USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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 70 THR OG1 : rot -53:sc= 1.41 USER MOD Set 1.2: A 71 SER OG : rot -170:sc= 0.349 USER MOD Set 1.3: A 74 LYS NZ :NH3+ -154:sc= 1.12 (180deg=-0.912) USER MOD Set 2.1: A 42 HIS : no HD1:sc= 0.0666 K(o=-0.34,f=-7.9!) USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.333 K(o=-0.34,f=-7!) USER MOD Set 2.3: A 56 HIS : no HD1:sc= -0.0745 K(o=-0.34,f=-1.5) USER MOD Single : A 1 ALA N :NH3+ 155:sc= 0.399 (180deg=0.269) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 2.34 K(o=2.3,f=-12!) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc=-0.00791 (180deg=-0.134) USER MOD Single : A 17 THR OG1 : rot -77:sc= 0.967 USER MOD Single : A 22 SER OG : rot 77:sc= -1.14 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00854 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.782 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.133 USER MOD Single : A 45 SER OG : rot 76:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.018) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.507 K(o=0.51,f=-0.55) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-4.7!) USER MOD Single : A 58 THR OG1 : rot -144:sc= -0.0492 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 69 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.2!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.416 (180deg=0.294) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0.739 (180deg=0.643) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.880 5.712 -5.389 1.00 0.00 N ATOM 2 CA ALA A 1 11.544 4.654 -6.142 1.00 0.00 C ATOM 3 C ALA A 1 13.022 4.973 -6.408 1.00 0.00 C ATOM 4 O ALA A 1 13.634 4.336 -7.265 1.00 0.00 O ATOM 5 CB ALA A 1 10.783 4.466 -7.460 1.00 0.00 C ATOM 0 H1 ALA A 1 9.859 5.689 -5.585 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.041 5.567 -4.372 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.266 6.635 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 1 11.531 3.735 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.258 3.679 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.751 4.187 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.798 5.398 -8.025 1.00 0.00 H new ATOM 12 N VAL A 2 13.601 5.926 -5.669 1.00 0.00 N ATOM 13 CA VAL A 2 14.957 6.413 -5.893 1.00 0.00 C ATOM 14 C VAL A 2 16.005 5.294 -5.970 1.00 0.00 C ATOM 15 O VAL A 2 16.801 5.278 -6.907 1.00 0.00 O ATOM 16 CB VAL A 2 15.312 7.530 -4.892 1.00 0.00 C ATOM 17 CG1 VAL A 2 14.376 8.733 -5.077 1.00 0.00 C ATOM 18 CG2 VAL A 2 15.266 7.087 -3.425 1.00 0.00 C ATOM 0 H VAL A 2 13.130 6.384 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 2 14.979 6.860 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 2 16.344 7.803 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.640 9.513 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.477 9.120 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.345 8.421 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.528 7.928 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.261 6.742 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.976 6.275 -3.268 1.00 0.00 H new ATOM 28 N ILE A 3 16.012 4.336 -5.035 1.00 0.00 N ATOM 29 CA ILE A 3 16.974 3.231 -5.071 1.00 0.00 C ATOM 30 C ILE A 3 16.465 2.155 -6.041 1.00 0.00 C ATOM 31 O ILE A 3 16.242 1.006 -5.668 1.00 0.00 O ATOM 32 CB ILE A 3 17.283 2.703 -3.652 1.00 0.00 C ATOM 33 CG1 ILE A 3 17.603 3.828 -2.648 1.00 0.00 C ATOM 34 CG2 ILE A 3 18.455 1.705 -3.661 1.00 0.00 C ATOM 35 CD1 ILE A 3 18.729 4.776 -3.078 1.00 0.00 C ATOM 0 H ILE A 3 15.364 4.305 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 3 17.934 3.582 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 3 16.371 2.201 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.699 4.414 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.872 3.377 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.643 1.355 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.205 0.856 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.348 2.196 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.881 5.533 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.649 4.209 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.458 5.261 -4.016 1.00 0.00 H new ATOM 47 N THR A 4 16.272 2.542 -7.304 1.00 0.00 N ATOM 48 CA THR A 4 15.831 1.668 -8.383 1.00 0.00 C ATOM 49 C THR A 4 14.616 0.830 -7.960 1.00 0.00 C ATOM 50 O THR A 4 14.648 -0.400 -7.990 1.00 0.00 O ATOM 51 CB THR A 4 17.021 0.812 -8.856 1.00 0.00 C ATOM 52 OG1 THR A 4 18.171 1.632 -8.959 1.00 0.00 O ATOM 53 CG2 THR A 4 16.771 0.185 -10.232 1.00 0.00 C ATOM 0 H THR A 4 16.424 3.503 -7.609 1.00 0.00 H new ATOM 0 HA THR A 4 15.492 2.266 -9.229 1.00 0.00 H new ATOM 0 HB THR A 4 17.157 0.014 -8.126 1.00 0.00 H new ATOM 0 HG1 THR A 4 18.932 1.092 -9.258 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.637 -0.409 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.890 -0.456 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.608 0.973 -10.967 1.00 0.00 H new ATOM 61 N GLY A 5 13.535 1.492 -7.537 1.00 0.00 N ATOM 62 CA GLY A 5 12.307 0.822 -7.126 1.00 0.00 C ATOM 63 C GLY A 5 12.408 0.218 -5.724 1.00 0.00 C ATOM 64 O GLY A 5 11.563 0.514 -4.878 1.00 0.00 O ATOM 0 H GLY A 5 13.491 2.509 -7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.482 1.534 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.070 0.034 -7.841 1.00 0.00 H new ATOM 68 N ALA A 6 13.404 -0.648 -5.500 1.00 0.00 N ATOM 69 CA ALA A 6 13.679 -1.313 -4.233 1.00 0.00 C ATOM 70 C ALA A 6 13.702 -0.286 -3.102 1.00 0.00 C ATOM 71 O ALA A 6 14.208 0.823 -3.268 1.00 0.00 O ATOM 72 CB ALA A 6 15.020 -2.047 -4.320 1.00 0.00 C ATOM 0 H ALA A 6 14.064 -0.911 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 6 12.893 -2.039 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.225 -2.544 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.977 -2.789 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.814 -1.331 -4.533 1.00 0.00 H new ATOM 78 N CYS A 7 13.119 -0.646 -1.962 1.00 0.00 N ATOM 79 CA CYS A 7 13.025 0.232 -0.807 1.00 0.00 C ATOM 80 C CYS A 7 13.246 -0.530 0.496 1.00 0.00 C ATOM 81 O CYS A 7 13.296 -1.757 0.519 1.00 0.00 O ATOM 82 CB CYS A 7 11.650 0.902 -0.796 1.00 0.00 C ATOM 83 SG CYS A 7 10.322 -0.243 -0.370 1.00 0.00 S ATOM 0 H CYS A 7 12.696 -1.563 -1.816 1.00 0.00 H new ATOM 0 HA CYS A 7 13.807 0.987 -0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.657 1.726 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.452 1.333 -1.778 1.00 0.00 H new ATOM 88 N GLU A 8 13.380 0.235 1.580 1.00 0.00 N ATOM 89 CA GLU A 8 13.494 -0.224 2.954 1.00 0.00 C ATOM 90 C GLU A 8 12.426 0.485 3.792 1.00 0.00 C ATOM 91 O GLU A 8 11.817 -0.145 4.654 1.00 0.00 O ATOM 92 CB GLU A 8 14.893 0.036 3.531 1.00 0.00 C ATOM 93 CG GLU A 8 16.031 -0.514 2.659 1.00 0.00 C ATOM 94 CD GLU A 8 16.513 0.513 1.640 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.162 1.486 2.082 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.214 0.329 0.439 1.00 0.00 O ATOM 0 H GLU A 8 13.413 1.252 1.512 1.00 0.00 H new ATOM 0 HA GLU A 8 13.340 -1.303 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.030 1.110 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.957 -0.413 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.864 -0.813 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.690 -1.409 2.139 1.00 0.00 H new ATOM 103 N ARG A 9 12.204 1.787 3.560 1.00 0.00 N ATOM 104 CA ARG A 9 11.198 2.574 4.267 1.00 0.00 C ATOM 105 C ARG A 9 10.569 3.625 3.342 1.00 0.00 C ATOM 106 O ARG A 9 11.180 4.025 2.347 1.00 0.00 O ATOM 107 CB ARG A 9 11.774 3.189 5.560 1.00 0.00 C ATOM 108 CG ARG A 9 13.304 3.283 5.664 1.00 0.00 C ATOM 109 CD ARG A 9 13.921 4.262 4.658 1.00 0.00 C ATOM 110 NE ARG A 9 15.209 3.766 4.161 1.00 0.00 N ATOM 111 CZ ARG A 9 16.370 3.774 4.828 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.453 4.337 6.038 1.00 0.00 N ATOM 113 NH2 ARG A 9 17.445 3.204 4.276 1.00 0.00 N ATOM 0 H ARG A 9 12.727 2.324 2.868 1.00 0.00 H new ATOM 0 HA ARG A 9 10.395 1.904 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.364 4.193 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.412 2.603 6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.574 3.592 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.733 2.293 5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.237 4.409 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.060 5.234 5.130 1.00 0.00 H new ATOM 0 HE ARG A 9 15.221 3.378 3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.628 4.764 6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.341 4.339 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.376 2.769 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.335 3.204 4.775 1.00 0.00 H new ATOM 127 N ASP A 10 9.358 4.090 3.692 1.00 0.00 N ATOM 128 CA ASP A 10 8.572 5.047 2.907 1.00 0.00 C ATOM 129 C ASP A 10 9.355 6.301 2.518 1.00 0.00 C ATOM 130 O ASP A 10 9.006 6.948 1.536 1.00 0.00 O ATOM 131 CB ASP A 10 7.336 5.513 3.684 1.00 0.00 C ATOM 132 CG ASP A 10 6.122 4.601 3.635 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.169 3.482 3.079 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.103 5.036 4.210 1.00 0.00 O ATOM 0 H ASP A 10 8.890 3.801 4.551 1.00 0.00 H new ATOM 0 HA ASP A 10 8.295 4.506 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.620 5.648 4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.043 6.492 3.304 1.00 0.00 H new ATOM 139 N LEU A 11 10.377 6.675 3.291 1.00 0.00 N ATOM 140 CA LEU A 11 11.222 7.832 3.016 1.00 0.00 C ATOM 141 C LEU A 11 11.732 7.826 1.567 1.00 0.00 C ATOM 142 O LEU A 11 11.891 8.882 0.961 1.00 0.00 O ATOM 143 CB LEU A 11 12.388 7.831 4.015 1.00 0.00 C ATOM 144 CG LEU A 11 13.362 9.013 3.875 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.671 10.360 4.121 1.00 0.00 C ATOM 146 CD2 LEU A 11 14.503 8.838 4.883 1.00 0.00 C ATOM 0 H LEU A 11 10.642 6.173 4.138 1.00 0.00 H new ATOM 0 HA LEU A 11 10.637 8.744 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.981 7.832 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.947 6.903 3.898 1.00 0.00 H new ATOM 0 HG LEU A 11 13.743 9.018 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.396 11.166 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.867 10.494 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.258 10.378 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.200 9.671 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.095 8.815 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.027 7.904 4.681 1.00 0.00 H new ATOM 158 N GLN A 12 11.991 6.638 1.011 1.00 0.00 N ATOM 159 CA GLN A 12 12.494 6.477 -0.352 1.00 0.00 C ATOM 160 C GLN A 12 11.379 6.564 -1.405 1.00 0.00 C ATOM 161 O GLN A 12 11.666 6.554 -2.602 1.00 0.00 O ATOM 162 CB GLN A 12 13.158 5.100 -0.443 1.00 0.00 C ATOM 163 CG GLN A 12 14.315 4.949 0.552 1.00 0.00 C ATOM 164 CD GLN A 12 14.664 3.481 0.713 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.223 2.839 1.663 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.424 2.929 -0.224 1.00 0.00 N ATOM 0 H GLN A 12 11.855 5.754 1.502 1.00 0.00 H new ATOM 0 HA GLN A 12 13.196 7.285 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.414 4.326 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.529 4.943 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.185 5.503 0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.036 5.374 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.771 3.495 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.661 1.938 -0.170 1.00 0.00 H new ATOM 175 N CYS A 13 10.125 6.598 -0.950 1.00 0.00 N ATOM 176 CA CYS A 13 8.902 6.556 -1.732 1.00 0.00 C ATOM 177 C CYS A 13 8.146 7.868 -1.505 1.00 0.00 C ATOM 178 O CYS A 13 8.623 8.927 -1.915 1.00 0.00 O ATOM 179 CB CYS A 13 8.106 5.318 -1.284 1.00 0.00 C ATOM 180 SG CYS A 13 9.030 3.768 -1.198 1.00 0.00 S ATOM 0 H CYS A 13 9.931 6.660 0.049 1.00 0.00 H new ATOM 0 HA CYS A 13 9.087 6.467 -2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.682 5.520 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.270 5.181 -1.969 1.00 0.00 H new ATOM 185 N GLY A 14 6.969 7.838 -0.869 1.00 0.00 N ATOM 186 CA GLY A 14 6.209 9.030 -0.542 1.00 0.00 C ATOM 187 C GLY A 14 5.412 9.510 -1.739 1.00 0.00 C ATOM 188 O GLY A 14 4.183 9.506 -1.732 1.00 0.00 O ATOM 0 H GLY A 14 6.521 6.973 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.535 8.820 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.886 9.818 -0.211 1.00 0.00 H new ATOM 192 N LYS A 15 6.144 9.919 -2.769 1.00 0.00 N ATOM 193 CA LYS A 15 5.632 10.436 -4.029 1.00 0.00 C ATOM 194 C LYS A 15 4.656 9.443 -4.655 1.00 0.00 C ATOM 195 O LYS A 15 5.047 8.555 -5.411 1.00 0.00 O ATOM 196 CB LYS A 15 6.788 10.757 -4.975 1.00 0.00 C ATOM 197 CG LYS A 15 7.754 11.761 -4.338 1.00 0.00 C ATOM 198 CD LYS A 15 8.578 12.385 -5.462 1.00 0.00 C ATOM 199 CE LYS A 15 9.680 13.311 -4.933 1.00 0.00 C ATOM 200 NZ LYS A 15 10.693 12.576 -4.154 1.00 0.00 N ATOM 0 H LYS A 15 7.163 9.897 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 15 5.087 11.361 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.323 9.841 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.397 11.164 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.204 12.529 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.403 11.264 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.028 11.594 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.919 12.949 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.162 13.815 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.234 14.085 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.509 13.195 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.282 12.273 -3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.004 11.740 -4.690 1.00 0.00 H new ATOM 214 N GLY A 16 3.387 9.591 -4.277 1.00 0.00 N ATOM 215 CA GLY A 16 2.275 8.726 -4.644 1.00 0.00 C ATOM 216 C GLY A 16 2.596 7.246 -4.417 1.00 0.00 C ATOM 217 O GLY A 16 2.018 6.388 -5.084 1.00 0.00 O ATOM 0 H GLY A 16 3.095 10.360 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.396 8.999 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.023 8.885 -5.693 1.00 0.00 H new ATOM 221 N THR A 17 3.535 6.934 -3.517 1.00 0.00 N ATOM 222 CA THR A 17 3.966 5.567 -3.272 1.00 0.00 C ATOM 223 C THR A 17 4.259 5.318 -1.788 1.00 0.00 C ATOM 224 O THR A 17 4.563 6.260 -1.055 1.00 0.00 O ATOM 225 CB THR A 17 5.248 5.301 -4.090 1.00 0.00 C ATOM 226 OG1 THR A 17 6.136 6.395 -3.951 1.00 0.00 O ATOM 227 CG2 THR A 17 5.032 5.091 -5.590 1.00 0.00 C ATOM 0 H THR A 17 4.013 7.627 -2.942 1.00 0.00 H new ATOM 0 HA THR A 17 3.161 4.895 -3.571 1.00 0.00 H new ATOM 0 HB THR A 17 5.645 4.370 -3.684 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.830 7.138 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.992 4.912 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.380 4.231 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.570 5.980 -6.019 1.00 0.00 H new ATOM 235 N CYS A 18 4.237 4.047 -1.367 1.00 0.00 N ATOM 236 CA CYS A 18 4.663 3.598 -0.042 1.00 0.00 C ATOM 237 C CYS A 18 5.619 2.412 -0.233 1.00 0.00 C ATOM 238 O CYS A 18 5.569 1.737 -1.264 1.00 0.00 O ATOM 239 CB CYS A 18 3.476 3.234 0.865 1.00 0.00 C ATOM 240 SG CYS A 18 3.124 1.468 0.978 1.00 0.00 S ATOM 0 H CYS A 18 3.912 3.283 -1.959 1.00 0.00 H new ATOM 0 HA CYS A 18 5.175 4.413 0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.672 3.616 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.586 3.745 0.497 1.00 0.00 H new ATOM 245 N CYS A 19 6.497 2.153 0.737 1.00 0.00 N ATOM 246 CA CYS A 19 7.488 1.086 0.651 1.00 0.00 C ATOM 247 C CYS A 19 6.882 -0.255 1.065 1.00 0.00 C ATOM 248 O CYS A 19 6.920 -0.591 2.247 1.00 0.00 O ATOM 249 CB CYS A 19 8.674 1.437 1.553 1.00 0.00 C ATOM 250 SG CYS A 19 9.924 0.141 1.624 1.00 0.00 S ATOM 0 H CYS A 19 6.539 2.682 1.608 1.00 0.00 H new ATOM 0 HA CYS A 19 7.826 0.992 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.135 2.357 1.194 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.309 1.636 2.561 1.00 0.00 H new ATOM 255 N ALA A 20 6.325 -1.027 0.121 1.00 0.00 N ATOM 256 CA ALA A 20 5.649 -2.293 0.419 1.00 0.00 C ATOM 257 C ALA A 20 6.223 -3.464 -0.375 1.00 0.00 C ATOM 258 O ALA A 20 6.954 -3.267 -1.344 1.00 0.00 O ATOM 259 CB ALA A 20 4.146 -2.153 0.180 1.00 0.00 C ATOM 0 H ALA A 20 6.332 -0.789 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 20 5.824 -2.518 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.652 -3.099 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.746 -1.372 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.966 -1.888 -0.862 1.00 0.00 H new ATOM 265 N VAL A 21 5.918 -4.687 0.072 1.00 0.00 N ATOM 266 CA VAL A 21 6.410 -5.924 -0.524 1.00 0.00 C ATOM 267 C VAL A 21 6.158 -5.936 -2.039 1.00 0.00 C ATOM 268 O VAL A 21 5.108 -5.509 -2.507 1.00 0.00 O ATOM 269 CB VAL A 21 5.809 -7.156 0.186 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.477 -8.449 -0.303 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.987 -7.078 1.710 1.00 0.00 C ATOM 0 H VAL A 21 5.309 -4.843 0.875 1.00 0.00 H new ATOM 0 HA VAL A 21 7.489 -5.975 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 21 4.746 -7.164 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.037 -9.303 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.324 -8.554 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.545 -8.409 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.551 -7.963 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.049 -7.029 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.487 -6.187 2.090 1.00 0.00 H new ATOM 281 N SER A 22 7.125 -6.413 -2.821 1.00 0.00 N ATOM 282 CA SER A 22 7.001 -6.509 -4.260 1.00 0.00 C ATOM 283 C SER A 22 5.922 -7.546 -4.585 1.00 0.00 C ATOM 284 O SER A 22 5.810 -8.560 -3.902 1.00 0.00 O ATOM 285 CB SER A 22 8.387 -6.826 -4.831 1.00 0.00 C ATOM 286 OG SER A 22 9.254 -5.769 -4.503 1.00 0.00 O ATOM 0 H SER A 22 8.021 -6.744 -2.463 1.00 0.00 H new ATOM 0 HA SER A 22 6.676 -5.579 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.761 -7.764 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.332 -6.950 -5.913 1.00 0.00 H new ATOM 0 HG SER A 22 9.523 -5.846 -3.564 1.00 0.00 H new ATOM 292 N LEU A 23 5.072 -7.285 -5.581 1.00 0.00 N ATOM 293 CA LEU A 23 3.944 -8.167 -5.872 1.00 0.00 C ATOM 294 C LEU A 23 4.406 -9.512 -6.434 1.00 0.00 C ATOM 295 O LEU A 23 3.802 -10.534 -6.118 1.00 0.00 O ATOM 296 CB LEU A 23 2.900 -7.481 -6.771 1.00 0.00 C ATOM 297 CG LEU A 23 2.090 -6.340 -6.115 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.121 -6.851 -5.039 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.946 -5.223 -5.510 1.00 0.00 C ATOM 0 H LEU A 23 5.144 -6.474 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 23 3.446 -8.380 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.410 -7.081 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.201 -8.238 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 23 1.529 -5.916 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.577 -6.009 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.414 -7.549 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.683 -7.358 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.297 -4.465 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.593 -5.638 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.558 -4.770 -6.290 1.00 0.00 H new ATOM 311 N TRP A 24 5.480 -9.523 -7.232 1.00 0.00 N ATOM 312 CA TRP A 24 5.949 -10.739 -7.893 1.00 0.00 C ATOM 313 C TRP A 24 7.120 -11.338 -7.105 1.00 0.00 C ATOM 314 O TRP A 24 6.965 -12.379 -6.468 1.00 0.00 O ATOM 315 CB TRP A 24 6.239 -10.461 -9.386 1.00 0.00 C ATOM 316 CG TRP A 24 5.394 -9.370 -9.982 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.869 -8.254 -10.580 1.00 0.00 C ATOM 318 CD2 TRP A 24 3.950 -9.179 -9.882 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.838 -7.367 -10.809 1.00 0.00 N ATOM 320 CE2 TRP A 24 3.636 -7.875 -10.363 1.00 0.00 C ATOM 321 CE3 TRP A 24 2.883 -9.939 -9.355 1.00 0.00 C ATOM 322 CZ2 TRP A 24 2.344 -7.338 -10.279 1.00 0.00 C ATOM 323 CZ3 TRP A 24 1.573 -9.430 -9.314 1.00 0.00 C ATOM 324 CH2 TRP A 24 1.317 -8.109 -9.718 1.00 0.00 C ATOM 0 H TRP A 24 6.042 -8.696 -7.434 1.00 0.00 H new ATOM 0 HA TRP A 24 5.173 -11.504 -7.894 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.290 -10.194 -9.497 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.081 -11.379 -9.953 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.903 -8.083 -10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.950 -6.454 -11.251 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.077 -10.931 -8.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.142 -6.341 -10.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.762 -10.056 -8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.330 -7.688 -9.596 1.00 0.00 H new ATOM 335 N ILE A 25 8.285 -10.680 -7.080 1.00 0.00 N ATOM 336 CA ILE A 25 9.440 -11.180 -6.363 1.00 0.00 C ATOM 337 C ILE A 25 9.335 -10.701 -4.916 1.00 0.00 C ATOM 338 O ILE A 25 10.055 -9.807 -4.476 1.00 0.00 O ATOM 339 CB ILE A 25 10.724 -10.777 -7.110 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.006 -11.255 -6.417 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.832 -9.270 -7.381 1.00 0.00 C ATOM 342 CD1 ILE A 25 12.063 -12.773 -6.222 1.00 0.00 C ATOM 0 H ILE A 25 8.443 -9.792 -7.557 1.00 0.00 H new ATOM 0 HA ILE A 25 9.478 -12.269 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 25 10.633 -11.291 -8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.867 -10.939 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.088 -10.768 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.762 -9.061 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.987 -8.948 -7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.824 -8.729 -6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.996 -13.041 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.221 -13.093 -5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.013 -13.267 -7.193 1.00 0.00 H new ATOM 354 N LYS A 26 8.447 -11.337 -4.152 1.00 0.00 N ATOM 355 CA LYS A 26 8.167 -11.010 -2.755 1.00 0.00 C ATOM 356 C LYS A 26 9.403 -10.976 -1.834 1.00 0.00 C ATOM 357 O LYS A 26 9.272 -10.643 -0.659 1.00 0.00 O ATOM 358 CB LYS A 26 7.099 -11.971 -2.211 1.00 0.00 C ATOM 359 CG LYS A 26 5.754 -11.788 -2.930 1.00 0.00 C ATOM 360 CD LYS A 26 4.680 -12.765 -2.433 1.00 0.00 C ATOM 361 CE LYS A 26 4.347 -12.560 -0.949 1.00 0.00 C ATOM 362 NZ LYS A 26 3.136 -13.305 -0.565 1.00 0.00 N ATOM 0 H LYS A 26 7.887 -12.116 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 26 7.798 -9.985 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.439 -13.000 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.967 -11.802 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.405 -10.766 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.898 -11.926 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.775 -12.639 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.023 -13.788 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.187 -12.887 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.202 -11.498 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.936 -13.147 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.330 -12.975 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.285 -14.320 -0.733 1.00 0.00 H new ATOM 376 N SER A 27 10.598 -11.310 -2.332 1.00 0.00 N ATOM 377 CA SER A 27 11.829 -11.239 -1.567 1.00 0.00 C ATOM 378 C SER A 27 12.181 -9.783 -1.250 1.00 0.00 C ATOM 379 O SER A 27 12.805 -9.516 -0.227 1.00 0.00 O ATOM 380 CB SER A 27 12.950 -11.897 -2.376 1.00 0.00 C ATOM 381 OG SER A 27 12.483 -13.108 -2.942 1.00 0.00 O ATOM 0 H SER A 27 10.730 -11.640 -3.288 1.00 0.00 H new ATOM 0 HA SER A 27 11.702 -11.765 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.287 -11.223 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.809 -12.092 -1.734 1.00 0.00 H new ATOM 0 HG SER A 27 13.202 -13.526 -3.460 1.00 0.00 H new ATOM 387 N VAL A 28 11.818 -8.854 -2.144 1.00 0.00 N ATOM 388 CA VAL A 28 12.078 -7.428 -1.979 1.00 0.00 C ATOM 389 C VAL A 28 10.787 -6.671 -1.706 1.00 0.00 C ATOM 390 O VAL A 28 9.701 -7.125 -2.060 1.00 0.00 O ATOM 391 CB VAL A 28 12.715 -6.824 -3.250 1.00 0.00 C ATOM 392 CG1 VAL A 28 14.243 -6.801 -3.140 1.00 0.00 C ATOM 393 CG2 VAL A 28 12.300 -7.482 -4.561 1.00 0.00 C ATOM 0 H VAL A 28 11.330 -9.080 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 28 12.762 -7.329 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 28 12.322 -5.808 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.667 -6.371 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.537 -6.197 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.614 -7.818 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.801 -6.986 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.581 -8.535 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.220 -7.396 -4.685 1.00 0.00 H new ATOM 403 N ARG A 29 10.922 -5.471 -1.139 1.00 0.00 N ATOM 404 CA ARG A 29 9.850 -4.502 -1.023 1.00 0.00 C ATOM 405 C ARG A 29 10.296 -3.301 -1.856 1.00 0.00 C ATOM 406 O ARG A 29 11.487 -2.985 -1.899 1.00 0.00 O ATOM 407 CB ARG A 29 9.484 -4.202 0.440 1.00 0.00 C ATOM 408 CG ARG A 29 10.656 -3.881 1.360 1.00 0.00 C ATOM 409 CD ARG A 29 10.158 -3.407 2.737 1.00 0.00 C ATOM 410 NE ARG A 29 9.126 -4.282 3.317 1.00 0.00 N ATOM 411 CZ ARG A 29 9.329 -5.500 3.834 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.554 -6.034 3.863 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.287 -6.175 4.326 1.00 0.00 N ATOM 0 H ARG A 29 11.803 -5.146 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 29 8.903 -4.875 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.791 -3.361 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.952 -5.062 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.283 -4.765 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.278 -3.108 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.004 -3.352 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.757 -2.398 2.643 1.00 0.00 H new ATOM 0 HE ARG A 29 8.169 -3.928 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.347 -5.513 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.696 -6.963 4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.355 -5.761 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.423 -7.104 4.724 1.00 0.00 H new ATOM 427 N VAL A 30 9.358 -2.701 -2.589 1.00 0.00 N ATOM 428 CA VAL A 30 9.598 -1.615 -3.523 1.00 0.00 C ATOM 429 C VAL A 30 8.610 -0.485 -3.256 1.00 0.00 C ATOM 430 O VAL A 30 7.572 -0.670 -2.608 1.00 0.00 O ATOM 431 CB VAL A 30 9.441 -2.107 -4.980 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.548 -3.086 -5.395 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.057 -2.723 -5.233 1.00 0.00 C ATOM 0 H VAL A 30 8.376 -2.972 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 30 10.617 -1.253 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 30 9.538 -1.219 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.389 -3.399 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.518 -2.596 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.525 -3.959 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.990 -3.055 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.911 -3.575 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.286 -1.977 -5.041 1.00 0.00 H new ATOM 443 N CYS A 31 8.936 0.695 -3.782 1.00 0.00 N ATOM 444 CA CYS A 31 8.052 1.842 -3.726 1.00 0.00 C ATOM 445 C CYS A 31 6.853 1.521 -4.605 1.00 0.00 C ATOM 446 O CYS A 31 6.898 1.667 -5.824 1.00 0.00 O ATOM 447 CB CYS A 31 8.781 3.109 -4.168 1.00 0.00 C ATOM 448 SG CYS A 31 10.042 3.669 -3.005 1.00 0.00 S ATOM 0 H CYS A 31 9.821 0.875 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 31 7.716 2.036 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.248 2.929 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.051 3.906 -4.309 1.00 0.00 H new ATOM 453 N THR A 32 5.778 1.078 -3.963 1.00 0.00 N ATOM 454 CA THR A 32 4.569 0.600 -4.597 1.00 0.00 C ATOM 455 C THR A 32 3.552 1.746 -4.583 1.00 0.00 C ATOM 456 O THR A 32 3.474 2.456 -3.579 1.00 0.00 O ATOM 457 CB THR A 32 4.088 -0.614 -3.789 1.00 0.00 C ATOM 458 OG1 THR A 32 5.122 -1.578 -3.725 1.00 0.00 O ATOM 459 CG2 THR A 32 2.852 -1.279 -4.398 1.00 0.00 C ATOM 0 H THR A 32 5.730 1.043 -2.945 1.00 0.00 H new ATOM 0 HA THR A 32 4.719 0.294 -5.632 1.00 0.00 H new ATOM 0 HB THR A 32 3.822 -0.247 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.864 -1.227 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.558 -2.131 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.034 -0.560 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.083 -1.621 -5.407 1.00 0.00 H new ATOM 467 N PRO A 33 2.820 1.991 -5.685 1.00 0.00 N ATOM 468 CA PRO A 33 1.819 3.046 -5.757 1.00 0.00 C ATOM 469 C PRO A 33 0.824 3.006 -4.601 1.00 0.00 C ATOM 470 O PRO A 33 0.478 1.926 -4.121 1.00 0.00 O ATOM 471 CB PRO A 33 1.097 2.835 -7.090 1.00 0.00 C ATOM 472 CG PRO A 33 2.182 2.217 -7.967 1.00 0.00 C ATOM 473 CD PRO A 33 2.959 1.344 -6.982 1.00 0.00 C ATOM 0 HA PRO A 33 2.298 4.022 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.237 2.174 -6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.728 3.774 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.758 1.629 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.817 2.978 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.559 0.330 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.007 1.267 -7.270 1.00 0.00 H new ATOM 481 N VAL A 34 0.361 4.179 -4.153 1.00 0.00 N ATOM 482 CA VAL A 34 -0.699 4.231 -3.152 1.00 0.00 C ATOM 483 C VAL A 34 -1.922 3.476 -3.694 1.00 0.00 C ATOM 484 O VAL A 34 -2.190 3.485 -4.901 1.00 0.00 O ATOM 485 CB VAL A 34 -1.064 5.674 -2.757 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.082 6.262 -1.739 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.155 6.609 -3.964 1.00 0.00 C ATOM 0 H VAL A 34 0.700 5.089 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.342 3.753 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.050 5.604 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.381 7.281 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.087 5.653 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.921 6.272 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.415 7.613 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.194 6.636 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.921 6.246 -4.649 1.00 0.00 H new ATOM 497 N GLY A 35 -2.658 2.818 -2.796 1.00 0.00 N ATOM 498 CA GLY A 35 -3.820 2.018 -3.131 1.00 0.00 C ATOM 499 C GLY A 35 -4.776 2.827 -4.004 1.00 0.00 C ATOM 500 O GLY A 35 -5.344 3.827 -3.565 1.00 0.00 O ATOM 0 H GLY A 35 -2.452 2.832 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.511 1.115 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.327 1.699 -2.220 1.00 0.00 H new ATOM 504 N THR A 36 -4.926 2.406 -5.256 1.00 0.00 N ATOM 505 CA THR A 36 -5.705 3.100 -6.264 1.00 0.00 C ATOM 506 C THR A 36 -7.083 2.438 -6.371 1.00 0.00 C ATOM 507 O THR A 36 -7.266 1.320 -5.899 1.00 0.00 O ATOM 508 CB THR A 36 -4.915 3.042 -7.585 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.536 2.789 -7.345 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.045 4.347 -8.374 1.00 0.00 C ATOM 0 H THR A 36 -4.495 1.549 -5.602 1.00 0.00 H new ATOM 0 HA THR A 36 -5.871 4.146 -6.007 1.00 0.00 H new ATOM 0 HB THR A 36 -5.340 2.226 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.056 2.755 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.475 4.271 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.094 4.528 -8.607 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.658 5.173 -7.777 1.00 0.00 H new ATOM 518 N SER A 37 -8.059 3.126 -6.965 1.00 0.00 N ATOM 519 CA SER A 37 -9.433 2.670 -7.113 1.00 0.00 C ATOM 520 C SER A 37 -9.531 1.196 -7.523 1.00 0.00 C ATOM 521 O SER A 37 -9.120 0.840 -8.625 1.00 0.00 O ATOM 522 CB SER A 37 -10.095 3.576 -8.155 1.00 0.00 C ATOM 523 OG SER A 37 -9.676 4.913 -7.932 1.00 0.00 O ATOM 0 H SER A 37 -7.904 4.049 -7.370 1.00 0.00 H new ATOM 0 HA SER A 37 -9.942 2.734 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.821 3.257 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.180 3.504 -8.083 1.00 0.00 H new ATOM 0 HG SER A 37 -10.093 5.501 -8.595 1.00 0.00 H new ATOM 529 N GLY A 38 -10.066 0.345 -6.643 1.00 0.00 N ATOM 530 CA GLY A 38 -10.259 -1.075 -6.907 1.00 0.00 C ATOM 531 C GLY A 38 -9.102 -1.953 -6.427 1.00 0.00 C ATOM 532 O GLY A 38 -9.290 -3.157 -6.261 1.00 0.00 O ATOM 0 H GLY A 38 -10.380 0.632 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.178 -1.404 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.394 -1.221 -7.979 1.00 0.00 H new ATOM 536 N GLU A 39 -7.911 -1.390 -6.202 1.00 0.00 N ATOM 537 CA GLU A 39 -6.769 -2.163 -5.734 1.00 0.00 C ATOM 538 C GLU A 39 -7.024 -2.663 -4.311 1.00 0.00 C ATOM 539 O GLU A 39 -7.745 -2.026 -3.541 1.00 0.00 O ATOM 540 CB GLU A 39 -5.487 -1.319 -5.785 1.00 0.00 C ATOM 541 CG GLU A 39 -5.156 -0.823 -7.201 1.00 0.00 C ATOM 542 CD GLU A 39 -4.916 -1.971 -8.177 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.036 -2.803 -7.867 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.618 -1.999 -9.210 1.00 0.00 O ATOM 0 H GLU A 39 -7.718 -0.398 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.637 -3.023 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.595 -0.462 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.653 -1.911 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.975 -0.204 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.269 -0.190 -7.164 1.00 0.00 H new ATOM 551 N ASP A 40 -6.426 -3.807 -3.968 1.00 0.00 N ATOM 552 CA ASP A 40 -6.522 -4.407 -2.649 1.00 0.00 C ATOM 553 C ASP A 40 -5.822 -3.519 -1.621 1.00 0.00 C ATOM 554 O ASP A 40 -4.845 -2.843 -1.945 1.00 0.00 O ATOM 555 CB ASP A 40 -5.944 -5.830 -2.663 1.00 0.00 C ATOM 556 CG ASP A 40 -4.472 -5.924 -3.061 1.00 0.00 C ATOM 557 OD1 ASP A 40 -4.090 -5.241 -4.037 1.00 0.00 O ATOM 558 OD2 ASP A 40 -3.763 -6.718 -2.407 1.00 0.00 O ATOM 0 H ASP A 40 -5.853 -4.347 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.571 -4.486 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.065 -6.265 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.531 -6.438 -3.352 1.00 0.00 H new ATOM 563 N CYS A 41 -6.318 -3.518 -0.383 1.00 0.00 N ATOM 564 CA CYS A 41 -5.791 -2.694 0.695 1.00 0.00 C ATOM 565 C CYS A 41 -5.903 -3.414 2.025 1.00 0.00 C ATOM 566 O CYS A 41 -6.773 -4.261 2.214 1.00 0.00 O ATOM 567 CB CYS A 41 -6.555 -1.374 0.771 1.00 0.00 C ATOM 568 SG CYS A 41 -8.304 -1.537 1.190 1.00 0.00 S ATOM 0 H CYS A 41 -7.108 -4.099 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.740 -2.496 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.076 -0.735 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.471 -0.866 -0.190 1.00 0.00 H new ATOM 573 N HIS A 42 -5.021 -3.052 2.955 1.00 0.00 N ATOM 574 CA HIS A 42 -5.010 -3.594 4.297 1.00 0.00 C ATOM 575 C HIS A 42 -5.701 -2.570 5.194 1.00 0.00 C ATOM 576 O HIS A 42 -5.306 -1.402 5.166 1.00 0.00 O ATOM 577 CB HIS A 42 -3.560 -3.814 4.739 1.00 0.00 C ATOM 578 CG HIS A 42 -3.446 -4.683 5.955 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.097 -4.385 7.151 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.800 -5.880 6.082 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.812 -5.417 7.952 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.035 -6.338 7.361 1.00 0.00 N ATOM 0 H HIS A 42 -4.287 -2.364 2.787 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.527 -4.552 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.001 -4.268 3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.098 -2.848 4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.214 -6.375 5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.169 -5.501 8.968 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.688 -7.203 7.775 1.00 0.00 H new ATOM 590 N PRO A 43 -6.713 -2.941 5.991 1.00 0.00 N ATOM 591 CA PRO A 43 -7.380 -1.985 6.860 1.00 0.00 C ATOM 592 C PRO A 43 -6.394 -1.293 7.811 1.00 0.00 C ATOM 593 O PRO A 43 -6.661 -0.177 8.247 1.00 0.00 O ATOM 594 CB PRO A 43 -8.466 -2.775 7.597 1.00 0.00 C ATOM 595 CG PRO A 43 -7.990 -4.226 7.514 1.00 0.00 C ATOM 596 CD PRO A 43 -7.253 -4.278 6.177 1.00 0.00 C ATOM 0 HA PRO A 43 -7.824 -1.168 6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.566 -2.446 8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.441 -2.647 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.333 -4.482 8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.825 -4.926 7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.460 -5.025 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.928 -4.547 5.365 1.00 0.00 H new ATOM 604 N ALA A 44 -5.253 -1.927 8.115 1.00 0.00 N ATOM 605 CA ALA A 44 -4.227 -1.368 8.982 1.00 0.00 C ATOM 606 C ALA A 44 -3.039 -0.791 8.197 1.00 0.00 C ATOM 607 O ALA A 44 -1.967 -0.653 8.782 1.00 0.00 O ATOM 608 CB ALA A 44 -3.766 -2.452 9.961 1.00 0.00 C ATOM 0 H ALA A 44 -5.021 -2.854 7.757 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.659 -0.530 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.996 -2.046 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.614 -2.786 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.360 -3.296 9.404 1.00 0.00 H new ATOM 614 N SER A 45 -3.192 -0.454 6.905 1.00 0.00 N ATOM 615 CA SER A 45 -2.121 0.141 6.113 1.00 0.00 C ATOM 616 C SER A 45 -1.498 1.319 6.871 1.00 0.00 C ATOM 617 O SER A 45 -2.152 2.343 7.057 1.00 0.00 O ATOM 618 CB SER A 45 -2.677 0.637 4.776 1.00 0.00 C ATOM 619 OG SER A 45 -3.074 -0.429 3.939 1.00 0.00 O ATOM 0 H SER A 45 -4.061 -0.589 6.389 1.00 0.00 H new ATOM 0 HA SER A 45 -1.357 -0.615 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.529 1.291 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.920 1.234 4.268 1.00 0.00 H new ATOM 0 HG SER A 45 -3.923 -0.798 4.260 1.00 0.00 H new ATOM 625 N HIS A 46 -0.233 1.188 7.283 1.00 0.00 N ATOM 626 CA HIS A 46 0.436 2.194 8.104 1.00 0.00 C ATOM 627 C HIS A 46 0.399 3.570 7.461 1.00 0.00 C ATOM 628 O HIS A 46 0.571 3.689 6.245 1.00 0.00 O ATOM 629 CB HIS A 46 1.901 1.846 8.385 1.00 0.00 C ATOM 630 CG HIS A 46 2.183 0.380 8.398 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.443 -0.327 7.220 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.053 -0.486 9.440 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.530 -1.599 7.626 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.305 -1.748 8.944 1.00 0.00 N ATOM 0 H HIS A 46 0.352 0.384 7.056 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.119 2.206 9.042 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.528 2.320 7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.187 2.269 9.348 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.801 -0.233 10.459 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.757 -2.421 6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.318 -2.621 9.472 1.00 0.00 H new ATOM 642 N LYS A 47 0.256 4.597 8.290 1.00 0.00 N ATOM 643 CA LYS A 47 0.224 5.969 7.809 1.00 0.00 C ATOM 644 C LYS A 47 1.544 6.335 7.127 1.00 0.00 C ATOM 645 O LYS A 47 2.592 5.772 7.439 1.00 0.00 O ATOM 646 CB LYS A 47 -0.102 6.933 8.955 1.00 0.00 C ATOM 647 CG LYS A 47 -1.489 6.686 9.567 1.00 0.00 C ATOM 648 CD LYS A 47 -2.598 6.776 8.507 1.00 0.00 C ATOM 649 CE LYS A 47 -3.982 6.924 9.148 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.325 5.757 9.981 1.00 0.00 N ATOM 0 H LYS A 47 0.160 4.503 9.301 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.567 6.058 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.655 6.835 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.050 7.958 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.511 5.702 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.676 7.417 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.407 7.626 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.579 5.882 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.005 7.827 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.733 7.047 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.282 5.878 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.294 4.895 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.642 5.674 10.761 1.00 0.00 H new ATOM 664 N ILE A 48 1.474 7.247 6.157 1.00 0.00 N ATOM 665 CA ILE A 48 2.635 7.738 5.421 1.00 0.00 C ATOM 666 C ILE A 48 3.169 8.960 6.183 1.00 0.00 C ATOM 667 O ILE A 48 2.357 9.780 6.611 1.00 0.00 O ATOM 668 CB ILE A 48 2.223 8.117 3.979 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.513 6.936 3.293 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.436 8.564 3.147 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.127 7.204 1.836 1.00 0.00 C ATOM 0 H ILE A 48 0.596 7.670 5.858 1.00 0.00 H new ATOM 0 HA ILE A 48 3.409 6.974 5.347 1.00 0.00 H new ATOM 0 HB ILE A 48 1.531 8.957 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.164 6.062 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.614 6.689 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.111 8.823 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.897 9.434 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.162 7.752 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.632 6.325 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.450 8.057 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.024 7.421 1.256 1.00 0.00 H new ATOM 683 N PRO A 49 4.491 9.140 6.341 1.00 0.00 N ATOM 684 CA PRO A 49 5.560 8.237 5.946 1.00 0.00 C ATOM 685 C PRO A 49 5.812 7.194 7.039 1.00 0.00 C ATOM 686 O PRO A 49 6.013 7.540 8.203 1.00 0.00 O ATOM 687 CB PRO A 49 6.781 9.142 5.766 1.00 0.00 C ATOM 688 CG PRO A 49 6.564 10.241 6.807 1.00 0.00 C ATOM 689 CD PRO A 49 5.041 10.382 6.863 1.00 0.00 C ATOM 0 HA PRO A 49 5.323 7.681 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.711 8.601 5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.834 9.550 4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.978 9.963 7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.043 11.174 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.705 10.556 7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.708 11.233 6.269 1.00 0.00 H new ATOM 697 N PHE A 50 5.878 5.919 6.660 1.00 0.00 N ATOM 698 CA PHE A 50 6.155 4.829 7.577 1.00 0.00 C ATOM 699 C PHE A 50 7.641 4.504 7.469 1.00 0.00 C ATOM 700 O PHE A 50 8.096 3.826 6.544 1.00 0.00 O ATOM 701 CB PHE A 50 5.302 3.611 7.228 1.00 0.00 C ATOM 702 CG PHE A 50 5.461 2.460 8.203 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.908 2.549 9.493 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.193 1.318 7.837 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.017 1.465 10.383 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.284 0.225 8.717 1.00 0.00 C ATOM 707 CZ PHE A 50 5.690 0.296 9.988 1.00 0.00 C ATOM 0 H PHE A 50 5.738 5.617 5.696 1.00 0.00 H new ATOM 0 HA PHE A 50 5.908 5.114 8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.254 3.908 7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.565 3.268 6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.399 3.451 9.801 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.687 1.280 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.583 1.531 11.370 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.810 -0.669 8.416 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.750 -0.547 10.661 1.00 0.00 H new ATOM 717 N SER A 51 8.406 5.020 8.431 1.00 0.00 N ATOM 718 CA SER A 51 9.843 4.819 8.510 1.00 0.00 C ATOM 719 C SER A 51 10.160 3.411 9.023 1.00 0.00 C ATOM 720 O SER A 51 10.809 3.259 10.055 1.00 0.00 O ATOM 721 CB SER A 51 10.456 5.907 9.397 1.00 0.00 C ATOM 722 OG SER A 51 10.170 7.182 8.851 1.00 0.00 O ATOM 0 H SER A 51 8.034 5.597 9.186 1.00 0.00 H new ATOM 0 HA SER A 51 10.284 4.901 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.055 5.835 10.408 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.534 5.765 9.471 1.00 0.00 H new ATOM 0 HG SER A 51 10.561 7.877 9.420 1.00 0.00 H new ATOM 728 N GLY A 52 9.706 2.382 8.305 1.00 0.00 N ATOM 729 CA GLY A 52 9.935 0.992 8.651 1.00 0.00 C ATOM 730 C GLY A 52 9.594 0.101 7.461 1.00 0.00 C ATOM 731 O GLY A 52 9.049 0.568 6.463 1.00 0.00 O ATOM 0 H GLY A 52 9.159 2.502 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.976 0.846 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.324 0.716 9.511 1.00 0.00 H new ATOM 735 N GLN A 53 9.914 -1.188 7.577 1.00 0.00 N ATOM 736 CA GLN A 53 9.663 -2.178 6.544 1.00 0.00 C ATOM 737 C GLN A 53 8.193 -2.587 6.634 1.00 0.00 C ATOM 738 O GLN A 53 7.804 -3.272 7.579 1.00 0.00 O ATOM 739 CB GLN A 53 10.590 -3.386 6.751 1.00 0.00 C ATOM 740 CG GLN A 53 12.066 -3.099 6.434 1.00 0.00 C ATOM 741 CD GLN A 53 12.740 -2.185 7.454 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.143 -2.630 8.522 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.867 -0.898 7.146 1.00 0.00 N ATOM 0 H GLN A 53 10.362 -1.574 8.408 1.00 0.00 H new ATOM 0 HA GLN A 53 9.866 -1.771 5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.509 -3.721 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.246 -4.207 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.610 -4.043 6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.135 -2.642 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.523 -0.552 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.308 -0.257 7.805 1.00 0.00 H new ATOM 752 N ARG A 54 7.356 -2.147 5.691 1.00 0.00 N ATOM 753 CA ARG A 54 5.944 -2.493 5.726 1.00 0.00 C ATOM 754 C ARG A 54 5.761 -3.989 5.498 1.00 0.00 C ATOM 755 O ARG A 54 6.028 -4.498 4.410 1.00 0.00 O ATOM 756 CB ARG A 54 5.142 -1.721 4.679 1.00 0.00 C ATOM 757 CG ARG A 54 5.173 -0.213 4.934 1.00 0.00 C ATOM 758 CD ARG A 54 4.334 0.494 3.873 1.00 0.00 C ATOM 759 NE ARG A 54 4.170 1.924 4.165 1.00 0.00 N ATOM 760 CZ ARG A 54 3.064 2.449 4.714 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.128 1.658 5.241 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.873 3.766 4.754 1.00 0.00 N ATOM 0 H ARG A 54 7.632 -1.558 4.905 1.00 0.00 H new ATOM 0 HA ARG A 54 5.569 -2.219 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.544 -1.930 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.109 -2.069 4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.784 0.008 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.200 0.152 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.807 0.375 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.354 0.022 3.812 1.00 0.00 H new ATOM 0 HE ARG A 54 4.940 2.553 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.250 0.645 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.290 2.066 5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.574 4.395 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.025 4.146 5.176 1.00 0.00 H new ATOM 776 N MET A 55 5.300 -4.693 6.531 1.00 0.00 N ATOM 777 CA MET A 55 4.968 -6.105 6.436 1.00 0.00 C ATOM 778 C MET A 55 3.764 -6.263 5.501 1.00 0.00 C ATOM 779 O MET A 55 3.687 -7.216 4.729 1.00 0.00 O ATOM 780 CB MET A 55 4.665 -6.649 7.838 1.00 0.00 C ATOM 781 CG MET A 55 5.904 -6.590 8.740 1.00 0.00 C ATOM 782 SD MET A 55 5.629 -7.191 10.424 1.00 0.00 S ATOM 783 CE MET A 55 7.275 -6.919 11.116 1.00 0.00 C ATOM 0 H MET A 55 5.148 -4.295 7.458 1.00 0.00 H new ATOM 0 HA MET A 55 5.803 -6.674 6.027 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.858 -6.071 8.288 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.316 -7.679 7.763 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.700 -7.178 8.283 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.256 -5.559 8.788 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.288 -7.237 12.159 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.007 -7.496 10.551 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.524 -5.860 11.056 1.00 0.00 H new ATOM 793 N HIS A 56 2.819 -5.320 5.580 1.00 0.00 N ATOM 794 CA HIS A 56 1.634 -5.309 4.738 1.00 0.00 C ATOM 795 C HIS A 56 2.045 -5.154 3.275 1.00 0.00 C ATOM 796 O HIS A 56 2.865 -4.302 2.935 1.00 0.00 O ATOM 797 CB HIS A 56 0.672 -4.192 5.160 1.00 0.00 C ATOM 798 CG HIS A 56 0.228 -4.264 6.599 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.230 -3.130 7.263 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.225 -5.320 7.473 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.499 -3.543 8.504 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.241 -4.848 8.682 1.00 0.00 N ATOM 0 H HIS A 56 2.862 -4.541 6.237 1.00 0.00 H new ATOM 0 HA HIS A 56 1.108 -6.256 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.154 -3.230 4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.209 -4.226 4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.531 -6.333 7.255 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.882 -2.897 9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.365 -5.384 9.541 1.00 0.00 H new ATOM 810 N HIS A 57 1.463 -5.988 2.414 1.00 0.00 N ATOM 811 CA HIS A 57 1.768 -6.020 0.993 1.00 0.00 C ATOM 812 C HIS A 57 1.227 -4.792 0.265 1.00 0.00 C ATOM 813 O HIS A 57 1.808 -4.320 -0.708 1.00 0.00 O ATOM 814 CB HIS A 57 1.156 -7.293 0.392 1.00 0.00 C ATOM 815 CG HIS A 57 1.910 -7.834 -0.789 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.893 -9.198 -1.067 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.714 -7.207 -1.703 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.743 -9.336 -2.084 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.348 -8.194 -2.420 1.00 0.00 N ATOM 0 H HIS A 57 0.756 -6.669 2.693 1.00 0.00 H new ATOM 0 HA HIS A 57 2.851 -6.017 0.870 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.110 -8.061 1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.130 -7.083 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.828 -6.141 -1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.924 -10.275 -2.585 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.122 -8.078 -3.074 1.00 0.00 H new ATOM 827 N THR A 58 0.094 -4.278 0.731 1.00 0.00 N ATOM 828 CA THR A 58 -0.624 -3.207 0.076 1.00 0.00 C ATOM 829 C THR A 58 -0.305 -1.874 0.744 1.00 0.00 C ATOM 830 O THR A 58 -0.092 -1.842 1.955 1.00 0.00 O ATOM 831 CB THR A 58 -2.112 -3.531 0.225 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.451 -3.552 1.601 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.440 -4.918 -0.346 1.00 0.00 C ATOM 0 H THR A 58 -0.353 -4.604 1.588 1.00 0.00 H new ATOM 0 HA THR A 58 -0.341 -3.124 -0.973 1.00 0.00 H new ATOM 0 HB THR A 58 -2.673 -2.769 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.121 -4.249 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.505 -5.119 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.183 -4.945 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.865 -5.676 0.186 1.00 0.00 H new ATOM 841 N CYS A 59 -0.378 -0.773 -0.005 1.00 0.00 N ATOM 842 CA CYS A 59 -0.113 0.547 0.490 1.00 0.00 C ATOM 843 C CYS A 59 -1.436 1.224 0.831 1.00 0.00 C ATOM 844 O CYS A 59 -2.487 0.805 0.346 1.00 0.00 O ATOM 845 CB CYS A 59 0.580 1.333 -0.624 1.00 0.00 C ATOM 846 SG CYS A 59 2.328 0.999 -0.877 1.00 0.00 S ATOM 0 H CYS A 59 -0.630 -0.792 -0.993 1.00 0.00 H new ATOM 0 HA CYS A 59 0.515 0.507 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.056 1.133 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.463 2.396 -0.414 1.00 0.00 H new ATOM 851 N PRO A 60 -1.385 2.268 1.670 1.00 0.00 N ATOM 852 CA PRO A 60 -2.547 3.061 2.030 1.00 0.00 C ATOM 853 C PRO A 60 -3.263 3.554 0.778 1.00 0.00 C ATOM 854 O PRO A 60 -2.616 3.847 -0.229 1.00 0.00 O ATOM 855 CB PRO A 60 -2.010 4.256 2.828 1.00 0.00 C ATOM 856 CG PRO A 60 -0.661 3.763 3.341 1.00 0.00 C ATOM 857 CD PRO A 60 -0.176 2.845 2.223 1.00 0.00 C ATOM 0 HA PRO A 60 -3.263 2.476 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.902 5.141 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.677 4.524 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.030 4.588 3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.761 3.229 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.379 3.401 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.492 2.073 2.606 1.00 0.00 H new ATOM 865 N CYS A 61 -4.591 3.646 0.840 1.00 0.00 N ATOM 866 CA CYS A 61 -5.381 4.160 -0.266 1.00 0.00 C ATOM 867 C CYS A 61 -4.978 5.606 -0.536 1.00 0.00 C ATOM 868 O CYS A 61 -4.647 6.340 0.397 1.00 0.00 O ATOM 869 CB CYS A 61 -6.874 4.035 0.038 1.00 0.00 C ATOM 870 SG CYS A 61 -7.458 2.339 0.236 1.00 0.00 S ATOM 0 H CYS A 61 -5.141 3.368 1.653 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.188 3.572 -1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.094 4.590 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.437 4.508 -0.767 1.00 0.00 H new ATOM 875 N ALA A 62 -4.964 6.006 -1.810 1.00 0.00 N ATOM 876 CA ALA A 62 -4.618 7.367 -2.191 1.00 0.00 C ATOM 877 C ALA A 62 -5.483 8.368 -1.407 1.00 0.00 C ATOM 878 O ALA A 62 -6.611 8.031 -1.054 1.00 0.00 O ATOM 879 CB ALA A 62 -4.802 7.540 -3.702 1.00 0.00 C ATOM 0 H ALA A 62 -5.191 5.397 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.574 7.562 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.542 8.560 -3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.154 6.840 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.841 7.343 -3.967 1.00 0.00 H new ATOM 885 N PRO A 63 -5.001 9.597 -1.154 1.00 0.00 N ATOM 886 CA PRO A 63 -5.719 10.616 -0.393 1.00 0.00 C ATOM 887 C PRO A 63 -7.221 10.761 -0.688 1.00 0.00 C ATOM 888 O PRO A 63 -7.982 11.085 0.221 1.00 0.00 O ATOM 889 CB PRO A 63 -4.955 11.917 -0.643 1.00 0.00 C ATOM 890 CG PRO A 63 -3.516 11.425 -0.794 1.00 0.00 C ATOM 891 CD PRO A 63 -3.674 10.084 -1.514 1.00 0.00 C ATOM 0 HA PRO A 63 -5.736 10.320 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.306 12.429 -1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.061 12.617 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.911 12.123 -1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.028 11.307 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.581 10.206 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.901 9.380 -1.205 1.00 0.00 H new ATOM 899 N ASN A 64 -7.660 10.524 -1.931 1.00 0.00 N ATOM 900 CA ASN A 64 -9.065 10.648 -2.321 1.00 0.00 C ATOM 901 C ASN A 64 -9.773 9.287 -2.336 1.00 0.00 C ATOM 902 O ASN A 64 -10.748 9.121 -3.065 1.00 0.00 O ATOM 903 CB ASN A 64 -9.169 11.300 -3.710 1.00 0.00 C ATOM 904 CG ASN A 64 -8.511 12.668 -3.815 1.00 0.00 C ATOM 905 OD1 ASN A 64 -8.276 13.358 -2.829 1.00 0.00 O ATOM 906 ND2 ASN A 64 -8.184 13.061 -5.041 1.00 0.00 N ATOM 0 H ASN A 64 -7.046 10.240 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.559 11.276 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.715 10.635 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.222 11.396 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.724 13.960 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.393 12.464 -5.841 1.00 0.00 H new ATOM 913 N LEU A 65 -9.286 8.298 -1.580 1.00 0.00 N ATOM 914 CA LEU A 65 -9.853 6.956 -1.518 1.00 0.00 C ATOM 915 C LEU A 65 -9.782 6.434 -0.080 1.00 0.00 C ATOM 916 O LEU A 65 -8.980 6.921 0.715 1.00 0.00 O ATOM 917 CB LEU A 65 -9.056 6.021 -2.437 1.00 0.00 C ATOM 918 CG LEU A 65 -9.120 6.348 -3.935 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.113 5.467 -4.675 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.508 6.069 -4.512 1.00 0.00 C ATOM 0 H LEU A 65 -8.468 8.416 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.893 6.989 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.012 6.037 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.417 5.003 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.894 7.407 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.149 5.690 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.110 5.664 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.361 4.418 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.516 6.312 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.752 5.015 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.247 6.681 -3.994 1.00 0.00 H new ATOM 932 N ALA A 66 -10.608 5.436 0.251 1.00 0.00 N ATOM 933 CA ALA A 66 -10.669 4.810 1.568 1.00 0.00 C ATOM 934 C ALA A 66 -10.655 3.289 1.424 1.00 0.00 C ATOM 935 O ALA A 66 -11.230 2.747 0.480 1.00 0.00 O ATOM 936 CB ALA A 66 -11.934 5.258 2.305 1.00 0.00 C ATOM 0 H ALA A 66 -11.270 5.033 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.798 5.118 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.970 4.785 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.921 6.341 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.813 4.967 1.730 1.00 0.00 H new ATOM 942 N CYS A 67 -9.994 2.603 2.362 1.00 0.00 N ATOM 943 CA CYS A 67 -9.904 1.148 2.376 1.00 0.00 C ATOM 944 C CYS A 67 -11.196 0.584 2.958 1.00 0.00 C ATOM 945 O CYS A 67 -11.504 0.872 4.113 1.00 0.00 O ATOM 946 CB CYS A 67 -8.699 0.699 3.215 1.00 0.00 C ATOM 947 SG CYS A 67 -8.458 -1.089 3.212 1.00 0.00 S ATOM 0 H CYS A 67 -9.504 3.050 3.137 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.767 0.777 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.799 1.181 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.832 1.040 4.242 1.00 0.00 H new ATOM 952 N VAL A 68 -11.964 -0.188 2.182 1.00 0.00 N ATOM 953 CA VAL A 68 -13.254 -0.708 2.619 1.00 0.00 C ATOM 954 C VAL A 68 -13.456 -2.144 2.152 1.00 0.00 C ATOM 955 O VAL A 68 -12.897 -2.570 1.142 1.00 0.00 O ATOM 956 CB VAL A 68 -14.367 0.248 2.165 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.352 0.511 0.654 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.766 -0.180 2.604 1.00 0.00 C ATOM 0 H VAL A 68 -11.705 -0.467 1.236 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.287 -0.752 3.708 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.135 1.181 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.162 1.193 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.398 0.956 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.486 -0.430 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.497 0.545 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.994 -1.161 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.807 -0.229 3.692 1.00 0.00 H new ATOM 968 N GLN A 69 -14.244 -2.899 2.920 1.00 0.00 N ATOM 969 CA GLN A 69 -14.498 -4.304 2.655 1.00 0.00 C ATOM 970 C GLN A 69 -15.564 -4.557 1.587 1.00 0.00 C ATOM 971 O GLN A 69 -16.646 -3.975 1.618 1.00 0.00 O ATOM 972 CB GLN A 69 -14.702 -5.111 3.946 1.00 0.00 C ATOM 973 CG GLN A 69 -16.003 -4.886 4.722 1.00 0.00 C ATOM 974 CD GLN A 69 -16.291 -3.422 4.969 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.822 -2.829 5.932 1.00 0.00 O ATOM 976 NE2 GLN A 69 -16.965 -2.800 4.018 1.00 0.00 N ATOM 0 H GLN A 69 -14.724 -2.544 3.747 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.585 -4.690 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.639 -6.170 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.869 -4.892 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.832 -5.327 4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.946 -5.407 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.341 -3.328 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.109 -1.792 4.071 1.00 0.00 H new ATOM 985 N THR A 70 -15.257 -5.459 0.656 1.00 0.00 N ATOM 986 CA THR A 70 -16.167 -5.890 -0.400 1.00 0.00 C ATOM 987 C THR A 70 -16.794 -7.217 0.037 1.00 0.00 C ATOM 988 O THR A 70 -17.957 -7.497 -0.247 1.00 0.00 O ATOM 989 CB THR A 70 -15.422 -5.983 -1.739 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.309 -6.850 -1.660 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.932 -4.600 -2.180 1.00 0.00 C ATOM 0 H THR A 70 -14.348 -5.920 0.615 1.00 0.00 H new ATOM 0 HA THR A 70 -16.968 -5.167 -0.557 1.00 0.00 H new ATOM 0 HB THR A 70 -16.129 -6.381 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.741 -6.586 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.406 -4.686 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.785 -3.932 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.255 -4.197 -1.427 1.00 0.00 H new ATOM 999 N SER A 71 -16.022 -8.043 0.747 1.00 0.00 N ATOM 1000 CA SER A 71 -16.452 -9.260 1.414 1.00 0.00 C ATOM 1001 C SER A 71 -15.399 -9.503 2.506 1.00 0.00 C ATOM 1002 O SER A 71 -14.403 -8.775 2.528 1.00 0.00 O ATOM 1003 CB SER A 71 -16.569 -10.432 0.427 1.00 0.00 C ATOM 1004 OG SER A 71 -16.959 -10.003 -0.864 1.00 0.00 O ATOM 0 H SER A 71 -15.026 -7.865 0.875 1.00 0.00 H new ATOM 0 HA SER A 71 -17.449 -9.168 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.611 -10.949 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.295 -11.152 0.804 1.00 0.00 H new ATOM 0 HG SER A 71 -17.175 -10.783 -1.417 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.581 -10.473 3.416 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.602 -10.760 4.455 1.00 0.00 C ATOM 1012 C PRO A 72 -13.199 -10.906 3.860 1.00 0.00 C ATOM 1013 O PRO A 72 -13.038 -11.574 2.839 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.085 -12.051 5.123 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.601 -11.977 4.935 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.734 -11.349 3.547 1.00 0.00 C ATOM 0 HA PRO A 72 -14.524 -9.951 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.660 -12.936 4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.809 -12.090 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.064 -12.963 4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.076 -11.367 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.740 -12.112 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.666 -10.791 3.454 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.201 -10.248 4.463 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.799 -10.225 4.035 1.00 0.00 C ATOM 1026 C LYS A 73 -10.589 -9.350 2.791 1.00 0.00 C ATOM 1027 O LYS A 73 -9.619 -8.596 2.726 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.228 -11.637 3.814 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.489 -12.577 5.001 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.007 -14.009 4.726 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.634 -14.646 3.475 1.00 0.00 C ATOM 1032 NZ LYS A 73 -12.095 -14.449 3.413 1.00 0.00 N ATOM 0 H LYS A 73 -12.358 -9.691 5.303 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.242 -9.774 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.668 -12.065 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.154 -11.567 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.985 -12.190 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.556 -12.591 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.923 -14.002 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.234 -14.631 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.175 -14.218 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.414 -15.713 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.494 -15.047 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.520 -14.710 4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.302 -13.451 3.208 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.482 -9.448 1.802 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.416 -8.690 0.563 1.00 0.00 C ATOM 1048 C LYS A 74 -11.634 -7.193 0.812 1.00 0.00 C ATOM 1049 O LYS A 74 -12.710 -6.654 0.546 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.431 -9.243 -0.445 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.084 -10.666 -0.892 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.217 -11.320 -1.694 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.662 -10.548 -2.945 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.672 -9.515 -2.642 1.00 0.00 N ATOM 0 H LYS A 74 -12.287 -10.073 1.848 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.417 -8.801 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.425 -9.236 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.469 -8.589 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.179 -10.643 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.864 -11.276 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.898 -12.317 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.079 -11.446 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.793 -10.078 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.070 -11.248 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.249 -9.335 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.284 -9.845 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.195 -8.636 -2.355 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.576 -6.515 1.254 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.551 -5.082 1.496 1.00 0.00 C ATOM 1070 C PHE A 75 -9.921 -4.423 0.275 1.00 0.00 C ATOM 1071 O PHE A 75 -8.835 -4.819 -0.149 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.741 -4.774 2.761 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.552 -4.734 4.040 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.106 -3.516 4.479 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.686 -5.888 4.832 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.785 -3.451 5.707 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.361 -5.823 6.063 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.903 -4.603 6.505 1.00 0.00 C ATOM 0 H PHE A 75 -9.685 -6.968 1.459 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.559 -4.698 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.959 -5.526 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.244 -3.813 2.632 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.009 -2.629 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.270 -6.825 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.216 -2.518 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.464 -6.710 6.670 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.410 -4.551 7.457 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.621 -3.445 -0.311 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.186 -2.740 -1.506 1.00 0.00 C ATOM 1090 C LYS A 76 -10.365 -1.233 -1.333 1.00 0.00 C ATOM 1091 O LYS A 76 -11.151 -0.780 -0.499 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.963 -3.240 -2.731 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.930 -4.768 -2.848 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.445 -5.198 -4.225 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.588 -6.722 -4.288 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.054 -7.159 -5.615 1.00 0.00 N ATOM 0 H LYS A 76 -11.521 -3.121 0.044 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.126 -2.942 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.998 -2.904 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.540 -2.798 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.913 -5.131 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.543 -5.214 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.408 -4.727 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.758 -4.858 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.629 -7.189 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.291 -7.056 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.142 -8.195 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.980 -6.731 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.370 -6.860 -6.339 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.614 -0.454 -2.112 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.672 0.998 -2.063 1.00 0.00 C ATOM 1112 C CYS A 77 -10.854 1.486 -2.884 1.00 0.00 C ATOM 1113 O CYS A 77 -10.887 1.267 -4.096 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.381 1.616 -2.601 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.945 1.390 -1.543 1.00 0.00 S ATOM 0 H CYS A 77 -8.949 -0.818 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.791 1.305 -1.024 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.167 1.184 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.540 2.684 -2.752 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.815 2.145 -2.235 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.979 2.724 -2.889 1.00 0.00 C ATOM 1122 C LEU A 78 -13.050 4.216 -2.571 1.00 0.00 C ATOM 1123 O LEU A 78 -12.094 4.798 -2.063 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.254 1.963 -2.488 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.194 1.705 -3.678 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.637 0.605 -4.594 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.570 1.276 -3.156 1.00 0.00 C ATOM 0 H LEU A 78 -11.802 2.291 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.890 2.625 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.976 1.010 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.787 2.532 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.279 2.626 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.322 0.444 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.664 0.910 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.530 -0.320 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.238 1.093 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.468 0.364 -2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.984 2.066 -2.530 1.00 0.00 H new ATOM 1139 N SER A 79 -14.187 4.829 -2.893 1.00 0.00 N ATOM 1140 CA SER A 79 -14.452 6.249 -2.741 1.00 0.00 C ATOM 1141 C SER A 79 -14.242 6.753 -1.310 1.00 0.00 C ATOM 1142 O SER A 79 -14.311 5.987 -0.350 1.00 0.00 O ATOM 1143 CB SER A 79 -15.891 6.496 -3.209 1.00 0.00 C ATOM 1144 OG SER A 79 -16.709 5.405 -2.817 1.00 0.00 O ATOM 0 H SER A 79 -14.981 4.322 -3.284 1.00 0.00 H new ATOM 0 HA SER A 79 -13.739 6.810 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.271 7.422 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.917 6.614 -4.292 1.00 0.00 H new ATOM 0 HG SER A 79 -17.629 5.563 -3.114 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.021 8.061 -1.197 1.00 0.00 N ATOM 1151 CA LYS A 80 -13.827 8.833 0.011 1.00 0.00 C ATOM 1152 C LYS A 80 -14.250 10.250 -0.384 1.00 0.00 C ATOM 1153 O LYS A 80 -14.327 10.477 -1.615 1.00 0.00 O ATOM 1154 CB LYS A 80 -12.350 8.755 0.413 1.00 0.00 C ATOM 1155 CG LYS A 80 -11.973 9.665 1.586 1.00 0.00 C ATOM 1156 CD LYS A 80 -10.513 9.413 1.987 1.00 0.00 C ATOM 1157 CE LYS A 80 -10.006 10.456 2.988 1.00 0.00 C ATOM 1158 NZ LYS A 80 -9.855 11.780 2.357 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.500 11.061 0.533 1.00 0.00 O ATOM 0 H LYS A 80 -13.970 8.652 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.399 8.480 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.110 7.725 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.736 9.017 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.108 10.710 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.631 9.474 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.423 8.418 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.884 9.429 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.701 10.527 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.048 10.135 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.369 12.424 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.295 11.687 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.794 12.164 2.127 1.00 0.00 H new TER 1173 LYS A 80