USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 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 64 ASN : amide:sc= 0.621 X(o=1.3,f=1.8) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.714 USER MOD Set 2.1: A 45 SER OG : rot 77:sc= 1.96 USER MOD Set 2.2: A 58 THR OG1 : rot 72:sc= 1.44 USER MOD Set 3.1: A 42 HIS : no HD1:sc= -0.147 K(o=-0.62,f=-7.9!) USER MOD Set 3.2: A 46 HIS : no HD1:sc= -0.354 K(o=-0.62,f=-8.3!) USER MOD Set 3.3: A 56 HIS : no HD1:sc= -0.123 K(o=-0.62,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 171:sc= -0.0712 (180deg=-0.171) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 12 GLN : amide:sc= 1.88 K(o=1.9,f=-5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -22:sc= 0.783 USER MOD Single : A 22 SER OG : rot -160:sc= -0.028 USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.364) USER MOD Single : A 27 SER OG : rot -33:sc= 0.621 USER MOD Single : A 32 THR OG1 : rot 65:sc= 0.501 USER MOD Single : A 36 THR OG1 : rot -42:sc= 0.396 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0.264 (180deg=0.245) USER MOD Single : A 51 SER OG : rot -50:sc= 0.554 USER MOD Single : A 53 GLN : amide:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-1.8) USER MOD Single : A 69 GLN : amide:sc= -0.751 X(o=-0.75,f=-1.1) USER MOD Single : A 70 THR OG1 : rot -56:sc= 0.83 USER MOD Single : A 71 SER OG : rot 180:sc= -0.14 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0386) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc=-0.00644 (180deg=-0.143) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.134) USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= 1.13 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.279 8.933 0.249 1.00 0.00 N ATOM 2 CA ALA A 1 15.770 9.428 -1.025 1.00 0.00 C ATOM 3 C ALA A 1 16.363 8.647 -2.206 1.00 0.00 C ATOM 4 O ALA A 1 16.433 9.156 -3.325 1.00 0.00 O ATOM 5 CB ALA A 1 16.067 10.928 -1.133 1.00 0.00 C ATOM 0 H1 ALA A 1 15.982 9.573 1.013 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.901 7.981 0.428 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.318 8.892 0.215 1.00 0.00 H new ATOM 0 HA ALA A 1 14.691 9.277 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.690 11.306 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.579 11.455 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.144 11.091 -1.080 1.00 0.00 H new ATOM 12 N VAL A 2 16.799 7.403 -1.970 1.00 0.00 N ATOM 13 CA VAL A 2 17.364 6.546 -3.004 1.00 0.00 C ATOM 14 C VAL A 2 16.211 6.004 -3.854 1.00 0.00 C ATOM 15 O VAL A 2 15.841 4.834 -3.755 1.00 0.00 O ATOM 16 CB VAL A 2 18.243 5.442 -2.380 1.00 0.00 C ATOM 17 CG1 VAL A 2 18.988 4.655 -3.468 1.00 0.00 C ATOM 18 CG2 VAL A 2 19.286 6.040 -1.425 1.00 0.00 C ATOM 0 H VAL A 2 16.767 6.966 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 2 18.031 7.108 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 2 17.576 4.778 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.601 3.883 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.266 4.190 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.627 5.333 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.891 5.239 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 2 19.929 6.729 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.779 6.577 -0.623 1.00 0.00 H new ATOM 28 N ILE A 3 15.620 6.882 -4.663 1.00 0.00 N ATOM 29 CA ILE A 3 14.505 6.561 -5.536 1.00 0.00 C ATOM 30 C ILE A 3 14.933 5.518 -6.572 1.00 0.00 C ATOM 31 O ILE A 3 15.862 5.744 -7.344 1.00 0.00 O ATOM 32 CB ILE A 3 13.929 7.852 -6.157 1.00 0.00 C ATOM 33 CG1 ILE A 3 12.661 7.532 -6.969 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.948 8.623 -7.014 1.00 0.00 C ATOM 35 CD1 ILE A 3 11.883 8.789 -7.368 1.00 0.00 C ATOM 0 H ILE A 3 15.914 7.857 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 3 13.695 6.110 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 3 13.672 8.512 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 3 12.939 6.981 -7.867 1.00 0.00 H new ATOM 0 HG13 ILE A 3 12.014 6.880 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 3 14.478 9.519 -7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.800 8.908 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 3 15.288 7.989 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.999 8.504 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.578 9.328 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.518 9.431 -7.979 1.00 0.00 H new ATOM 47 N THR A 4 14.271 4.361 -6.570 1.00 0.00 N ATOM 48 CA THR A 4 14.489 3.260 -7.494 1.00 0.00 C ATOM 49 C THR A 4 13.362 2.256 -7.248 1.00 0.00 C ATOM 50 O THR A 4 12.416 2.563 -6.523 1.00 0.00 O ATOM 51 CB THR A 4 15.898 2.647 -7.344 1.00 0.00 C ATOM 52 OG1 THR A 4 16.098 1.651 -8.332 1.00 0.00 O ATOM 53 CG2 THR A 4 16.135 2.020 -5.968 1.00 0.00 C ATOM 0 H THR A 4 13.536 4.162 -5.891 1.00 0.00 H new ATOM 0 HA THR A 4 14.459 3.603 -8.528 1.00 0.00 H new ATOM 0 HB THR A 4 16.605 3.468 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.994 1.267 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.143 1.607 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.022 2.782 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.409 1.224 -5.801 1.00 0.00 H new ATOM 61 N GLY A 5 13.468 1.070 -7.844 1.00 0.00 N ATOM 62 CA GLY A 5 12.482 0.016 -7.695 1.00 0.00 C ATOM 63 C GLY A 5 12.565 -0.599 -6.300 1.00 0.00 C ATOM 64 O GLY A 5 11.664 -0.414 -5.485 1.00 0.00 O ATOM 0 H GLY A 5 14.250 0.817 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.483 0.418 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.647 -0.754 -8.449 1.00 0.00 H new ATOM 68 N ALA A 6 13.646 -1.343 -6.040 1.00 0.00 N ATOM 69 CA ALA A 6 13.876 -2.039 -4.781 1.00 0.00 C ATOM 70 C ALA A 6 14.036 -1.045 -3.634 1.00 0.00 C ATOM 71 O ALA A 6 14.790 -0.076 -3.742 1.00 0.00 O ATOM 72 CB ALA A 6 15.105 -2.943 -4.902 1.00 0.00 C ATOM 0 H ALA A 6 14.397 -1.477 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 6 13.009 -2.661 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.271 -3.460 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.942 -3.675 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.979 -2.338 -5.143 1.00 0.00 H new ATOM 78 N CYS A 7 13.316 -1.278 -2.537 1.00 0.00 N ATOM 79 CA CYS A 7 13.314 -0.370 -1.400 1.00 0.00 C ATOM 80 C CYS A 7 13.286 -1.069 -0.047 1.00 0.00 C ATOM 81 O CYS A 7 12.916 -2.234 0.070 1.00 0.00 O ATOM 82 CB CYS A 7 12.105 0.555 -1.520 1.00 0.00 C ATOM 83 SG CYS A 7 10.561 -0.357 -1.348 1.00 0.00 S ATOM 0 H CYS A 7 12.722 -2.098 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 7 14.252 0.184 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.160 1.329 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.126 1.060 -2.486 1.00 0.00 H new ATOM 88 N GLU A 8 13.653 -0.300 0.980 1.00 0.00 N ATOM 89 CA GLU A 8 13.613 -0.666 2.380 1.00 0.00 C ATOM 90 C GLU A 8 12.468 0.091 3.054 1.00 0.00 C ATOM 91 O GLU A 8 11.692 -0.518 3.786 1.00 0.00 O ATOM 92 CB GLU A 8 14.963 -0.340 3.034 1.00 0.00 C ATOM 93 CG GLU A 8 16.073 -1.278 2.536 1.00 0.00 C ATOM 94 CD GLU A 8 15.814 -2.740 2.895 1.00 0.00 C ATOM 95 OE1 GLU A 8 15.292 -2.969 4.009 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.141 -3.601 2.051 1.00 0.00 O ATOM 0 H GLU A 8 14.005 0.647 0.839 1.00 0.00 H new ATOM 0 HA GLU A 8 13.437 -1.736 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.234 0.693 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.873 -0.424 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.164 -1.184 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.026 -0.966 2.964 1.00 0.00 H new ATOM 103 N ARG A 9 12.339 1.398 2.795 1.00 0.00 N ATOM 104 CA ARG A 9 11.287 2.220 3.381 1.00 0.00 C ATOM 105 C ARG A 9 10.828 3.329 2.432 1.00 0.00 C ATOM 106 O ARG A 9 11.592 3.765 1.566 1.00 0.00 O ATOM 107 CB ARG A 9 11.738 2.788 4.728 1.00 0.00 C ATOM 108 CG ARG A 9 13.081 3.535 4.682 1.00 0.00 C ATOM 109 CD ARG A 9 14.177 2.721 5.376 1.00 0.00 C ATOM 110 NE ARG A 9 13.872 2.563 6.805 1.00 0.00 N ATOM 111 CZ ARG A 9 14.532 1.782 7.669 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.626 1.113 7.287 1.00 0.00 N ATOM 113 NH2 ARG A 9 14.079 1.690 8.922 1.00 0.00 N ATOM 0 H ARG A 9 12.964 1.910 2.172 1.00 0.00 H new ATOM 0 HA ARG A 9 10.423 1.578 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.970 3.467 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.814 1.972 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.362 3.724 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.980 4.506 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.264 1.741 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.139 3.219 5.256 1.00 0.00 H new ATOM 0 HE ARG A 9 13.085 3.098 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.965 1.195 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.121 0.521 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.247 2.209 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.565 1.101 9.598 1.00 0.00 H new ATOM 127 N ASP A 10 9.577 3.773 2.631 1.00 0.00 N ATOM 128 CA ASP A 10 8.858 4.773 1.844 1.00 0.00 C ATOM 129 C ASP A 10 9.757 5.916 1.385 1.00 0.00 C ATOM 130 O ASP A 10 9.759 6.267 0.206 1.00 0.00 O ATOM 131 CB ASP A 10 7.719 5.378 2.681 1.00 0.00 C ATOM 132 CG ASP A 10 6.555 4.455 2.995 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.565 3.264 2.619 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.622 4.957 3.659 1.00 0.00 O ATOM 0 H ASP A 10 9.008 3.416 3.398 1.00 0.00 H new ATOM 0 HA ASP A 10 8.475 4.257 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.137 5.734 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.332 6.250 2.154 1.00 0.00 H new ATOM 139 N LEU A 11 10.499 6.485 2.342 1.00 0.00 N ATOM 140 CA LEU A 11 11.391 7.630 2.188 1.00 0.00 C ATOM 141 C LEU A 11 12.185 7.619 0.881 1.00 0.00 C ATOM 142 O LEU A 11 12.442 8.683 0.325 1.00 0.00 O ATOM 143 CB LEU A 11 12.365 7.704 3.375 1.00 0.00 C ATOM 144 CG LEU A 11 11.709 7.982 4.740 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.787 7.902 5.827 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.064 9.373 4.796 1.00 0.00 C ATOM 0 H LEU A 11 10.489 6.134 3.300 1.00 0.00 H new ATOM 0 HA LEU A 11 10.749 8.511 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.911 6.763 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.098 8.485 3.176 1.00 0.00 H new ATOM 0 HG LEU A 11 10.927 7.239 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.337 8.097 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.232 6.907 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.559 8.645 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.614 9.526 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.825 10.134 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.295 9.448 4.028 1.00 0.00 H new ATOM 158 N GLN A 12 12.591 6.442 0.394 1.00 0.00 N ATOM 159 CA GLN A 12 13.324 6.351 -0.859 1.00 0.00 C ATOM 160 C GLN A 12 12.594 7.028 -2.019 1.00 0.00 C ATOM 161 O GLN A 12 13.230 7.710 -2.819 1.00 0.00 O ATOM 162 CB GLN A 12 13.567 4.883 -1.212 1.00 0.00 C ATOM 163 CG GLN A 12 14.746 4.328 -0.413 1.00 0.00 C ATOM 164 CD GLN A 12 15.017 2.880 -0.790 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.927 2.005 0.065 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.318 2.619 -2.061 1.00 0.00 N ATOM 0 H GLN A 12 12.422 5.546 0.851 1.00 0.00 H new ATOM 0 HA GLN A 12 14.269 6.873 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.671 4.299 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.766 4.788 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.635 4.930 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.534 4.398 0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.382 3.380 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.485 1.658 -2.359 1.00 0.00 H new ATOM 175 N CYS A 13 11.281 6.811 -2.121 1.00 0.00 N ATOM 176 CA CYS A 13 10.464 7.286 -3.234 1.00 0.00 C ATOM 177 C CYS A 13 9.461 8.340 -2.768 1.00 0.00 C ATOM 178 O CYS A 13 9.309 9.380 -3.403 1.00 0.00 O ATOM 179 CB CYS A 13 9.781 6.090 -3.900 1.00 0.00 C ATOM 180 SG CYS A 13 10.918 4.881 -4.626 1.00 0.00 S ATOM 0 H CYS A 13 10.750 6.293 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 13 11.099 7.774 -3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.159 5.586 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.115 6.457 -4.681 1.00 0.00 H new ATOM 185 N GLY A 14 8.782 8.084 -1.649 1.00 0.00 N ATOM 186 CA GLY A 14 7.861 9.029 -1.044 1.00 0.00 C ATOM 187 C GLY A 14 6.576 9.262 -1.843 1.00 0.00 C ATOM 188 O GLY A 14 6.128 8.404 -2.608 1.00 0.00 O ATOM 0 H GLY A 14 8.861 7.205 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.596 8.672 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.372 9.983 -0.915 1.00 0.00 H new ATOM 192 N LYS A 15 6.011 10.463 -1.648 1.00 0.00 N ATOM 193 CA LYS A 15 4.731 10.946 -2.144 1.00 0.00 C ATOM 194 C LYS A 15 4.438 10.471 -3.567 1.00 0.00 C ATOM 195 O LYS A 15 5.052 10.917 -4.533 1.00 0.00 O ATOM 196 CB LYS A 15 4.709 12.480 -2.040 1.00 0.00 C ATOM 197 CG LYS A 15 3.321 13.066 -2.344 1.00 0.00 C ATOM 198 CD LYS A 15 3.325 14.601 -2.346 1.00 0.00 C ATOM 199 CE LYS A 15 3.639 15.196 -0.968 1.00 0.00 C ATOM 200 NZ LYS A 15 3.496 16.663 -0.974 1.00 0.00 N ATOM 0 H LYS A 15 6.485 11.175 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 15 3.936 10.527 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.015 12.778 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.438 12.899 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.981 12.704 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.607 12.708 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.061 14.957 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.352 14.962 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.970 14.766 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.655 14.928 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.715 17.037 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.152 17.073 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.520 16.916 -1.229 1.00 0.00 H new ATOM 214 N GLY A 16 3.458 9.573 -3.655 1.00 0.00 N ATOM 215 CA GLY A 16 3.011 8.927 -4.881 1.00 0.00 C ATOM 216 C GLY A 16 3.169 7.414 -4.752 1.00 0.00 C ATOM 217 O GLY A 16 2.482 6.649 -5.430 1.00 0.00 O ATOM 0 H GLY A 16 2.933 9.265 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.969 9.178 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.591 9.292 -5.728 1.00 0.00 H new ATOM 221 N THR A 17 4.073 6.975 -3.875 1.00 0.00 N ATOM 222 CA THR A 17 4.347 5.574 -3.637 1.00 0.00 C ATOM 223 C THR A 17 4.576 5.330 -2.143 1.00 0.00 C ATOM 224 O THR A 17 4.632 6.275 -1.356 1.00 0.00 O ATOM 225 CB THR A 17 5.635 5.203 -4.403 1.00 0.00 C ATOM 226 OG1 THR A 17 6.723 5.957 -3.900 1.00 0.00 O ATOM 227 CG2 THR A 17 5.566 5.457 -5.912 1.00 0.00 C ATOM 0 H THR A 17 4.641 7.602 -3.305 1.00 0.00 H new ATOM 0 HA THR A 17 3.503 4.970 -3.972 1.00 0.00 H new ATOM 0 HB THR A 17 5.762 4.131 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.385 6.761 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.511 5.170 -6.373 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.757 4.867 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.380 6.515 -6.095 1.00 0.00 H new ATOM 235 N CYS A 18 4.692 4.060 -1.759 1.00 0.00 N ATOM 236 CA CYS A 18 5.150 3.622 -0.450 1.00 0.00 C ATOM 237 C CYS A 18 6.019 2.385 -0.697 1.00 0.00 C ATOM 238 O CYS A 18 5.894 1.750 -1.747 1.00 0.00 O ATOM 239 CB CYS A 18 3.988 3.351 0.509 1.00 0.00 C ATOM 240 SG CYS A 18 3.508 1.618 0.616 1.00 0.00 S ATOM 0 H CYS A 18 4.460 3.282 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 18 5.728 4.402 0.046 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.263 3.702 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.125 3.936 0.191 1.00 0.00 H new ATOM 245 N CYS A 19 6.901 2.028 0.233 1.00 0.00 N ATOM 246 CA CYS A 19 7.778 0.879 0.060 1.00 0.00 C ATOM 247 C CYS A 19 7.103 -0.382 0.586 1.00 0.00 C ATOM 248 O CYS A 19 7.050 -0.568 1.801 1.00 0.00 O ATOM 249 CB CYS A 19 9.084 1.118 0.801 1.00 0.00 C ATOM 250 SG CYS A 19 10.146 -0.322 0.675 1.00 0.00 S ATOM 0 H CYS A 19 7.026 2.522 1.117 1.00 0.00 H new ATOM 0 HA CYS A 19 7.986 0.746 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.591 1.989 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.880 1.337 1.849 1.00 0.00 H new ATOM 255 N ALA A 20 6.606 -1.251 -0.301 1.00 0.00 N ATOM 256 CA ALA A 20 5.843 -2.439 0.078 1.00 0.00 C ATOM 257 C ALA A 20 6.483 -3.728 -0.439 1.00 0.00 C ATOM 258 O ALA A 20 7.399 -3.686 -1.257 1.00 0.00 O ATOM 259 CB ALA A 20 4.423 -2.279 -0.462 1.00 0.00 C ATOM 0 H ALA A 20 6.724 -1.146 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 20 5.831 -2.524 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.831 -3.154 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.969 -1.387 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.455 -2.183 -1.547 1.00 0.00 H new ATOM 265 N VAL A 21 6.010 -4.881 0.046 1.00 0.00 N ATOM 266 CA VAL A 21 6.500 -6.188 -0.388 1.00 0.00 C ATOM 267 C VAL A 21 6.141 -6.396 -1.870 1.00 0.00 C ATOM 268 O VAL A 21 5.230 -5.743 -2.377 1.00 0.00 O ATOM 269 CB VAL A 21 5.925 -7.296 0.528 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.460 -8.693 0.184 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.289 -7.032 1.997 1.00 0.00 C ATOM 0 H VAL A 21 5.275 -4.931 0.752 1.00 0.00 H new ATOM 0 HA VAL A 21 7.585 -6.238 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 21 4.847 -7.270 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.021 -9.427 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.195 -8.941 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.545 -8.704 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.875 -7.823 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.373 -7.014 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.877 -6.071 2.307 1.00 0.00 H new ATOM 281 N SER A 22 6.844 -7.287 -2.580 1.00 0.00 N ATOM 282 CA SER A 22 6.546 -7.641 -3.961 1.00 0.00 C ATOM 283 C SER A 22 5.552 -8.815 -3.991 1.00 0.00 C ATOM 284 O SER A 22 5.654 -9.733 -3.178 1.00 0.00 O ATOM 285 CB SER A 22 7.865 -7.995 -4.645 1.00 0.00 C ATOM 286 OG SER A 22 8.783 -6.939 -4.476 1.00 0.00 O ATOM 0 H SER A 22 7.648 -7.787 -2.199 1.00 0.00 H new ATOM 0 HA SER A 22 6.080 -6.811 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.271 -8.914 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.698 -8.179 -5.706 1.00 0.00 H new ATOM 0 HG SER A 22 9.488 -7.007 -5.153 1.00 0.00 H new ATOM 292 N LEU A 23 4.577 -8.804 -4.909 1.00 0.00 N ATOM 293 CA LEU A 23 3.538 -9.836 -4.954 1.00 0.00 C ATOM 294 C LEU A 23 4.086 -11.232 -5.258 1.00 0.00 C ATOM 295 O LEU A 23 3.592 -12.203 -4.689 1.00 0.00 O ATOM 296 CB LEU A 23 2.416 -9.487 -5.951 1.00 0.00 C ATOM 297 CG LEU A 23 1.363 -8.471 -5.475 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.423 -9.077 -4.424 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.969 -7.181 -4.928 1.00 0.00 C ATOM 0 H LEU A 23 4.488 -8.089 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 23 3.119 -9.859 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.876 -9.100 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.902 -10.409 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 23 0.793 -8.215 -6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.306 -8.329 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.097 -9.934 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.003 -9.399 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.171 -6.510 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.609 -7.412 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.561 -6.699 -5.706 1.00 0.00 H new ATOM 311 N TRP A 24 5.103 -11.351 -6.120 1.00 0.00 N ATOM 312 CA TRP A 24 5.570 -12.660 -6.576 1.00 0.00 C ATOM 313 C TRP A 24 6.793 -13.073 -5.757 1.00 0.00 C ATOM 314 O TRP A 24 6.712 -14.012 -4.966 1.00 0.00 O ATOM 315 CB TRP A 24 5.801 -12.654 -8.104 1.00 0.00 C ATOM 316 CG TRP A 24 4.913 -11.705 -8.854 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.340 -10.688 -9.638 1.00 0.00 C ATOM 318 CD2 TRP A 24 3.466 -11.553 -8.763 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.273 -9.889 -9.993 1.00 0.00 N ATOM 320 CE2 TRP A 24 3.098 -10.357 -9.443 1.00 0.00 C ATOM 321 CE3 TRP A 24 2.436 -12.258 -8.104 1.00 0.00 C ATOM 322 CZ2 TRP A 24 1.788 -9.860 -9.420 1.00 0.00 C ATOM 323 CZ3 TRP A 24 1.104 -11.807 -8.140 1.00 0.00 C ATOM 324 CH2 TRP A 24 0.796 -10.572 -8.732 1.00 0.00 C ATOM 0 H TRP A 24 5.614 -10.560 -6.512 1.00 0.00 H new ATOM 0 HA TRP A 24 4.808 -13.420 -6.405 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.841 -12.395 -8.302 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.644 -13.662 -8.488 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.364 -10.526 -9.941 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.344 -9.061 -10.584 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.675 -13.161 -7.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.545 -8.938 -9.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.318 -12.411 -7.712 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.204 -10.171 -8.657 1.00 0.00 H new ATOM 335 N ILE A 25 7.918 -12.362 -5.882 1.00 0.00 N ATOM 336 CA ILE A 25 9.093 -12.659 -5.095 1.00 0.00 C ATOM 337 C ILE A 25 8.898 -11.970 -3.747 1.00 0.00 C ATOM 338 O ILE A 25 9.484 -10.928 -3.464 1.00 0.00 O ATOM 339 CB ILE A 25 10.361 -12.254 -5.867 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.647 -12.452 -5.054 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.308 -10.819 -6.414 1.00 0.00 C ATOM 342 CD1 ILE A 25 11.843 -13.891 -4.569 1.00 0.00 C ATOM 0 H ILE A 25 8.028 -11.578 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 25 9.228 -13.724 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 25 10.387 -12.936 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.502 -12.162 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.630 -11.785 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.233 -10.598 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.464 -10.721 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.190 -10.119 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.771 -13.960 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.006 -14.178 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.892 -14.561 -5.428 1.00 0.00 H new ATOM 354 N LYS A 26 8.095 -12.580 -2.878 1.00 0.00 N ATOM 355 CA LYS A 26 7.769 -12.041 -1.560 1.00 0.00 C ATOM 356 C LYS A 26 8.990 -11.792 -0.651 1.00 0.00 C ATOM 357 O LYS A 26 8.819 -11.313 0.467 1.00 0.00 O ATOM 358 CB LYS A 26 6.727 -12.943 -0.881 1.00 0.00 C ATOM 359 CG LYS A 26 5.431 -13.033 -1.702 1.00 0.00 C ATOM 360 CD LYS A 26 4.369 -13.828 -0.931 1.00 0.00 C ATOM 361 CE LYS A 26 3.021 -13.847 -1.663 1.00 0.00 C ATOM 362 NZ LYS A 26 3.124 -14.440 -3.008 1.00 0.00 N ATOM 0 H LYS A 26 7.646 -13.475 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 26 7.349 -11.048 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.143 -13.942 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.502 -12.555 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.059 -12.032 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.631 -13.513 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.717 -14.851 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.238 -13.392 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.298 -14.411 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.640 -12.829 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.234 -14.923 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.306 -13.690 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.905 -15.126 -3.026 1.00 0.00 H new ATOM 376 N SER A 27 10.212 -12.095 -1.108 1.00 0.00 N ATOM 377 CA SER A 27 11.441 -11.830 -0.372 1.00 0.00 C ATOM 378 C SER A 27 12.030 -10.469 -0.766 1.00 0.00 C ATOM 379 O SER A 27 13.043 -10.074 -0.193 1.00 0.00 O ATOM 380 CB SER A 27 12.456 -12.946 -0.650 1.00 0.00 C ATOM 381 OG SER A 27 13.596 -12.782 0.171 1.00 0.00 O ATOM 0 H SER A 27 10.370 -12.537 -2.013 1.00 0.00 H new ATOM 0 HA SER A 27 11.213 -11.805 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.000 -13.918 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.749 -12.929 -1.700 1.00 0.00 H new ATOM 0 HG SER A 27 13.759 -11.827 0.318 1.00 0.00 H new ATOM 387 N VAL A 28 11.452 -9.788 -1.762 1.00 0.00 N ATOM 388 CA VAL A 28 11.897 -8.495 -2.258 1.00 0.00 C ATOM 389 C VAL A 28 10.779 -7.484 -2.003 1.00 0.00 C ATOM 390 O VAL A 28 9.594 -7.830 -2.004 1.00 0.00 O ATOM 391 CB VAL A 28 12.263 -8.629 -3.748 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.447 -7.278 -4.448 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.556 -9.443 -3.901 1.00 0.00 C ATOM 0 H VAL A 28 10.633 -10.141 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 28 12.791 -8.143 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 28 11.424 -9.137 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.704 -7.442 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.520 -6.707 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.248 -6.722 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.807 -9.532 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.368 -8.938 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.413 -10.437 -3.477 1.00 0.00 H new ATOM 403 N ARG A 29 11.156 -6.222 -1.783 1.00 0.00 N ATOM 404 CA ARG A 29 10.247 -5.134 -1.469 1.00 0.00 C ATOM 405 C ARG A 29 10.537 -3.977 -2.429 1.00 0.00 C ATOM 406 O ARG A 29 11.707 -3.682 -2.680 1.00 0.00 O ATOM 407 CB ARG A 29 10.417 -4.756 0.008 1.00 0.00 C ATOM 408 CG ARG A 29 10.404 -5.998 0.927 1.00 0.00 C ATOM 409 CD ARG A 29 10.435 -5.675 2.425 1.00 0.00 C ATOM 410 NE ARG A 29 9.341 -4.772 2.801 1.00 0.00 N ATOM 411 CZ ARG A 29 9.406 -3.437 2.785 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.574 -2.805 2.639 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.268 -2.755 2.896 1.00 0.00 N ATOM 0 H ARG A 29 12.132 -5.928 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 29 9.204 -5.419 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.356 -4.218 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.617 -4.078 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.511 -6.585 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.263 -6.624 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.360 -6.598 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.391 -5.217 2.680 1.00 0.00 H new ATOM 0 HE ARG A 29 8.462 -5.196 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.435 -3.342 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.604 -1.786 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.382 -3.252 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.282 -1.735 2.887 1.00 0.00 H new ATOM 427 N VAL A 30 9.492 -3.361 -2.998 1.00 0.00 N ATOM 428 CA VAL A 30 9.609 -2.335 -4.026 1.00 0.00 C ATOM 429 C VAL A 30 8.697 -1.127 -3.772 1.00 0.00 C ATOM 430 O VAL A 30 7.660 -1.227 -3.102 1.00 0.00 O ATOM 431 CB VAL A 30 9.321 -2.941 -5.416 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.302 -4.061 -5.779 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.889 -3.486 -5.528 1.00 0.00 C ATOM 0 H VAL A 30 8.526 -3.571 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 30 10.634 -1.966 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 30 9.446 -2.117 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.057 -4.454 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.318 -3.666 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.230 -4.861 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.735 -3.902 -6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.737 -4.266 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.178 -2.678 -5.358 1.00 0.00 H new ATOM 443 N CYS A 31 9.102 0.031 -4.308 1.00 0.00 N ATOM 444 CA CYS A 31 8.328 1.265 -4.230 1.00 0.00 C ATOM 445 C CYS A 31 7.056 1.056 -5.039 1.00 0.00 C ATOM 446 O CYS A 31 7.073 1.118 -6.267 1.00 0.00 O ATOM 447 CB CYS A 31 9.106 2.467 -4.769 1.00 0.00 C ATOM 448 SG CYS A 31 10.402 3.100 -3.687 1.00 0.00 S ATOM 0 H CYS A 31 9.984 0.133 -4.811 1.00 0.00 H new ATOM 0 HA CYS A 31 8.102 1.485 -3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.556 2.189 -5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.401 3.273 -4.972 1.00 0.00 H new ATOM 453 N THR A 32 5.954 0.794 -4.346 1.00 0.00 N ATOM 454 CA THR A 32 4.669 0.487 -4.939 1.00 0.00 C ATOM 455 C THR A 32 3.796 1.750 -4.917 1.00 0.00 C ATOM 456 O THR A 32 3.845 2.493 -3.936 1.00 0.00 O ATOM 457 CB THR A 32 4.068 -0.678 -4.144 1.00 0.00 C ATOM 458 OG1 THR A 32 5.007 -1.739 -4.100 1.00 0.00 O ATOM 459 CG2 THR A 32 2.787 -1.198 -4.798 1.00 0.00 C ATOM 0 H THR A 32 5.935 0.791 -3.326 1.00 0.00 H new ATOM 0 HA THR A 32 4.750 0.183 -5.983 1.00 0.00 H new ATOM 0 HB THR A 32 3.831 -0.318 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.799 -1.454 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.387 -2.023 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.051 -0.396 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.009 -1.546 -5.807 1.00 0.00 H new ATOM 467 N PRO A 33 3.043 2.048 -5.989 1.00 0.00 N ATOM 468 CA PRO A 33 2.139 3.190 -6.046 1.00 0.00 C ATOM 469 C PRO A 33 1.134 3.207 -4.893 1.00 0.00 C ATOM 470 O PRO A 33 0.771 2.151 -4.376 1.00 0.00 O ATOM 471 CB PRO A 33 1.396 3.056 -7.379 1.00 0.00 C ATOM 472 CG PRO A 33 2.382 2.295 -8.261 1.00 0.00 C ATOM 473 CD PRO A 33 3.084 1.364 -7.272 1.00 0.00 C ATOM 0 HA PRO A 33 2.703 4.119 -5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.459 2.512 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.149 4.030 -7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.873 1.738 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.086 2.967 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.580 0.399 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.112 1.170 -7.579 1.00 0.00 H new ATOM 481 N VAL A 34 0.673 4.399 -4.496 1.00 0.00 N ATOM 482 CA VAL A 34 -0.389 4.501 -3.496 1.00 0.00 C ATOM 483 C VAL A 34 -1.637 3.751 -3.989 1.00 0.00 C ATOM 484 O VAL A 34 -1.927 3.714 -5.189 1.00 0.00 O ATOM 485 CB VAL A 34 -0.731 5.961 -3.142 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.211 6.536 -2.078 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.730 6.876 -4.368 1.00 0.00 C ATOM 0 H VAL A 34 1.015 5.293 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.025 4.039 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.742 5.930 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.070 7.567 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.137 5.941 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.236 6.509 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.977 7.893 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.257 6.865 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.470 6.523 -5.086 1.00 0.00 H new ATOM 497 N GLY A 35 -2.380 3.160 -3.048 1.00 0.00 N ATOM 498 CA GLY A 35 -3.590 2.403 -3.310 1.00 0.00 C ATOM 499 C GLY A 35 -4.547 3.245 -4.148 1.00 0.00 C ATOM 500 O GLY A 35 -5.072 4.255 -3.683 1.00 0.00 O ATOM 0 H GLY A 35 -2.142 3.201 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.347 1.479 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.065 2.120 -2.371 1.00 0.00 H new ATOM 504 N THR A 36 -4.765 2.832 -5.393 1.00 0.00 N ATOM 505 CA THR A 36 -5.527 3.583 -6.373 1.00 0.00 C ATOM 506 C THR A 36 -6.961 3.046 -6.441 1.00 0.00 C ATOM 507 O THR A 36 -7.273 2.019 -5.844 1.00 0.00 O ATOM 508 CB THR A 36 -4.781 3.475 -7.718 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.443 3.033 -7.524 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.748 4.817 -8.454 1.00 0.00 C ATOM 0 H THR A 36 -4.407 1.947 -5.752 1.00 0.00 H new ATOM 0 HA THR A 36 -5.609 4.636 -6.102 1.00 0.00 H new ATOM 0 HB THR A 36 -5.327 2.749 -8.321 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.058 3.487 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.214 4.702 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.767 5.148 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.239 5.558 -7.837 1.00 0.00 H new ATOM 518 N SER A 37 -7.847 3.753 -7.145 1.00 0.00 N ATOM 519 CA SER A 37 -9.260 3.440 -7.271 1.00 0.00 C ATOM 520 C SER A 37 -9.532 1.960 -7.564 1.00 0.00 C ATOM 521 O SER A 37 -9.248 1.489 -8.663 1.00 0.00 O ATOM 522 CB SER A 37 -9.821 4.336 -8.378 1.00 0.00 C ATOM 523 OG SER A 37 -9.280 5.639 -8.224 1.00 0.00 O ATOM 0 H SER A 37 -7.583 4.592 -7.661 1.00 0.00 H new ATOM 0 HA SER A 37 -9.754 3.630 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.564 3.933 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.909 4.369 -8.323 1.00 0.00 H new ATOM 0 HG SER A 37 -9.630 6.224 -8.928 1.00 0.00 H new ATOM 529 N GLY A 38 -10.086 1.233 -6.590 1.00 0.00 N ATOM 530 CA GLY A 38 -10.451 -0.169 -6.739 1.00 0.00 C ATOM 531 C GLY A 38 -9.315 -1.141 -6.416 1.00 0.00 C ATOM 532 O GLY A 38 -9.548 -2.348 -6.371 1.00 0.00 O ATOM 0 H GLY A 38 -10.294 1.611 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.298 -0.385 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.784 -0.341 -7.763 1.00 0.00 H new ATOM 536 N GLU A 39 -8.093 -0.651 -6.186 1.00 0.00 N ATOM 537 CA GLU A 39 -6.979 -1.515 -5.835 1.00 0.00 C ATOM 538 C GLU A 39 -7.210 -2.087 -4.437 1.00 0.00 C ATOM 539 O GLU A 39 -7.778 -1.416 -3.572 1.00 0.00 O ATOM 540 CB GLU A 39 -5.654 -0.742 -5.893 1.00 0.00 C ATOM 541 CG GLU A 39 -5.341 -0.218 -7.304 1.00 0.00 C ATOM 542 CD GLU A 39 -5.188 -1.338 -8.330 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.526 -2.341 -7.985 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.737 -1.171 -9.440 1.00 0.00 O ATOM 0 H GLU A 39 -7.858 0.340 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.917 -2.333 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.695 0.097 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.843 -1.391 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.138 0.454 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.423 0.369 -7.273 1.00 0.00 H new ATOM 551 N ASP A 40 -6.776 -3.332 -4.228 1.00 0.00 N ATOM 552 CA ASP A 40 -6.892 -4.010 -2.949 1.00 0.00 C ATOM 553 C ASP A 40 -6.016 -3.308 -1.916 1.00 0.00 C ATOM 554 O ASP A 40 -4.971 -2.754 -2.261 1.00 0.00 O ATOM 555 CB ASP A 40 -6.505 -5.483 -3.103 1.00 0.00 C ATOM 556 CG ASP A 40 -7.462 -6.213 -4.036 1.00 0.00 C ATOM 557 OD1 ASP A 40 -8.613 -6.445 -3.607 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.037 -6.496 -5.177 1.00 0.00 O ATOM 0 H ASP A 40 -6.332 -3.897 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.925 -3.970 -2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.489 -5.555 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.508 -5.966 -2.126 1.00 0.00 H new ATOM 563 N CYS A 41 -6.434 -3.334 -0.651 1.00 0.00 N ATOM 564 CA CYS A 41 -5.729 -2.672 0.434 1.00 0.00 C ATOM 565 C CYS A 41 -5.852 -3.467 1.723 1.00 0.00 C ATOM 566 O CYS A 41 -6.850 -4.142 1.958 1.00 0.00 O ATOM 567 CB CYS A 41 -6.284 -1.262 0.638 1.00 0.00 C ATOM 568 SG CYS A 41 -8.021 -1.218 1.132 1.00 0.00 S ATOM 0 H CYS A 41 -7.279 -3.821 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.674 -2.608 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.688 -0.755 1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.166 -0.699 -0.288 1.00 0.00 H new ATOM 573 N HIS A 42 -4.826 -3.366 2.565 1.00 0.00 N ATOM 574 CA HIS A 42 -4.778 -3.984 3.872 1.00 0.00 C ATOM 575 C HIS A 42 -5.156 -2.875 4.856 1.00 0.00 C ATOM 576 O HIS A 42 -4.579 -1.788 4.773 1.00 0.00 O ATOM 577 CB HIS A 42 -3.349 -4.485 4.118 1.00 0.00 C ATOM 578 CG HIS A 42 -3.201 -5.299 5.372 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.563 -4.797 6.620 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.729 -6.575 5.525 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.300 -5.791 7.473 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.812 -6.883 6.866 1.00 0.00 N ATOM 0 H HIS A 42 -3.984 -2.835 2.343 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.450 -4.836 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.033 -5.086 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.677 -3.628 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.360 -7.220 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.463 -5.723 8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.554 -7.765 7.308 1.00 0.00 H new ATOM 590 N PRO A 43 -6.110 -3.090 5.775 1.00 0.00 N ATOM 591 CA PRO A 43 -6.530 -2.052 6.703 1.00 0.00 C ATOM 592 C PRO A 43 -5.375 -1.492 7.546 1.00 0.00 C ATOM 593 O PRO A 43 -5.500 -0.385 8.062 1.00 0.00 O ATOM 594 CB PRO A 43 -7.643 -2.674 7.552 1.00 0.00 C ATOM 595 CG PRO A 43 -7.402 -4.179 7.431 1.00 0.00 C ATOM 596 CD PRO A 43 -6.832 -4.327 6.022 1.00 0.00 C ATOM 0 HA PRO A 43 -6.894 -1.177 6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.587 -2.343 8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.630 -2.397 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.704 -4.537 8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.325 -4.746 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.170 -5.190 5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.625 -4.474 5.289 1.00 0.00 H new ATOM 604 N ALA A 44 -4.246 -2.207 7.661 1.00 0.00 N ATOM 605 CA ALA A 44 -3.083 -1.736 8.401 1.00 0.00 C ATOM 606 C ALA A 44 -2.021 -1.139 7.468 1.00 0.00 C ATOM 607 O ALA A 44 -0.846 -1.103 7.833 1.00 0.00 O ATOM 608 CB ALA A 44 -2.508 -2.877 9.245 1.00 0.00 C ATOM 0 H ALA A 44 -4.121 -3.128 7.240 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.401 -0.934 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.638 -2.519 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.264 -3.227 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.211 -3.698 8.593 1.00 0.00 H new ATOM 614 N SER A 45 -2.403 -0.666 6.272 1.00 0.00 N ATOM 615 CA SER A 45 -1.496 0.048 5.389 1.00 0.00 C ATOM 616 C SER A 45 -1.089 1.347 6.101 1.00 0.00 C ATOM 617 O SER A 45 -1.780 2.358 6.012 1.00 0.00 O ATOM 618 CB SER A 45 -2.187 0.323 4.050 1.00 0.00 C ATOM 619 OG SER A 45 -2.438 -0.880 3.346 1.00 0.00 O ATOM 0 H SER A 45 -3.347 -0.772 5.900 1.00 0.00 H new ATOM 0 HA SER A 45 -0.604 -0.540 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.126 0.848 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.562 0.979 3.443 1.00 0.00 H new ATOM 0 HG SER A 45 -3.213 -1.334 3.739 1.00 0.00 H new ATOM 625 N HIS A 46 0.030 1.288 6.825 1.00 0.00 N ATOM 626 CA HIS A 46 0.585 2.331 7.690 1.00 0.00 C ATOM 627 C HIS A 46 0.647 3.713 7.054 1.00 0.00 C ATOM 628 O HIS A 46 0.820 3.826 5.840 1.00 0.00 O ATOM 629 CB HIS A 46 2.020 1.982 8.125 1.00 0.00 C ATOM 630 CG HIS A 46 2.315 0.514 8.133 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.621 -0.174 6.954 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.115 -0.375 9.146 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.634 -1.461 7.324 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.331 -1.634 8.623 1.00 0.00 N ATOM 0 H HIS A 46 0.613 0.451 6.822 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.105 2.367 8.533 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.722 2.479 7.456 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.193 2.382 9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.840 -0.140 10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.863 -2.274 6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.272 -2.521 9.123 1.00 0.00 H new ATOM 642 N LYS A 47 0.636 4.739 7.908 1.00 0.00 N ATOM 643 CA LYS A 47 0.765 6.140 7.536 1.00 0.00 C ATOM 644 C LYS A 47 1.978 6.381 6.623 1.00 0.00 C ATOM 645 O LYS A 47 2.839 5.516 6.467 1.00 0.00 O ATOM 646 CB LYS A 47 0.882 6.961 8.828 1.00 0.00 C ATOM 647 CG LYS A 47 0.694 8.475 8.662 1.00 0.00 C ATOM 648 CD LYS A 47 -0.674 8.810 8.048 1.00 0.00 C ATOM 649 CE LYS A 47 -0.728 9.195 6.560 1.00 0.00 C ATOM 650 NZ LYS A 47 0.147 10.342 6.245 1.00 0.00 N ATOM 0 H LYS A 47 0.533 4.606 8.914 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.113 6.446 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.142 6.595 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.863 6.779 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.787 8.963 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.486 8.873 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.324 7.947 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.104 9.632 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.432 8.338 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.755 9.439 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.026 10.607 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.106 11.149 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.139 10.079 6.415 1.00 0.00 H new ATOM 664 N ILE A 48 2.046 7.563 6.012 1.00 0.00 N ATOM 665 CA ILE A 48 3.132 7.977 5.129 1.00 0.00 C ATOM 666 C ILE A 48 3.813 9.174 5.801 1.00 0.00 C ATOM 667 O ILE A 48 3.092 10.042 6.295 1.00 0.00 O ATOM 668 CB ILE A 48 2.579 8.367 3.740 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.756 7.207 3.152 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.715 8.761 2.781 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.288 7.444 1.712 1.00 0.00 C ATOM 0 H ILE A 48 1.327 8.278 6.122 1.00 0.00 H new ATOM 0 HA ILE A 48 3.843 7.166 4.973 1.00 0.00 H new ATOM 0 HB ILE A 48 1.930 9.234 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.355 6.297 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.884 7.037 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.296 9.030 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.258 9.613 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.397 7.920 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.715 6.582 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.661 8.335 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.155 7.584 1.066 1.00 0.00 H new ATOM 683 N PRO A 49 5.153 9.266 5.816 1.00 0.00 N ATOM 684 CA PRO A 49 6.108 8.265 5.360 1.00 0.00 C ATOM 685 C PRO A 49 6.337 7.214 6.452 1.00 0.00 C ATOM 686 O PRO A 49 6.518 7.561 7.618 1.00 0.00 O ATOM 687 CB PRO A 49 7.393 9.052 5.097 1.00 0.00 C ATOM 688 CG PRO A 49 7.341 10.174 6.136 1.00 0.00 C ATOM 689 CD PRO A 49 5.843 10.464 6.267 1.00 0.00 C ATOM 0 HA PRO A 49 5.762 7.730 4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.279 8.429 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.422 9.446 4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.775 9.863 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.894 11.054 5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.581 10.698 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.560 11.326 5.663 1.00 0.00 H new ATOM 697 N PHE A 50 6.369 5.933 6.081 1.00 0.00 N ATOM 698 CA PHE A 50 6.648 4.850 7.011 1.00 0.00 C ATOM 699 C PHE A 50 8.120 4.492 6.841 1.00 0.00 C ATOM 700 O PHE A 50 8.496 3.769 5.918 1.00 0.00 O ATOM 701 CB PHE A 50 5.740 3.654 6.724 1.00 0.00 C ATOM 702 CG PHE A 50 5.843 2.540 7.746 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.173 2.647 8.979 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.605 1.395 7.464 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.216 1.583 9.898 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.645 0.328 8.378 1.00 0.00 C ATOM 707 CZ PHE A 50 5.942 0.418 9.592 1.00 0.00 C ATOM 0 H PHE A 50 6.201 5.622 5.124 1.00 0.00 H new ATOM 0 HA PHE A 50 6.451 5.149 8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.707 3.998 6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.984 3.254 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.626 3.546 9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.163 1.334 6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.691 1.661 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.215 -0.560 8.148 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.959 -0.407 10.289 1.00 0.00 H new ATOM 717 N SER A 51 8.961 5.019 7.733 1.00 0.00 N ATOM 718 CA SER A 51 10.405 4.826 7.708 1.00 0.00 C ATOM 719 C SER A 51 10.811 3.411 8.152 1.00 0.00 C ATOM 720 O SER A 51 11.716 3.264 8.978 1.00 0.00 O ATOM 721 CB SER A 51 11.064 5.906 8.578 1.00 0.00 C ATOM 722 OG SER A 51 12.469 5.829 8.471 1.00 0.00 O ATOM 0 H SER A 51 8.647 5.603 8.508 1.00 0.00 H new ATOM 0 HA SER A 51 10.756 4.925 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.722 6.893 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.764 5.778 9.618 1.00 0.00 H new ATOM 0 HG SER A 51 12.759 4.905 8.624 1.00 0.00 H new ATOM 728 N GLY A 52 10.195 2.367 7.595 1.00 0.00 N ATOM 729 CA GLY A 52 10.500 0.990 7.937 1.00 0.00 C ATOM 730 C GLY A 52 9.972 0.033 6.875 1.00 0.00 C ATOM 731 O GLY A 52 9.308 0.440 5.922 1.00 0.00 O ATOM 0 H GLY A 52 9.465 2.462 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.578 0.867 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.059 0.745 8.903 1.00 0.00 H new ATOM 735 N GLN A 53 10.261 -1.252 7.064 1.00 0.00 N ATOM 736 CA GLN A 53 9.887 -2.315 6.157 1.00 0.00 C ATOM 737 C GLN A 53 8.424 -2.700 6.375 1.00 0.00 C ATOM 738 O GLN A 53 8.112 -3.498 7.257 1.00 0.00 O ATOM 739 CB GLN A 53 10.816 -3.526 6.361 1.00 0.00 C ATOM 740 CG GLN A 53 12.273 -3.286 5.926 1.00 0.00 C ATOM 741 CD GLN A 53 13.079 -2.362 6.842 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.671 -2.036 7.954 1.00 0.00 O ATOM 743 NE2 GLN A 53 14.249 -1.932 6.385 1.00 0.00 N ATOM 0 H GLN A 53 10.777 -1.584 7.879 1.00 0.00 H new ATOM 0 HA GLN A 53 9.996 -1.969 5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.805 -3.804 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.417 -4.373 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.782 -4.248 5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.271 -2.865 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.570 -2.214 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.827 -1.319 6.960 1.00 0.00 H new ATOM 752 N ARG A 54 7.514 -2.118 5.590 1.00 0.00 N ATOM 753 CA ARG A 54 6.106 -2.484 5.610 1.00 0.00 C ATOM 754 C ARG A 54 5.996 -3.969 5.268 1.00 0.00 C ATOM 755 O ARG A 54 6.304 -4.357 4.142 1.00 0.00 O ATOM 756 CB ARG A 54 5.317 -1.702 4.552 1.00 0.00 C ATOM 757 CG ARG A 54 5.369 -0.188 4.738 1.00 0.00 C ATOM 758 CD ARG A 54 4.543 0.462 3.628 1.00 0.00 C ATOM 759 NE ARG A 54 4.462 1.916 3.799 1.00 0.00 N ATOM 760 CZ ARG A 54 3.422 2.536 4.374 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.465 1.825 4.973 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.334 3.864 4.370 1.00 0.00 N ATOM 0 H ARG A 54 7.739 -1.379 4.924 1.00 0.00 H new ATOM 0 HA ARG A 54 5.700 -2.260 6.597 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.706 -1.951 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.277 -2.026 4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.974 0.088 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.400 0.164 4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.988 0.233 2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.539 0.039 3.625 1.00 0.00 H new ATOM 0 HE ARG A 54 5.238 2.486 3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.524 0.807 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.675 2.300 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.063 4.422 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.537 4.324 4.811 1.00 0.00 H new ATOM 776 N MET A 55 5.505 -4.795 6.190 1.00 0.00 N ATOM 777 CA MET A 55 5.354 -6.229 5.983 1.00 0.00 C ATOM 778 C MET A 55 4.022 -6.517 5.279 1.00 0.00 C ATOM 779 O MET A 55 3.331 -7.477 5.609 1.00 0.00 O ATOM 780 CB MET A 55 5.470 -6.950 7.334 1.00 0.00 C ATOM 781 CG MET A 55 6.821 -6.673 8.005 1.00 0.00 C ATOM 782 SD MET A 55 7.094 -7.572 9.551 1.00 0.00 S ATOM 783 CE MET A 55 8.721 -6.923 9.989 1.00 0.00 C ATOM 0 H MET A 55 5.198 -4.481 7.111 1.00 0.00 H new ATOM 0 HA MET A 55 6.146 -6.605 5.336 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.663 -6.626 7.991 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.349 -8.023 7.186 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.618 -6.928 7.306 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.901 -5.604 8.203 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.051 -7.372 10.926 1.00 0.00 H new ATOM 0 HE2 MET A 55 9.433 -7.164 9.200 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.662 -5.841 10.106 1.00 0.00 H new ATOM 793 N HIS A 56 3.664 -5.670 4.311 1.00 0.00 N ATOM 794 CA HIS A 56 2.443 -5.762 3.522 1.00 0.00 C ATOM 795 C HIS A 56 2.761 -5.341 2.088 1.00 0.00 C ATOM 796 O HIS A 56 3.763 -4.671 1.839 1.00 0.00 O ATOM 797 CB HIS A 56 1.340 -4.861 4.105 1.00 0.00 C ATOM 798 CG HIS A 56 0.934 -5.178 5.519 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.857 -4.182 6.493 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.578 -6.374 6.081 1.00 0.00 C ATOM 801 CE1 HIS A 56 0.466 -4.817 7.600 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.311 -6.136 7.413 1.00 0.00 N ATOM 0 H HIS A 56 4.242 -4.872 4.049 1.00 0.00 H new ATOM 0 HA HIS A 56 2.077 -6.788 3.542 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.680 -3.826 4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.459 -4.932 3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.517 -7.327 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.293 -4.322 8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.048 -6.826 8.116 1.00 0.00 H new ATOM 810 N HIS A 57 1.903 -5.744 1.149 1.00 0.00 N ATOM 811 CA HIS A 57 2.025 -5.425 -0.269 1.00 0.00 C ATOM 812 C HIS A 57 1.340 -4.116 -0.628 1.00 0.00 C ATOM 813 O HIS A 57 1.670 -3.508 -1.643 1.00 0.00 O ATOM 814 CB HIS A 57 1.327 -6.509 -1.089 1.00 0.00 C ATOM 815 CG HIS A 57 2.046 -7.815 -1.042 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.559 -8.893 -0.318 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.210 -8.176 -1.655 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.448 -9.859 -0.550 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.458 -9.487 -1.348 1.00 0.00 N ATOM 0 H HIS A 57 1.085 -6.315 1.362 1.00 0.00 H new ATOM 0 HA HIS A 57 3.091 -5.353 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.311 -6.644 -0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.246 -6.180 -2.125 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.827 -7.540 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.362 -10.851 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.243 -10.058 -1.660 1.00 0.00 H new ATOM 827 N THR A 58 0.360 -3.700 0.173 1.00 0.00 N ATOM 828 CA THR A 58 -0.491 -2.591 -0.189 1.00 0.00 C ATOM 829 C THR A 58 -0.050 -1.302 0.487 1.00 0.00 C ATOM 830 O THR A 58 0.327 -1.295 1.657 1.00 0.00 O ATOM 831 CB THR A 58 -1.952 -2.953 0.109 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.251 -2.930 1.498 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.265 -4.371 -0.406 1.00 0.00 C ATOM 0 H THR A 58 0.143 -4.122 1.076 1.00 0.00 H new ATOM 0 HA THR A 58 -0.403 -2.403 -1.259 1.00 0.00 H new ATOM 0 HB THR A 58 -2.558 -2.201 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.270 -2.002 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.305 -4.616 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.100 -4.412 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.612 -5.090 0.088 1.00 0.00 H new ATOM 841 N CYS A 59 -0.118 -0.210 -0.270 1.00 0.00 N ATOM 842 CA CYS A 59 0.219 1.122 0.191 1.00 0.00 C ATOM 843 C CYS A 59 -1.078 1.840 0.533 1.00 0.00 C ATOM 844 O CYS A 59 -2.131 1.445 0.029 1.00 0.00 O ATOM 845 CB CYS A 59 0.945 1.869 -0.928 1.00 0.00 C ATOM 846 SG CYS A 59 2.623 1.297 -1.225 1.00 0.00 S ATOM 0 H CYS A 59 -0.417 -0.234 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 59 0.866 1.078 1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.370 1.769 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.973 2.931 -0.683 1.00 0.00 H new ATOM 851 N PRO A 60 -1.036 2.876 1.387 1.00 0.00 N ATOM 852 CA PRO A 60 -2.226 3.625 1.734 1.00 0.00 C ATOM 853 C PRO A 60 -2.947 4.134 0.503 1.00 0.00 C ATOM 854 O PRO A 60 -2.359 4.330 -0.560 1.00 0.00 O ATOM 855 CB PRO A 60 -1.780 4.792 2.603 1.00 0.00 C ATOM 856 CG PRO A 60 -0.541 4.209 3.252 1.00 0.00 C ATOM 857 CD PRO A 60 0.098 3.372 2.146 1.00 0.00 C ATOM 0 HA PRO A 60 -2.928 2.981 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.558 5.683 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.536 5.074 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.133 4.992 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.794 3.598 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.764 3.971 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.693 2.556 2.555 1.00 0.00 H new ATOM 865 N CYS A 61 -4.236 4.362 0.691 1.00 0.00 N ATOM 866 CA CYS A 61 -5.121 4.800 -0.365 1.00 0.00 C ATOM 867 C CYS A 61 -4.781 6.237 -0.757 1.00 0.00 C ATOM 868 O CYS A 61 -4.480 7.061 0.106 1.00 0.00 O ATOM 869 CB CYS A 61 -6.571 4.628 0.082 1.00 0.00 C ATOM 870 SG CYS A 61 -7.087 2.933 0.434 1.00 0.00 S ATOM 0 H CYS A 61 -4.698 4.246 1.593 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.987 4.189 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.730 5.230 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.221 5.033 -0.694 1.00 0.00 H new ATOM 875 N ALA A 62 -4.791 6.527 -2.062 1.00 0.00 N ATOM 876 CA ALA A 62 -4.475 7.847 -2.591 1.00 0.00 C ATOM 877 C ALA A 62 -5.326 8.909 -1.882 1.00 0.00 C ATOM 878 O ALA A 62 -6.528 8.682 -1.766 1.00 0.00 O ATOM 879 CB ALA A 62 -4.760 7.881 -4.092 1.00 0.00 C ATOM 0 H ALA A 62 -5.021 5.843 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.420 8.058 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.523 8.870 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.147 7.134 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.814 7.664 -4.267 1.00 0.00 H new ATOM 885 N PRO A 63 -4.749 10.036 -1.424 1.00 0.00 N ATOM 886 CA PRO A 63 -5.437 11.126 -0.726 1.00 0.00 C ATOM 887 C PRO A 63 -6.779 11.568 -1.324 1.00 0.00 C ATOM 888 O PRO A 63 -6.871 12.559 -2.044 1.00 0.00 O ATOM 889 CB PRO A 63 -4.423 12.266 -0.656 1.00 0.00 C ATOM 890 CG PRO A 63 -3.134 11.478 -0.463 1.00 0.00 C ATOM 891 CD PRO A 63 -3.315 10.296 -1.413 1.00 0.00 C ATOM 0 HA PRO A 63 -5.747 10.777 0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.410 12.866 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.621 12.947 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.255 12.071 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.010 11.152 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.949 10.533 -2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.759 9.424 -1.069 1.00 0.00 H new ATOM 899 N ASN A 64 -7.814 10.816 -0.958 1.00 0.00 N ATOM 900 CA ASN A 64 -9.226 10.924 -1.328 1.00 0.00 C ATOM 901 C ASN A 64 -9.885 9.582 -1.015 1.00 0.00 C ATOM 902 O ASN A 64 -10.927 9.512 -0.369 1.00 0.00 O ATOM 903 CB ASN A 64 -9.419 11.247 -2.821 1.00 0.00 C ATOM 904 CG ASN A 64 -10.844 10.939 -3.279 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.753 11.742 -3.101 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.041 9.761 -3.864 1.00 0.00 N ATOM 0 H ASN A 64 -7.669 10.029 -0.325 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.675 11.742 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.198 12.299 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.711 10.668 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.974 9.499 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.259 9.119 -3.995 1.00 0.00 H new ATOM 913 N LEU A 65 -9.264 8.514 -1.513 1.00 0.00 N ATOM 914 CA LEU A 65 -9.717 7.153 -1.326 1.00 0.00 C ATOM 915 C LEU A 65 -9.464 6.713 0.120 1.00 0.00 C ATOM 916 O LEU A 65 -8.567 7.232 0.782 1.00 0.00 O ATOM 917 CB LEU A 65 -8.954 6.248 -2.301 1.00 0.00 C ATOM 918 CG LEU A 65 -9.101 6.596 -3.788 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.159 5.702 -4.591 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.520 6.360 -4.295 1.00 0.00 C ATOM 0 H LEU A 65 -8.412 8.582 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.787 7.083 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.895 6.278 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.289 5.221 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.863 7.653 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.251 5.936 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.132 5.874 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.421 4.657 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.577 6.620 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.783 5.310 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.216 6.981 -3.731 1.00 0.00 H new ATOM 932 N ALA A 66 -10.239 5.735 0.591 1.00 0.00 N ATOM 933 CA ALA A 66 -10.156 5.132 1.909 1.00 0.00 C ATOM 934 C ALA A 66 -10.202 3.613 1.733 1.00 0.00 C ATOM 935 O ALA A 66 -10.799 3.115 0.776 1.00 0.00 O ATOM 936 CB ALA A 66 -11.316 5.625 2.777 1.00 0.00 C ATOM 0 H ALA A 66 -10.982 5.324 0.026 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.229 5.412 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.250 5.170 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.264 6.710 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.262 5.347 2.312 1.00 0.00 H new ATOM 942 N CYS A 67 -9.530 2.882 2.632 1.00 0.00 N ATOM 943 CA CYS A 67 -9.456 1.428 2.577 1.00 0.00 C ATOM 944 C CYS A 67 -10.713 0.836 3.205 1.00 0.00 C ATOM 945 O CYS A 67 -10.754 0.643 4.420 1.00 0.00 O ATOM 946 CB CYS A 67 -8.197 0.916 3.296 1.00 0.00 C ATOM 947 SG CYS A 67 -8.019 -0.878 3.183 1.00 0.00 S ATOM 0 H CYS A 67 -9.023 3.290 3.418 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.392 1.114 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.317 1.393 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.237 1.209 4.345 1.00 0.00 H new ATOM 952 N VAL A 68 -11.738 0.560 2.395 1.00 0.00 N ATOM 953 CA VAL A 68 -13.020 0.052 2.872 1.00 0.00 C ATOM 954 C VAL A 68 -13.237 -1.389 2.441 1.00 0.00 C ATOM 955 O VAL A 68 -12.738 -1.837 1.410 1.00 0.00 O ATOM 956 CB VAL A 68 -14.165 0.968 2.420 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.245 1.089 0.893 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.528 0.540 2.977 1.00 0.00 C ATOM 0 H VAL A 68 -11.698 0.685 1.383 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.007 0.056 3.962 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.926 1.947 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.071 1.747 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.311 1.502 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.410 0.103 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.298 1.226 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.758 -0.470 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.498 0.560 4.066 1.00 0.00 H new ATOM 968 N GLN A 69 -13.998 -2.116 3.255 1.00 0.00 N ATOM 969 CA GLN A 69 -14.338 -3.503 2.999 1.00 0.00 C ATOM 970 C GLN A 69 -15.550 -3.573 2.077 1.00 0.00 C ATOM 971 O GLN A 69 -16.534 -2.863 2.286 1.00 0.00 O ATOM 972 CB GLN A 69 -14.419 -4.282 4.322 1.00 0.00 C ATOM 973 CG GLN A 69 -15.736 -4.201 5.094 1.00 0.00 C ATOM 974 CD GLN A 69 -16.671 -5.306 4.619 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.593 -6.443 5.073 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.499 -5.004 3.632 1.00 0.00 N ATOM 0 H GLN A 69 -14.398 -1.750 4.119 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.553 -4.019 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.214 -5.331 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.621 -3.926 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.550 -4.302 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.200 -3.227 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.541 -4.049 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.095 -5.726 3.227 1.00 0.00 H new ATOM 985 N THR A 70 -15.480 -4.447 1.074 1.00 0.00 N ATOM 986 CA THR A 70 -16.570 -4.741 0.154 1.00 0.00 C ATOM 987 C THR A 70 -17.236 -6.029 0.652 1.00 0.00 C ATOM 988 O THR A 70 -18.448 -6.208 0.551 1.00 0.00 O ATOM 989 CB THR A 70 -16.036 -4.862 -1.280 1.00 0.00 C ATOM 990 OG1 THR A 70 -15.035 -5.854 -1.382 1.00 0.00 O ATOM 991 CG2 THR A 70 -15.454 -3.528 -1.760 1.00 0.00 C ATOM 0 H THR A 70 -14.636 -4.985 0.876 1.00 0.00 H new ATOM 0 HA THR A 70 -17.309 -3.940 0.129 1.00 0.00 H new ATOM 0 HB THR A 70 -16.882 -5.144 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.315 -5.659 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.082 -3.639 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.231 -2.763 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.635 -3.232 -1.105 1.00 0.00 H new ATOM 999 N SER A 71 -16.443 -6.913 1.258 1.00 0.00 N ATOM 1000 CA SER A 71 -16.842 -8.129 1.945 1.00 0.00 C ATOM 1001 C SER A 71 -15.676 -8.437 2.895 1.00 0.00 C ATOM 1002 O SER A 71 -14.628 -7.800 2.752 1.00 0.00 O ATOM 1003 CB SER A 71 -17.084 -9.265 0.942 1.00 0.00 C ATOM 1004 OG SER A 71 -17.844 -8.827 -0.168 1.00 0.00 O ATOM 0 H SER A 71 -15.432 -6.783 1.280 1.00 0.00 H new ATOM 0 HA SER A 71 -17.780 -8.018 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.127 -9.656 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.603 -10.085 1.438 1.00 0.00 H new ATOM 0 HG SER A 71 -17.979 -9.574 -0.788 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.813 -9.372 3.850 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.724 -9.728 4.746 1.00 0.00 C ATOM 1012 C PRO A 72 -13.458 -10.030 3.942 1.00 0.00 C ATOM 1013 O PRO A 72 -13.542 -10.670 2.893 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.223 -10.942 5.534 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.736 -10.718 5.561 1.00 0.00 C ATOM 1016 CD PRO A 72 -17.007 -10.132 4.175 1.00 0.00 C ATOM 0 HA PRO A 72 -14.456 -8.919 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.960 -11.880 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.800 -10.977 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.281 -11.648 5.722 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.031 -10.033 6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.186 -10.918 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.891 -9.495 4.182 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.306 -9.517 4.389 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.003 -9.638 3.732 1.00 0.00 C ATOM 1026 C LYS A 73 -10.903 -8.779 2.461 1.00 0.00 C ATOM 1027 O LYS A 73 -9.874 -8.144 2.235 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.614 -11.101 3.460 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.699 -11.970 4.722 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.196 -13.387 4.414 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.360 -14.327 5.614 1.00 0.00 C ATOM 1032 NZ LYS A 73 -9.556 -13.893 6.770 1.00 0.00 N ATOM 0 H LYS A 73 -12.256 -8.983 5.257 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.274 -9.243 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.270 -11.513 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.599 -11.137 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.102 -11.528 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.728 -12.009 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.743 -13.789 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.145 -13.345 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.411 -14.370 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.066 -15.336 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.629 -14.600 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.561 -13.794 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.909 -12.978 7.115 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.955 -8.738 1.637 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.999 -7.969 0.402 1.00 0.00 C ATOM 1048 C LYS A 74 -12.038 -6.462 0.689 1.00 0.00 C ATOM 1049 O LYS A 74 -13.072 -5.810 0.529 1.00 0.00 O ATOM 1050 CB LYS A 74 -13.196 -8.406 -0.455 1.00 0.00 C ATOM 1051 CG LYS A 74 -13.200 -9.913 -0.739 1.00 0.00 C ATOM 1052 CD LYS A 74 -14.253 -10.220 -1.814 1.00 0.00 C ATOM 1053 CE LYS A 74 -14.412 -11.728 -2.045 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.971 -12.411 -0.865 1.00 0.00 N ATOM 0 H LYS A 74 -12.816 -9.253 1.820 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.087 -8.168 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.121 -8.134 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.180 -7.862 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.214 -10.235 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.422 -10.467 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.211 -9.796 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.969 -9.738 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.062 -11.897 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.442 -12.162 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.236 -13.384 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.259 -12.433 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.813 -11.899 -0.534 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.890 -5.905 1.072 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.710 -4.490 1.358 1.00 0.00 C ATOM 1070 C PHE A 75 -10.095 -3.817 0.132 1.00 0.00 C ATOM 1071 O PHE A 75 -9.091 -4.294 -0.396 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.824 -4.310 2.595 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.555 -4.253 3.923 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.869 -5.441 4.608 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.784 -3.011 4.546 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.310 -5.390 5.942 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.217 -2.959 5.881 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.458 -4.150 6.588 1.00 0.00 C ATOM 0 H PHE A 75 -10.035 -6.447 1.194 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.672 -4.025 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.108 -5.131 2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.249 -3.391 2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.771 -6.393 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.626 -2.095 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.535 -6.304 6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.365 -2.005 6.364 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.756 -4.113 7.625 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.712 -2.723 -0.328 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.297 -1.964 -1.498 1.00 0.00 C ATOM 1090 C LYS A 76 -10.285 -0.462 -1.213 1.00 0.00 C ATOM 1091 O LYS A 76 -10.979 0.028 -0.320 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.244 -2.248 -2.670 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.027 -3.644 -3.258 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.932 -3.821 -4.483 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.632 -5.118 -5.241 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.249 -5.143 -5.751 1.00 0.00 N ATOM 0 H LYS A 76 -11.540 -2.334 0.123 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.284 -2.276 -1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.276 -2.153 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.093 -1.500 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.982 -3.774 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.252 -4.405 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.975 -3.821 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.803 -2.972 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.792 -5.971 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.329 -5.223 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.211 -5.707 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.936 -4.172 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.623 -5.567 -5.037 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.485 0.261 -1.998 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.365 1.710 -1.917 1.00 0.00 C ATOM 1112 C CYS A 77 -10.472 2.338 -2.757 1.00 0.00 C ATOM 1113 O CYS A 77 -10.394 2.304 -3.986 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.988 2.161 -2.414 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.615 1.854 -1.284 1.00 0.00 S ATOM 0 H CYS A 77 -8.894 -0.154 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.466 2.032 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.779 1.657 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.030 3.229 -2.626 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.503 2.898 -2.117 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.636 3.531 -2.794 1.00 0.00 C ATOM 1122 C LEU A 78 -12.871 4.917 -2.197 1.00 0.00 C ATOM 1123 O LEU A 78 -12.345 5.218 -1.131 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.890 2.656 -2.645 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.760 1.269 -3.302 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.984 0.421 -2.941 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.667 1.371 -4.830 1.00 0.00 C ATOM 0 H LEU A 78 -11.574 2.924 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.417 3.637 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.108 2.527 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.740 3.178 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.844 0.809 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.895 -0.562 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.042 0.308 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.887 0.913 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.576 0.372 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.565 1.851 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.793 1.963 -5.103 1.00 0.00 H new ATOM 1139 N SER A 79 -13.645 5.782 -2.864 1.00 0.00 N ATOM 1140 CA SER A 79 -13.948 7.116 -2.336 1.00 0.00 C ATOM 1141 C SER A 79 -15.074 7.030 -1.297 1.00 0.00 C ATOM 1142 O SER A 79 -16.039 7.788 -1.377 1.00 0.00 O ATOM 1143 CB SER A 79 -14.327 8.078 -3.473 1.00 0.00 C ATOM 1144 OG SER A 79 -13.287 8.177 -4.428 1.00 0.00 O ATOM 0 H SER A 79 -14.072 5.582 -3.769 1.00 0.00 H new ATOM 0 HA SER A 79 -13.055 7.508 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.238 7.730 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.542 9.064 -3.062 1.00 0.00 H new ATOM 0 HG SER A 79 -13.555 8.794 -5.141 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.957 6.099 -0.351 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.904 5.805 0.707 1.00 0.00 C ATOM 1152 C LYS A 80 -15.190 4.789 1.602 1.00 0.00 C ATOM 1153 O LYS A 80 -15.577 4.661 2.784 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.218 5.267 0.100 1.00 0.00 C ATOM 1155 CG LYS A 80 -18.254 4.868 1.160 1.00 0.00 C ATOM 1156 CD LYS A 80 -18.171 3.366 1.474 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.732 3.026 2.858 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.951 3.680 3.925 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.246 4.161 1.069 1.00 0.00 O ATOM 0 H LYS A 80 -14.139 5.492 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.194 6.680 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.648 6.028 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.995 4.402 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.088 5.443 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.255 5.114 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.720 2.808 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.132 3.043 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.773 3.343 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.718 1.946 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.837 3.024 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.015 3.944 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.450 4.534 4.247 1.00 0.00 H new TER 1173 LYS A 80