457 1.00 4.54 H new ATOM 0 HA GLN A 37 0.491 27.662 11.687 1.00 61.34 H new ATOM 0 HB2 GLN A 37 -0.204 28.154 8.764 1.00 30.21 H new ATOM 0 HB3 GLN A 37 0.849 26.894 9.377 1.00 30.21 H new ATOM 0 HG2 GLN A 37 -2.038 27.090 10.259 1.00 72.44 H new ATOM 0 HG3 GLN A 37 -1.596 26.287 8.765 1.00 72.44 H new ATOM 0 HE21 GLN A 37 -1.063 26.307 12.295 1.00 3.21 H new ATOM 0 HE22 GLN A 37 -0.654 24.593 12.427 1.00 3.21 H new ATOM 497 N GLU A 38 2.525 29.005 11.322 1.00 22.21 N ATOM 498 CA GLU A 38 3.727 29.818 11.179 1.00 63.44 C ATOM 499 C GLU A 38 4.132 29.936 9.712 1.00 24.31 C ATOM 500 O GLU A 38 4.527 28.952 9.085 1.00 31.02 O ATOM 501 CB GLU A 38 4.877 29.216 11.990 1.00 74.54 C ATOM 502 CG GLU A 38 6.023 30.183 12.232 1.00 52.21 C ATOM 503 CD GLU A 38 6.884 29.783 13.414 1.00 62.11 C ATOM 504 OE1 GLU A 38 6.524 28.810 14.109 1.00 61.02 O ATOM 505 OE2 GLU A 38 7.919 30.443 13.644 1.00 41.34 O ATOM 0 H GLU A 38 2.605 28.250 12.003 1.00 22.21 H new ATOM 0 HA GLU A 38 3.507 30.816 11.559 1.00 63.44 H new ATOM 0 HB2 GLU A 38 4.493 28.874 12.951 1.00 74.54 H new ATOM 0 HB3 GLU A 38 5.258 28.338 11.468 1.00 74.54 H new ATOM 0 HG2 GLU A 38 6.643 30.237 11.337 1.00 52.21 H new ATOM 0 HG3 GLU A 38 5.621 31.182 12.402 1.00 52.21 H new ATOM 512 N ILE A 39 4.031 31.145 9.172 1.00 1.51 N ATOM 513 CA ILE A 39 4.387 31.393 7.780 1.00 21.54 C ATOM 514 C ILE A 39 5.753 32.062 7.673 1.00 61.22 C ATOM 515 O ILE A 39 6.045 33.019 8.390 1.00 60.23 O ATOM 516 CB ILE A 39 3.338 32.276 7.079 1.00 4.13 C ATOM 517 CG1 ILE A 39 1.933 31.928 7.575 1.00 42.40 C ATOM 518 CG2 ILE A 39 3.430 32.110 5.570 1.00 52.02 C ATOM 519 CD1 ILE A 39 0.839 32.719 6.893 1.00 50.31 C ATOM 0 H ILE A 39 3.705 31.969 9.677 1.00 1.51 H new ATOM 0 HA ILE A 39 4.421 30.422 7.285 1.00 21.54 H new ATOM 0 HB ILE A 39 3.540 33.319 7.323 1.00 4.13 H new ATOM 0 HG12 ILE A 39 1.754 30.864 7.417 1.00 42.40 H new ATOM 0 HG13 ILE A 39 1.882 32.104 8.649 1.00 42.40 H new ATOM 0 HG21 ILE A 39 2.682 32.740 5.088 1.00 52.02 H new ATOM 0 HG22 ILE A 39 4.424 32.403 5.232 1.00 52.02 H new ATOM 0 HG23 ILE A 39 3.250 31.068 5.307 1.00 52.02 H new ATOM 0 HD11 ILE A 39 -0.130 32.421 7.294 1.00 50.31 H new ATOM 0 HD12 ILE A 39 0.994 33.783 7.072 1.00 50.31 H new ATOM 0 HD13 ILE A 39 0.864 32.524 5.821 1.00 50.31 H new ATOM 531 N SER A 40 6.586 31.553 6.771 1.00 61.52 N ATOM 532 CA SER A 40 7.923 32.100 6.570 1.00 32.40 C ATOM 533 C SER A 40 8.046 32.740 5.191 1.00 41.31 C ATOM 534 O SER A 40 7.974 32.058 4.169 1.00 72.02 O ATOM 535 CB SER A 40 8.976 31.001 6.731 1.00 53.34 C ATOM 536 OG SER A 40 9.487 30.974 8.052 1.00 42.41 O ATOM 0 H SER A 40 6.359 30.763 6.168 1.00 61.52 H new ATOM 0 HA SER A 40 8.092 32.868 7.324 1.00 32.40 H new ATOM 0 HB2 SER A 40 8.537 30.034 6.488 1.00 53.34 H new ATOM 0 HB3 SER A 40 9.790 31.167 6.026 1.00 53.34 H new ATOM 0 HG SER A 40 9.095 30.219 8.539 1.00 42.41 H new ATOM 542 N ARG A 41 8.232 34.056 5.171 1.00 25.03 N ATOM 543 CA ARG A 41 8.365 34.790 3.919 1.00 54.33 C ATOM 544 C ARG A 41 9.751 35.416 3.799 1.00 10.42 C ATOM 545 O ARG A 41 10.243 36.043 4.739 1.00 60.14 O ATOM 546 CB ARG A 41 7.292 35.877 3.825 1.00 44.44 C ATOM 547 CG ARG A 41 5.893 35.334 3.588 1.00 32.45 C ATOM 548 CD ARG A 41 4.828 36.330 4.021 1.00 60.52 C ATOM 549 NE ARG A 41 5.000 37.629 3.376 1.00 33.32 N ATOM 550 CZ ARG A 41 4.027 38.525 3.259 1.00 54.21 C ATOM 551 NH1 ARG A 41 2.819 38.265 3.741 1.00 61.34 N ATOM 552 NH2 ARG A 41 4.260 39.685 2.659 1.00 5.50 N ATOM 0 H ARG A 41 8.294 34.635 6.008 1.00 25.03 H new ATOM 0 HA ARG A 41 8.232 34.085 3.098 1.00 54.33 H new ATOM 0 HB2 ARG A 41 7.295 36.459 4.747 1.00 44.44 H new ATOM 0 HB3 ARG A 41 7.549 36.560 3.016 1.00 44.44 H new ATOM 0 HG2 ARG A 41 5.766 35.101 2.531 1.00 32.45 H new ATOM 0 HG3 ARG A 41 5.766 34.401 4.138 1.00 32.45 H new ATOM 0 HD2 ARG A 41 3.842 35.934 3.781 1.00 60.52 H new ATOM 0 HD3 ARG A 41 4.866 36.455 5.103 1.00 60.52 H new ATOM 0 HE ARG A 41 5.917 37.861 2.995 1.00 33.32 H new ATOM 0 HH11 ARG A 41 2.635 37.375 4.203 1.00 61.34 H new ATOM 0 HH12 ARG A 41 2.074 38.956 3.649 1.00 61.34 H new ATOM 0 HH21 ARG A 41 5.187 39.889 2.287 1.00 5.50 H new ATOM 0 HH22 ARG A 41 3.512 40.372 2.570 1.00 5.50 H new ATOM 566 N CYS A 42 10.375 35.242 2.640 1.00 50.33 N ATOM 567 CA CYS A 42 11.705 35.789 2.398 1.00 44.13 C ATOM 568 C CYS A 42 11.644 37.300 2.195 1.00 31.52 C ATOM 569 O CYS A 42 10.577 37.859 1.945 1.00 53.42 O ATOM 570 CB CYS A 42 12.338 35.124 1.175 1.00 63.34 C ATOM 571 SG CYS A 42 14.146 35.125 1.186 1.00 3.14 S ATOM 0 H CYS A 42 9.981 34.726 1.853 1.00 50.33 H new ATOM 0 HA CYS A 42 12.320 35.583 3.274 1.00 44.13 H new ATOM 0 HB2 CYS A 42 11.986 34.094 1.112 1.00 63.34 H new ATOM 0 HB3 CYS A 42 11.991 35.635 0.277 1.00 63.34 H new ATOM 0 HG CYS A 42 14.587 34.735 0.027 1.00 3.14 H new ATOM 577 N SER A 43 12.796 37.954 2.307 1.00 34.30 N ATOM 578 CA SER A 43 12.872 39.401 2.142 1.00 70.52 C ATOM 579 C SER A 43 12.189 39.836 0.849 1.00 11.51 C ATOM 580 O SER A 43 11.445 40.817 0.826 1.00 53.00 O ATOM 581 CB SER A 43 14.332 39.858 2.140 1.00 13.51 C ATOM 582 OG SER A 43 14.993 39.459 3.328 1.00 60.31 O ATOM 0 H SER A 43 13.689 37.505 2.511 1.00 34.30 H new ATOM 0 HA SER A 43 12.354 39.866 2.980 1.00 70.52 H new ATOM 0 HB2 SER A 43 14.846 39.438 1.275 1.00 13.51 H new ATOM 0 HB3 SER A 43 14.377 40.943 2.042 1.00 13.51 H new ATOM 0 HG SER A 43 15.925 39.762 3.301 1.00 60.31 H new ATOM 588 N LYS A 44 12.447 39.100 -0.226 1.00 44.45 N ATOM 589 CA LYS A 44 11.858 39.408 -1.524 1.00 61.33 C ATOM 590 C LYS A 44 10.342 39.535 -1.417 1.00 11.42 C ATOM 591 O LYS A 44 9.728 40.350 -2.107 1.00 13.13 O ATOM 592 CB LYS A 44 12.218 38.322 -2.541 1.00 4.20 C ATOM 593 CG LYS A 44 13.704 38.242 -2.844 1.00 45.03 C ATOM 594 CD LYS A 44 14.210 39.518 -3.497 1.00 30.30 C ATOM 595 CE LYS A 44 15.648 39.370 -3.969 1.00 43.11 C ATOM 596 NZ LYS A 44 16.001 40.387 -4.998 1.00 65.11 N ATOM 0 H LYS A 44 13.061 38.285 -0.224 1.00 44.45 H new ATOM 0 HA LYS A 44 12.263 40.362 -1.861 1.00 61.33 H new ATOM 0 HB2 LYS A 44 11.880 37.357 -2.164 1.00 4.20 H new ATOM 0 HB3 LYS A 44 11.676 38.510 -3.468 1.00 4.20 H new ATOM 0 HG2 LYS A 44 14.255 38.061 -1.921 1.00 45.03 H new ATOM 0 HG3 LYS A 44 13.897 37.394 -3.502 1.00 45.03 H new ATOM 0 HD2 LYS A 44 13.572 39.772 -4.344 1.00 30.30 H new ATOM 0 HD3 LYS A 44 14.142 40.343 -2.788 1.00 30.30 H new ATOM 0 HE2 LYS A 44 16.322 39.466 -3.117 1.00 43.11 H new ATOM 0 HE3 LYS A 44 15.794 38.371 -4.380 1.00 43.11 H new ATOM 0 HZ1 LYS A 44 16.989 40.253 -5.294 1.00 65.11 H new ATOM 0 HZ2 LYS A 44 15.375 40.279 -5.822 1.00 65.11 H new ATOM 0 HZ3 LYS A 44 15.886 41.340 -4.598 1.00 65.11 H new ATOM 610 N CYS A 45 9.745 38.727 -0.548 1.00 0.43 N ATOM 611 CA CYS A 45 8.300 38.751 -0.350 1.00 21.23 C ATOM 612 C CYS A 45 7.821 40.158 -0.006 1.00 61.44 C ATOM 613 O CYS A 45 6.670 40.512 -0.263 1.00 45.22 O ATOM 614 CB CYS A 45 7.901 37.778 0.761 1.00 73.14 C ATOM 615 SG CYS A 45 6.337 36.921 0.464 1.00 73.54 S ATOM 0 H CYS A 45 10.239 38.047 0.031 1.00 0.43 H new ATOM 0 HA CYS A 45 7.825 38.443 -1.282 1.00 21.23 H new ATOM 0 HB2 CYS A 45 8.692 37.037 0.882 1.00 73.14 H new ATOM 0 HB3 CYS A 45 7.830 38.325 1.701 1.00 73.14 H new ATOM 0 HG CYS A 45 6.573 35.758 -0.067 1.00 73.54 H new ATOM 621 N ARG A 46 8.711 40.954 0.577 1.00 52.12 N ATOM 622 CA ARG A 46 8.378 42.321 0.958 1.00 0.32 C ATOM 623 C ARG A 46 7.711 43.061 -0.198 1.00 12.14 C ATOM 624 O ARG A 46 6.814 43.879 0.009 1.00 32.33 O ATOM 625 CB ARG A 46 9.637 43.071 1.399 1.00 15.20 C ATOM 626 CG ARG A 46 10.173 42.620 2.748 1.00 43.14 C ATOM 627 CD ARG A 46 11.477 43.324 3.092 1.00 34.30 C ATOM 628 NE ARG A 46 12.536 43.014 2.135 1.00 35.42 N ATOM 629 CZ ARG A 46 13.624 43.758 1.977 1.00 42.01 C ATOM 630 NH1 ARG A 46 13.797 44.850 2.709 1.00 53.13 N ATOM 631 NH2 ARG A 46 14.543 43.410 1.085 1.00 4.34 N ATOM 0 H ARG A 46 9.668 40.676 0.796 1.00 52.12 H new ATOM 0 HA ARG A 46 7.677 42.279 1.792 1.00 0.32 H new ATOM 0 HB2 ARG A 46 10.413 42.936 0.646 1.00 15.20 H new ATOM 0 HB3 ARG A 46 9.418 44.138 1.443 1.00 15.20 H new ATOM 0 HG2 ARG A 46 9.433 42.824 3.522 1.00 43.14 H new ATOM 0 HG3 ARG A 46 10.332 41.542 2.736 1.00 43.14 H new ATOM 0 HD2 ARG A 46 11.312 44.401 3.114 1.00 34.30 H new ATOM 0 HD3 ARG A 46 11.795 43.030 4.092 1.00 34.30 H new ATOM 0 HE ARG A 46 12.434 42.180 1.556 1.00 35.42 H new ATOM 0 HH11 ARG A 46 13.093 45.120 3.396 1.00 53.13 H new ATOM 0 HH12 ARG A 46 14.634 45.420 2.585 1.00 53.13 H new ATOM 0 HH21 ARG A 46 14.414 42.570 0.520 1.00 4.34 H new ATOM 0 HH22 ARG A 46 15.379 43.982 0.964 1.00 4.34 H new ATOM 645 N LYS A 47 8.155 42.769 -1.415 1.00 61.12 N ATOM 646 CA LYS A 47 7.602 43.405 -2.605 1.00 72.31 C ATOM 647 C LYS A 47 6.252 42.796 -2.969 1.00 75.22 C ATOM 648 O LYS A 47 5.350 43.495 -3.432 1.00 25.05 O ATOM 649 CB LYS A 47 8.571 43.263 -3.781 1.00 53.42 C ATOM 650 CG LYS A 47 9.815 44.124 -3.651 1.00 2.42 C ATOM 651 CD LYS A 47 9.525 45.578 -3.985 1.00 10.14 C ATOM 652 CE LYS A 47 10.628 46.497 -3.481 1.00 33.42 C ATOM 653 NZ LYS A 47 10.753 47.723 -4.316 1.00 12.10 N ATOM 0 H LYS A 47 8.897 42.095 -1.604 1.00 61.12 H new ATOM 0 HA LYS A 47 7.457 44.463 -2.387 1.00 72.31 H new ATOM 0 HB2 LYS A 47 8.870 42.219 -3.871 1.00 53.42 H new ATOM 0 HB3 LYS A 47 8.052 43.526 -4.703 1.00 53.42 H new ATOM 0 HG2 LYS A 47 10.203 44.054 -2.635 1.00 2.42 H new ATOM 0 HG3 LYS A 47 10.592 43.745 -4.315 1.00 2.42 H new ATOM 0 HD2 LYS A 47 9.421 45.691 -5.064 1.00 10.14 H new ATOM 0 HD3 LYS A 47 8.574 45.872 -3.541 1.00 10.14 H new ATOM 0 HE2 LYS A 47 10.421 46.780 -2.449 1.00 33.42 H new ATOM 0 HE3 LYS A 47 11.576 45.960 -3.480 1.00 33.42 H new ATOM 0 HZ1 LYS A 47 11.515 48.323 -3.940 1.00 12.10 H new ATOM 0 HZ2 LYS A 47 10.975 47.454 -5.296 1.00 12.10 H new ATOM 0 HZ3 LYS A 47 9.856 48.249 -4.296 1.00 12.10 H new ATOM 667 N GLN A 48 6.119 41.491 -2.756 1.00 62.43 N ATOM 668 CA GLN A 48 4.878 40.789 -3.062 1.00 10.21 C ATOM 669 C GLN A 48 3.866 40.956 -1.933 1.00 3.01 C ATOM 670 O GLN A 48 2.753 40.435 -2.002 1.00 1.04 O ATOM 671 CB GLN A 48 5.153 39.304 -3.301 1.00 74.52 C ATOM 672 CG GLN A 48 4.069 38.607 -4.108 1.00 33.33 C ATOM 673 CD GLN A 48 4.097 38.988 -5.575 1.00 32.33 C ATOM 674 OE1 GLN A 48 4.963 38.541 -6.328 1.00 33.14 O ATOM 675 NE2 GLN A 48 3.147 39.818 -5.989 1.00 72.23 N ATOM 0 H GLN A 48 6.855 40.898 -2.373 1.00 62.43 H new ATOM 0 HA GLN A 48 4.458 41.224 -3.969 1.00 10.21 H new ATOM 0 HB2 GLN A 48 6.106 39.198 -3.820 1.00 74.52 H new ATOM 0 HB3 GLN A 48 5.257 38.803 -2.339 1.00 74.52 H new ATOM 0 HG2 GLN A 48 4.189 37.528 -4.015 1.00 33.33 H new ATOM 0 HG3 GLN A 48 3.094 38.856 -3.690 1.00 33.33 H new ATOM 0 HE21 GLN A 48 2.449 40.164 -5.330 1.00 72.23 H new ATOM 0 HE22 GLN A 48 3.115 40.110 -6.966 1.00 72.23 H new ATOM 684 N SER A 49 4.261 41.685 -0.894 1.00 40.41 N ATOM 685 CA SER A 49 3.390 41.917 0.252 1.00 0.41 C ATOM 686 C SER A 49 2.056 42.510 -0.191 1.00 34.33 C ATOM 687 O SER A 49 1.025 42.287 0.442 1.00 33.24 O ATOM 688 CB SER A 49 4.069 42.853 1.254 1.00 11.12 C ATOM 689 OG SER A 49 3.328 42.933 2.460 1.00 44.12 O ATOM 0 H SER A 49 5.178 42.125 -0.822 1.00 40.41 H new ATOM 0 HA SER A 49 3.200 40.957 0.733 1.00 0.41 H new ATOM 0 HB2 SER A 49 5.077 42.495 1.466 1.00 11.12 H new ATOM 0 HB3 SER A 49 4.169 43.847 0.818 1.00 11.12 H new ATOM 0 HG SER A 49 3.783 43.536 3.084 1.00 44.12 H new ATOM 695 N ASN A 50 2.085 43.266 -1.283 1.00 55.12 N ATOM 696 CA ASN A 50 0.878 43.892 -1.812 1.00 31.13 C ATOM 697 C ASN A 50 -0.237 42.864 -1.985 1.00 4.51 C ATOM 698 O ASN A 50 -1.419 43.189 -1.865 1.00 61.51 O ATOM 699 CB ASN A 50 1.175 44.570 -3.151 1.00 34.31 C ATOM 700 CG ASN A 50 -0.020 45.333 -3.690 1.00 31.40 C ATOM 701 OD1 ASN A 50 -0.598 46.171 -2.999 1.00 14.42 O ATOM 702 ND2 ASN A 50 -0.396 45.044 -4.931 1.00 24.25 N ATOM 0 H ASN A 50 2.931 43.460 -1.819 1.00 55.12 H new ATOM 0 HA ASN A 50 0.546 44.645 -1.097 1.00 31.13 H new ATOM 0 HB2 ASN A 50 2.015 45.254 -3.030 1.00 34.31 H new ATOM 0 HB3 ASN A 50 1.479 43.816 -3.877 1.00 34.31 H new ATOM 0 HD21 ASN A 50 -1.194 45.525 -5.347 1.00 24.25 H new ATOM 0 HD22 ASN A 50 0.113 44.342 -5.468 1.00 24.25 H new ATOM 709 N LEU A 51 0.148 41.625 -2.267 1.00 20.42 N ATOM 710 CA LEU A 51 -0.818 40.548 -2.456 1.00 52.20 C ATOM 711 C LEU A 51 -0.196 39.194 -2.129 1.00 13.45 C ATOM 712 O LEU A 51 0.621 38.675 -2.889 1.00 75.23 O ATOM 713 CB LEU A 51 -1.337 40.549 -3.895 1.00 12.10 C ATOM 714 CG LEU A 51 -2.567 41.417 -4.164 1.00 71.33 C ATOM 715 CD1 LEU A 51 -2.895 41.432 -5.649 1.00 60.33 C ATOM 716 CD2 LEU A 51 -3.758 40.919 -3.358 1.00 60.44 C ATOM 0 H LEU A 51 1.122 41.341 -2.370 1.00 20.42 H new ATOM 0 HA LEU A 51 -1.652 40.718 -1.775 1.00 52.20 H new ATOM 0 HB2 LEU A 51 -0.532 40.882 -4.550 1.00 12.10 H new ATOM 0 HB3 LEU A 51 -1.573 39.523 -4.176 1.00 12.10 H new ATOM 0 HG LEU A 51 -2.343 42.437 -3.852 1.00 71.33 H new ATOM 0 HD11 LEU A 51 -3.773 42.055 -5.821 1.00 60.33 H new ATOM 0 HD12 LEU A 51 -2.049 41.836 -6.204 1.00 60.33 H new ATOM 0 HD13 LEU A 51 -3.099 40.416 -5.987 1.00 60.33 H new ATOM 0 HD21 LEU A 51 -4.624 41.549 -3.562 1.00 60.44 H new ATOM 0 HD22 LEU A 51 -3.983 39.890 -3.639 1.00 60.44 H new ATOM 0 HD23 LEU A 51 -3.521 40.961 -2.295 1.00 60.44 H new ATOM 728 N TYR A 52 -0.590 38.628 -0.993 1.00 63.34 N ATOM 729 CA TYR A 52 -0.071 37.334 -0.565 1.00 2.20 C ATOM 730 C TYR A 52 -1.197 36.315 -0.425 1.00 31.24 C ATOM 731 O TYR A 52 -2.370 36.643 -0.598 1.00 73.25 O ATOM 732 CB TYR A 52 0.674 37.475 0.764 1.00 73.51 C ATOM 733 CG TYR A 52 -0.241 37.641 1.956 1.00 54.01 C ATOM 734 CD1 TYR A 52 -0.972 38.809 2.138 1.00 42.01 C ATOM 735 CD2 TYR A 52 -0.375 36.631 2.901 1.00 51.23 C ATOM 736 CE1 TYR A 52 -1.809 38.966 3.226 1.00 43.12 C ATOM 737 CE2 TYR A 52 -1.211 36.779 3.991 1.00 64.22 C ATOM 738 CZ TYR A 52 -1.925 37.948 4.149 1.00 10.01 C ATOM 739 OH TYR A 52 -2.757 38.100 5.234 1.00 33.44 O ATOM 0 H TYR A 52 -1.266 39.044 -0.353 1.00 63.34 H new ATOM 0 HA TYR A 52 0.623 36.978 -1.327 1.00 2.20 H new ATOM 0 HB2 TYR A 52 1.299 36.595 0.916 1.00 73.51 H new ATOM 0 HB3 TYR A 52 1.342 38.334 0.707 1.00 73.51 H new ATOM 0 HD1 TYR A 52 -0.884 39.608 1.416 1.00 42.01 H new ATOM 0 HD2 TYR A 52 0.184 35.715 2.781 1.00 51.23 H new ATOM 0 HE1 TYR A 52 -2.369 39.881 3.353 1.00 43.12 H new ATOM 0 HE2 TYR A 52 -1.305 35.983 4.715 1.00 64.22 H new ATOM 0 HH TYR A 52 -2.725 37.291 5.787 1.00 33.44 H new ATOM 749 N GLU A 53 -0.830 35.077 -0.108 1.00 71.11 N ATOM 750 CA GLU A 53 -1.809 34.009 0.056 1.00 72.24 C ATOM 751 C GLU A 53 -1.244 32.880 0.913 1.00 73.44 C ATOM 752 O GLU A 53 -0.216 32.289 0.581 1.00 43.14 O ATOM 753 CB GLU A 53 -2.235 33.464 -1.309 1.00 75.21 C ATOM 754 CG GLU A 53 -3.182 32.279 -1.222 1.00 73.45 C ATOM 755 CD GLU A 53 -3.402 31.608 -2.565 1.00 22.14 C ATOM 756 OE1 GLU A 53 -2.873 32.117 -3.575 1.00 51.21 O ATOM 757 OE2 GLU A 53 -4.102 30.575 -2.605 1.00 22.21 O ATOM 0 H GLU A 53 0.137 34.789 0.040 1.00 71.11 H new ATOM 0 HA GLU A 53 -2.681 34.424 0.562 1.00 72.24 H new ATOM 0 HB2 GLU A 53 -2.716 34.262 -1.876 1.00 75.21 H new ATOM 0 HB3 GLU A 53 -1.346 33.168 -1.866 1.00 75.21 H new ATOM 0 HG2 GLU A 53 -2.782 31.550 -0.517 1.00 73.45 H new ATOM 0 HG3 GLU A 53 -4.141 32.613 -0.826 1.00 73.45 H new ATOM 764 N CYS A 54 -1.923 32.586 2.016 1.00 74.12 N ATOM 765 CA CYS A 54 -1.489 31.529 2.922 1.00 34.41 C ATOM 766 C CYS A 54 -1.533 30.169 2.232 1.00 2.10 C ATOM 767 O CYS A 54 -2.597 29.650 1.895 1.00 52.44 O ATOM 768 CB CYS A 54 -2.369 31.507 4.173 1.00 51.51 C ATOM 769 SG CYS A 54 -1.825 30.336 5.438 1.00 34.31 S ATOM 0 H CYS A 54 -2.776 33.065 2.304 1.00 74.12 H new ATOM 0 HA CYS A 54 -0.459 31.736 3.214 1.00 34.41 H new ATOM 0 HB2 CYS A 54 -2.392 32.507 4.605 1.00 51.51 H new ATOM 0 HB3 CYS A 54 -3.390 31.262 3.881 1.00 51.51 H new ATOM 0 HG CYS A 54 -0.605 29.962 5.188 1.00 34.31 H new ATOM 775 N PRO A 55 -0.349 29.577 2.015 1.00 41.42 N ATOM 776 CA PRO A 55 -0.225 28.271 1.362 1.00 62.13 C ATOM 777 C PRO A 55 -0.743 27.134 2.236 1.00 10.21 C ATOM 778 O PRO A 55 -0.904 26.005 1.772 1.00 5.13 O ATOM 779 CB PRO A 55 1.283 28.128 1.137 1.00 14.32 C ATOM 780 CG PRO A 55 1.904 28.986 2.184 1.00 4.33 C ATOM 781 CD PRO A 55 0.960 30.138 2.391 1.00 51.14 C ATOM 0 HA PRO A 55 -0.814 28.216 0.446 1.00 62.13 H new ATOM 0 HB2 PRO A 55 1.601 27.090 1.235 1.00 14.32 H new ATOM 0 HB3 PRO A 55 1.567 28.455 0.137 1.00 14.32 H new ATOM 0 HG2 PRO A 55 2.048 28.429 3.110 1.00 4.33 H new ATOM 0 HG3 PRO A 55 2.886 29.338 1.868 1.00 4.33 H new ATOM 0 HD2 PRO A 55 0.967 30.483 3.425 1.00 51.14 H new ATOM 0 HD3 PRO A 55 1.225 30.992 1.768 1.00 51.14 H new ATOM 789 N ASP A 56 -1.003 27.440 3.502 1.00 34.34 N ATOM 790 CA ASP A 56 -1.505 26.443 4.442 1.00 54.53 C ATOM 791 C ASP A 56 -3.010 26.251 4.278 1.00 42.34 C ATOM 792 O ASP A 56 -3.478 25.145 4.007 1.00 73.12 O ATOM 793 CB ASP A 56 -1.185 26.859 5.878 1.00 15.24 C ATOM 794 CG ASP A 56 0.229 27.384 6.028 1.00 70.00 C ATOM 795 OD1 ASP A 56 0.396 28.488 6.587 1.00 4.31 O ATOM 796 OD2 ASP A 56 1.169 26.690 5.587 1.00 55.13 O ATOM 0 H ASP A 56 -0.875 28.370 3.902 1.00 34.34 H new ATOM 0 HA ASP A 56 -1.011 25.496 4.228 1.00 54.53 H new ATOM 0 HB2 ASP A 56 -1.890 27.627 6.196 1.00 15.24 H new ATOM 0 HB3 ASP A 56 -1.324 26.004 6.540 1.00 15.24 H new ATOM 801 N CYS A 57 -3.761 27.334 4.444 1.00 2.22 N ATOM 802 CA CYS A 57 -5.213 27.285 4.316 1.00 30.55 C ATOM 803 C CYS A 57 -5.670 27.969 3.032 1.00 65.40 C ATOM 804 O CYS A 57 -6.814 28.406 2.922 1.00 32.24 O ATOM 805 CB CYS A 57 -5.875 27.948 5.525 1.00 71.10 C ATOM 806 SG CYS A 57 -5.421 29.683 5.755 1.00 34.03 S ATOM 0 H CYS A 57 -3.388 28.257 4.668 1.00 2.22 H new ATOM 0 HA CYS A 57 -5.514 26.238 4.275 1.00 30.55 H new ATOM 0 HB2 CYS A 57 -6.957 27.878 5.417 1.00 71.10 H new ATOM 0 HB3 CYS A 57 -5.607 27.391 6.423 1.00 71.10 H new ATOM 0 HG CYS A 57 -4.132 29.812 5.648 1.00 34.03 H new ATOM 812 N GLY A 58 -4.765 28.059 2.062 1.00 43.02 N ATOM 813 CA GLY A 58 -5.093 28.693 0.798 1.00 22.12 C ATOM 814 C GLY A 58 -5.877 29.977 0.980 1.00 3.42 C ATOM 815 O GLY A 58 -6.836 30.236 0.253 1.00 1.21 O ATOM 0 H GLY A 58 -3.811 27.704 2.129 1.00 43.02 H new ATOM 0 HA2 GLY A 58 -4.174 28.906 0.253 1.00 22.12 H new ATOM 0 HA3 GLY A 58 -5.672 28.001 0.187 1.00 22.12 H new ATOM 819 N PHE A 59 -5.469 30.784 1.955 1.00 55.25 N ATOM 820 CA PHE A 59 -6.142 32.048 2.232 1.00 32.10 C ATOM 821 C PHE A 59 -5.495 33.191 1.455 1.00 21.32 C ATOM 822 O PHE A 59 -4.424 33.675 1.821 1.00 53.25 O ATOM 823 CB PHE A 59 -6.106 32.351 3.731 1.00 33.24 C ATOM 824 CG PHE A 59 -6.591 33.730 4.076 1.00 35.22 C ATOM 825 CD1 PHE A 59 -7.809 34.189 3.601 1.00 50.23 C ATOM 826 CD2 PHE A 59 -5.830 34.567 4.876 1.00 64.25 C ATOM 827 CE1 PHE A 59 -8.259 35.458 3.916 1.00 23.44 C ATOM 828 CE2 PHE A 59 -6.274 35.836 5.195 1.00 73.21 C ATOM 829 CZ PHE A 59 -7.490 36.282 4.714 1.00 44.22 C ATOM 0 H PHE A 59 -4.677 30.585 2.566 1.00 55.25 H new ATOM 0 HA PHE A 59 -7.180 31.956 1.911 1.00 32.10 H new ATOM 0 HB2 PHE A 59 -6.717 31.618 4.257 1.00 33.24 H new ATOM 0 HB3 PHE A 59 -5.085 32.233 4.093 1.00 33.24 H new ATOM 0 HD1 PHE A 59 -8.414 33.548 2.977 1.00 50.23 H new ATOM 0 HD2 PHE A 59 -4.879 34.224 5.255 1.00 64.25 H new ATOM 0 HE1 PHE A 59 -9.210 35.804 3.539 1.00 23.44 H new ATOM 0 HE2 PHE A 59 -5.671 36.479 5.820 1.00 73.21 H new ATOM 0 HZ PHE A 59 -7.839 37.274 4.962 1.00 44.22 H new ATOM 839 N MET A 60 -6.153 33.615 0.381 1.00 3.54 N ATOM 840 CA MET A 60 -5.642 34.702 -0.447 1.00 71.51 C ATOM 841 C MET A 60 -5.953 36.057 0.180 1.00 34.44 C ATOM 842 O MET A 60 -7.111 36.378 0.445 1.00 71.32 O ATOM 843 CB MET A 60 -6.244 34.626 -1.852 1.00 1.54 C ATOM 844 CG MET A 60 -5.999 33.297 -2.547 1.00 51.45 C ATOM 845 SD MET A 60 -7.341 32.839 -3.661 1.00 32.42 S ATOM 846 CE MET A 60 -6.435 31.993 -4.953 1.00 64.15 C ATOM 0 H MET A 60 -7.040 33.223 0.064 1.00 3.54 H new ATOM 0 HA MET A 60 -4.559 34.595 -0.516 1.00 71.51 H new ATOM 0 HB2 MET A 60 -7.318 34.801 -1.788 1.00 1.54 H new ATOM 0 HB3 MET A 60 -5.826 35.428 -2.461 1.00 1.54 H new ATOM 0 HG2 MET A 60 -5.067 33.352 -3.110 1.00 51.45 H new ATOM 0 HG3 MET A 60 -5.872 32.517 -1.797 1.00 51.45 H new ATOM 0 HE1 MET A 60 -7.130 31.649 -5.719 1.00 64.15 H new ATOM 0 HE2 MET A 60 -5.713 32.677 -5.399 1.00 64.15 H new ATOM 0 HE3 MET A 60 -5.910 31.137 -4.529 1.00 64.15 H new ATOM 856 N GLY A 61 -4.911 36.848 0.417 1.00 53.14 N ATOM 857 CA GLY A 61 -5.095 38.159 1.012 1.00 73.23 C ATOM 858 C GLY A 61 -4.279 39.231 0.317 1.00 72.32 C ATOM 859 O GLY A 61 -3.537 38.961 -0.628 1.00 0.32 O ATOM 0 H GLY A 61 -3.943 36.604 0.208 1.00 53.14 H new ATOM 0 HA2 GLY A 61 -6.151 38.428 0.972 1.00 73.23 H new ATOM 0 HA3 GLY A 61 -4.815 38.119 2.065 1.00 73.23 H new ATOM 863 N PRO A 62 -4.414 40.480 0.787 1.00 64.14 N ATOM 864 CA PRO A 62 -3.691 41.622 0.218 1.00 72.54 C ATOM 865 C PRO A 62 -2.196 41.567 0.512 1.00 31.33 C ATOM 866 O PRO A 62 -1.545 42.600 0.664 1.00 52.54 O ATOM 867 CB PRO A 62 -4.329 42.827 0.912 1.00 33.05 C ATOM 868 CG PRO A 62 -4.858 42.288 2.197 1.00 63.02 C ATOM 869 CD PRO A 62 -5.281 40.874 1.910 1.00 64.23 C ATOM 0 HA PRO A 62 -3.765 41.651 -0.869 1.00 72.54 H new ATOM 0 HB2 PRO A 62 -3.598 43.617 1.085 1.00 33.05 H new ATOM 0 HB3 PRO A 62 -5.126 43.257 0.305 1.00 33.05 H new ATOM 0 HG2 PRO A 62 -4.096 42.317 2.976 1.00 63.02 H new ATOM 0 HG3 PRO A 62 -5.700 42.883 2.553 1.00 63.02 H new ATOM 0 HD2 PRO A 62 -5.136 40.228 2.776 1.00 64.23 H new ATOM 0 HD3 PRO A 62 -6.336 40.817 1.642 1.00 64.23 H new TER 877 PRO A 62