USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 453 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -50:sc= 0.382 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.931 K(o=-0.55,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0804 (180deg=0) USER MOD Single : A 2 SER OG : rot -8:sc= 0.896 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.569 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.049 K(o=-0.049,f=-1.6!) USER MOD Single : A 15 ASN : amide:sc= -0.0913 K(o=-0.091,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.43! C(o=-2.4!,f=-12!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -155:sc= -0.962 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.644 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 60.107 -16.381 -11.147 1.00 0.00 N ATOM 2 CA GLY A 1 59.507 -15.908 -9.913 1.00 0.00 C ATOM 3 C GLY A 1 58.356 -14.953 -10.157 1.00 0.00 C ATOM 4 O GLY A 1 58.066 -14.599 -11.300 1.00 0.00 O ATOM 0 H1 GLY A 1 59.999 -17.413 -11.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 59.635 -15.932 -11.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 61.118 -16.138 -11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 59.151 -16.761 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 60.267 -15.410 -9.311 1.00 0.00 H new ATOM 8 N SER A 2 57.697 -14.535 -9.081 1.00 0.00 N ATOM 9 CA SER A 2 56.568 -13.619 -9.184 1.00 0.00 C ATOM 10 C SER A 2 55.534 -14.141 -10.177 1.00 0.00 C ATOM 11 O SER A 2 54.956 -13.375 -10.948 1.00 0.00 O ATOM 12 CB SER A 2 57.047 -12.230 -9.612 1.00 0.00 C ATOM 13 OG SER A 2 57.384 -12.209 -10.988 1.00 0.00 O ATOM 0 H SER A 2 57.926 -14.816 -8.128 1.00 0.00 H new ATOM 0 HA SER A 2 56.100 -13.547 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 2 56.266 -11.496 -9.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 57.914 -11.942 -9.018 1.00 0.00 H new ATOM 0 HG SER A 2 57.354 -13.121 -11.346 1.00 0.00 H new ATOM 19 N SER A 3 55.306 -15.450 -10.151 1.00 0.00 N ATOM 20 CA SER A 3 54.344 -16.077 -11.050 1.00 0.00 C ATOM 21 C SER A 3 53.400 -16.996 -10.282 1.00 0.00 C ATOM 22 O SER A 3 53.838 -17.888 -9.556 1.00 0.00 O ATOM 23 CB SER A 3 55.073 -16.869 -12.138 1.00 0.00 C ATOM 24 OG SER A 3 54.162 -17.371 -13.100 1.00 0.00 O ATOM 0 H SER A 3 55.774 -16.097 -9.517 1.00 0.00 H new ATOM 0 HA SER A 3 53.754 -15.289 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 55.808 -16.229 -12.627 1.00 0.00 H new ATOM 0 HB3 SER A 3 55.621 -17.695 -11.685 1.00 0.00 H new ATOM 0 HG SER A 3 54.652 -17.872 -13.785 1.00 0.00 H new ATOM 30 N GLY A 4 52.100 -16.771 -10.447 1.00 0.00 N ATOM 31 CA GLY A 4 51.114 -17.586 -9.763 1.00 0.00 C ATOM 32 C GLY A 4 50.015 -16.757 -9.128 1.00 0.00 C ATOM 33 O GLY A 4 50.226 -16.124 -8.094 1.00 0.00 O ATOM 0 H GLY A 4 51.713 -16.039 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 50.673 -18.287 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 51.608 -18.179 -8.993 1.00 0.00 H new ATOM 37 N SER A 5 48.840 -16.758 -9.750 1.00 0.00 N ATOM 38 CA SER A 5 47.706 -15.995 -9.242 1.00 0.00 C ATOM 39 C SER A 5 47.364 -16.414 -7.815 1.00 0.00 C ATOM 40 O SER A 5 46.977 -17.556 -7.568 1.00 0.00 O ATOM 41 CB SER A 5 46.489 -16.187 -10.148 1.00 0.00 C ATOM 42 OG SER A 5 46.121 -17.553 -10.225 1.00 0.00 O ATOM 0 H SER A 5 48.649 -17.278 -10.606 1.00 0.00 H new ATOM 0 HA SER A 5 47.983 -14.941 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 45.652 -15.603 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 46.712 -15.810 -11.146 1.00 0.00 H new ATOM 0 HG SER A 5 46.380 -18.009 -9.397 1.00 0.00 H new ATOM 48 N SER A 6 47.511 -15.482 -6.880 1.00 0.00 N ATOM 49 CA SER A 6 47.221 -15.754 -5.477 1.00 0.00 C ATOM 50 C SER A 6 46.028 -14.933 -4.998 1.00 0.00 C ATOM 51 O SER A 6 45.564 -14.029 -5.692 1.00 0.00 O ATOM 52 CB SER A 6 48.446 -15.447 -4.612 1.00 0.00 C ATOM 53 OG SER A 6 48.614 -14.050 -4.445 1.00 0.00 O ATOM 0 H SER A 6 47.829 -14.531 -7.068 1.00 0.00 H new ATOM 0 HA SER A 6 46.973 -16.811 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.335 -15.922 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.337 -15.871 -5.074 1.00 0.00 H new ATOM 0 HG SER A 6 49.402 -13.880 -3.888 1.00 0.00 H new ATOM 59 N GLY A 7 45.535 -15.255 -3.806 1.00 0.00 N ATOM 60 CA GLY A 7 44.400 -14.539 -3.255 1.00 0.00 C ATOM 61 C GLY A 7 43.485 -15.437 -2.446 1.00 0.00 C ATOM 62 O GLY A 7 43.437 -16.647 -2.668 1.00 0.00 O ATOM 0 H GLY A 7 45.902 -15.999 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.759 -13.727 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 43.833 -14.084 -4.067 1.00 0.00 H new ATOM 66 N MET A 8 42.757 -14.845 -1.505 1.00 0.00 N ATOM 67 CA MET A 8 41.839 -15.600 -0.660 1.00 0.00 C ATOM 68 C MET A 8 40.409 -15.495 -1.181 1.00 0.00 C ATOM 69 O MET A 8 39.767 -14.454 -1.052 1.00 0.00 O ATOM 70 CB MET A 8 41.907 -15.096 0.782 1.00 0.00 C ATOM 71 CG MET A 8 41.326 -16.069 1.795 1.00 0.00 C ATOM 72 SD MET A 8 41.832 -15.697 3.485 1.00 0.00 S ATOM 73 CE MET A 8 42.910 -17.086 3.829 1.00 0.00 C ATOM 0 H MET A 8 42.785 -13.845 -1.308 1.00 0.00 H new ATOM 0 HA MET A 8 42.140 -16.647 -0.685 1.00 0.00 H new ATOM 0 HB2 MET A 8 42.947 -14.895 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 8 41.372 -14.149 0.853 1.00 0.00 H new ATOM 0 HG2 MET A 8 40.238 -16.046 1.732 1.00 0.00 H new ATOM 0 HG3 MET A 8 41.639 -17.082 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 8 43.304 -16.999 4.842 1.00 0.00 H new ATOM 0 HE2 MET A 8 42.347 -18.015 3.737 1.00 0.00 H new ATOM 0 HE3 MET A 8 43.736 -17.090 3.118 1.00 0.00 H new ATOM 83 N ALA A 9 39.918 -16.580 -1.771 1.00 0.00 N ATOM 84 CA ALA A 9 38.564 -16.610 -2.309 1.00 0.00 C ATOM 85 C ALA A 9 37.773 -17.784 -1.743 1.00 0.00 C ATOM 86 O ALA A 9 38.173 -18.940 -1.883 1.00 0.00 O ATOM 87 CB ALA A 9 38.602 -16.681 -3.829 1.00 0.00 C ATOM 0 H ALA A 9 40.438 -17.450 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 9 38.061 -15.690 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 9 37.584 -16.703 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 9 39.122 -15.807 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 9 39.128 -17.584 -4.138 1.00 0.00 H new ATOM 93 N SER A 10 36.649 -17.480 -1.101 1.00 0.00 N ATOM 94 CA SER A 10 35.804 -18.511 -0.509 1.00 0.00 C ATOM 95 C SER A 10 34.343 -18.071 -0.491 1.00 0.00 C ATOM 96 O SER A 10 34.029 -16.937 -0.132 1.00 0.00 O ATOM 97 CB SER A 10 36.271 -18.828 0.913 1.00 0.00 C ATOM 98 OG SER A 10 35.431 -19.792 1.522 1.00 0.00 O ATOM 0 H SER A 10 36.303 -16.529 -0.978 1.00 0.00 H new ATOM 0 HA SER A 10 35.887 -19.410 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 10 37.296 -19.198 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 10 36.275 -17.916 1.510 1.00 0.00 H new ATOM 0 HG SER A 10 35.751 -19.979 2.429 1.00 0.00 H new ATOM 104 N GLY A 11 33.454 -18.979 -0.882 1.00 0.00 N ATOM 105 CA GLY A 11 32.037 -18.667 -0.903 1.00 0.00 C ATOM 106 C GLY A 11 31.478 -18.413 0.482 1.00 0.00 C ATOM 107 O GLY A 11 31.444 -19.314 1.320 1.00 0.00 O ATOM 0 H GLY A 11 33.690 -19.924 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.871 -17.787 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 11 31.494 -19.491 -1.365 1.00 0.00 H new ATOM 111 N GLN A 12 31.040 -17.182 0.725 1.00 0.00 N ATOM 112 CA GLN A 12 30.482 -16.811 2.020 1.00 0.00 C ATOM 113 C GLN A 12 29.498 -15.654 1.879 1.00 0.00 C ATOM 114 O GLN A 12 29.855 -14.577 1.400 1.00 0.00 O ATOM 115 CB GLN A 12 31.601 -16.429 2.991 1.00 0.00 C ATOM 116 CG GLN A 12 31.207 -16.552 4.453 1.00 0.00 C ATOM 117 CD GLN A 12 31.235 -17.985 4.946 1.00 0.00 C ATOM 118 OE1 GLN A 12 31.830 -18.860 4.315 1.00 0.00 O ATOM 119 NE2 GLN A 12 30.591 -18.234 6.080 1.00 0.00 N ATOM 0 H GLN A 12 31.061 -16.425 0.042 1.00 0.00 H new ATOM 0 HA GLN A 12 29.945 -17.673 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 12 32.467 -17.064 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 12 31.909 -15.403 2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 12 31.883 -15.950 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.206 -16.144 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 12 30.111 -17.479 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 12 30.576 -19.180 6.461 1.00 0.00 H new ATOM 128 N PHE A 13 28.258 -15.884 2.298 1.00 0.00 N ATOM 129 CA PHE A 13 27.222 -14.861 2.217 1.00 0.00 C ATOM 130 C PHE A 13 26.160 -15.076 3.291 1.00 0.00 C ATOM 131 O PHE A 13 25.775 -16.209 3.580 1.00 0.00 O ATOM 132 CB PHE A 13 26.573 -14.871 0.832 1.00 0.00 C ATOM 133 CG PHE A 13 25.734 -16.090 0.572 1.00 0.00 C ATOM 134 CD1 PHE A 13 26.322 -17.338 0.444 1.00 0.00 C ATOM 135 CD2 PHE A 13 24.357 -15.987 0.457 1.00 0.00 C ATOM 136 CE1 PHE A 13 25.552 -18.460 0.204 1.00 0.00 C ATOM 137 CE2 PHE A 13 23.582 -17.106 0.218 1.00 0.00 C ATOM 138 CZ PHE A 13 24.180 -18.344 0.092 1.00 0.00 C ATOM 0 H PHE A 13 27.946 -16.769 2.697 1.00 0.00 H new ATOM 0 HA PHE A 13 27.690 -13.891 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 13 25.951 -13.982 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 13 27.353 -14.808 0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 13 27.394 -17.435 0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 13 23.884 -15.021 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 13 26.022 -19.427 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 13 22.510 -17.012 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 13 23.576 -19.220 -0.094 1.00 0.00 H new ATOM 148 N VAL A 14 25.690 -13.981 3.878 1.00 0.00 N ATOM 149 CA VAL A 14 24.671 -14.049 4.920 1.00 0.00 C ATOM 150 C VAL A 14 23.297 -13.684 4.369 1.00 0.00 C ATOM 151 O VAL A 14 23.130 -12.649 3.725 1.00 0.00 O ATOM 152 CB VAL A 14 25.007 -13.111 6.095 1.00 0.00 C ATOM 153 CG1 VAL A 14 25.221 -11.689 5.599 1.00 0.00 C ATOM 154 CG2 VAL A 14 23.907 -13.158 7.144 1.00 0.00 C ATOM 0 H VAL A 14 25.998 -13.036 3.650 1.00 0.00 H new ATOM 0 HA VAL A 14 24.653 -15.078 5.280 1.00 0.00 H new ATOM 0 HB VAL A 14 25.934 -13.452 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 14 25.457 -11.041 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.046 -11.672 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 14 24.313 -11.333 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 14 24.160 -12.490 7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 14 22.964 -12.842 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 23.807 -14.176 7.521 1.00 0.00 H new ATOM 164 N ASN A 15 22.316 -14.542 4.628 1.00 0.00 N ATOM 165 CA ASN A 15 20.955 -14.310 4.158 1.00 0.00 C ATOM 166 C ASN A 15 20.436 -12.959 4.639 1.00 0.00 C ATOM 167 O ASN A 15 21.027 -12.331 5.518 1.00 0.00 O ATOM 168 CB ASN A 15 20.028 -15.427 4.643 1.00 0.00 C ATOM 169 CG ASN A 15 20.062 -16.642 3.735 1.00 0.00 C ATOM 170 OD1 ASN A 15 20.719 -16.634 2.694 1.00 0.00 O ATOM 171 ND2 ASN A 15 19.353 -17.693 4.128 1.00 0.00 N ATOM 0 H ASN A 15 22.438 -15.404 5.160 1.00 0.00 H new ATOM 0 HA ASN A 15 20.970 -14.306 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 15 20.317 -15.723 5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.007 -15.049 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.338 -18.540 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.823 -17.654 4.999 1.00 0.00 H new ATOM 178 N LYS A 16 19.326 -12.516 4.057 1.00 0.00 N ATOM 179 CA LYS A 16 18.724 -11.240 4.427 1.00 0.00 C ATOM 180 C LYS A 16 17.835 -11.394 5.656 1.00 0.00 C ATOM 181 O LYS A 16 17.233 -12.447 5.872 1.00 0.00 O ATOM 182 CB LYS A 16 17.907 -10.681 3.260 1.00 0.00 C ATOM 183 CG LYS A 16 18.746 -9.952 2.225 1.00 0.00 C ATOM 184 CD LYS A 16 19.630 -10.912 1.446 1.00 0.00 C ATOM 185 CE LYS A 16 18.834 -11.684 0.406 1.00 0.00 C ATOM 186 NZ LYS A 16 19.688 -12.646 -0.344 1.00 0.00 N ATOM 0 H LYS A 16 18.825 -13.022 3.327 1.00 0.00 H new ATOM 0 HA LYS A 16 19.527 -10.543 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.376 -11.500 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.152 -9.998 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.092 -9.418 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.366 -9.205 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.429 -10.356 0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.105 -11.611 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.023 -12.223 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.375 -10.985 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.108 -13.153 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.447 -12.129 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.106 -13.329 0.319 1.00 0.00 H new ATOM 200 N LEU A 17 17.755 -10.338 6.459 1.00 0.00 N ATOM 201 CA LEU A 17 16.937 -10.355 7.666 1.00 0.00 C ATOM 202 C LEU A 17 15.634 -9.591 7.453 1.00 0.00 C ATOM 203 O LEU A 17 14.837 -9.434 8.377 1.00 0.00 O ATOM 204 CB LEU A 17 17.710 -9.750 8.839 1.00 0.00 C ATOM 205 CG LEU A 17 18.458 -8.448 8.548 1.00 0.00 C ATOM 206 CD1 LEU A 17 18.534 -7.585 9.798 1.00 0.00 C ATOM 207 CD2 LEU A 17 19.853 -8.742 8.015 1.00 0.00 C ATOM 0 H LEU A 17 18.247 -9.460 6.295 1.00 0.00 H new ATOM 0 HA LEU A 17 16.695 -11.393 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.010 -9.569 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.430 -10.488 9.194 1.00 0.00 H new ATOM 0 HG LEU A 17 17.907 -7.898 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.070 -6.663 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 17.526 -7.345 10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.061 -8.127 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 17 20.371 -7.804 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.413 -9.313 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.776 -9.319 7.094 1.00 0.00 H new ATOM 219 N GLN A 18 15.424 -9.121 6.227 1.00 0.00 N ATOM 220 CA GLN A 18 14.217 -8.374 5.893 1.00 0.00 C ATOM 221 C GLN A 18 13.516 -8.987 4.685 1.00 0.00 C ATOM 222 O GLN A 18 14.122 -9.166 3.629 1.00 0.00 O ATOM 223 CB GLN A 18 14.559 -6.910 5.610 1.00 0.00 C ATOM 224 CG GLN A 18 15.660 -6.731 4.577 1.00 0.00 C ATOM 225 CD GLN A 18 17.032 -7.080 5.120 1.00 0.00 C ATOM 226 OE1 GLN A 18 17.559 -8.162 4.858 1.00 0.00 O ATOM 227 NE2 GLN A 18 17.618 -6.164 5.882 1.00 0.00 N ATOM 0 H GLN A 18 16.073 -9.244 5.450 1.00 0.00 H new ATOM 0 HA GLN A 18 13.541 -8.423 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.662 -6.396 5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.864 -6.430 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.446 -7.358 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.663 -5.698 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.145 -5.281 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.542 -6.343 6.276 1.00 0.00 H new ATOM 236 N GLU A 19 12.236 -9.306 4.849 1.00 0.00 N ATOM 237 CA GLU A 19 11.453 -9.900 3.771 1.00 0.00 C ATOM 238 C GLU A 19 11.156 -8.872 2.684 1.00 0.00 C ATOM 239 O GLU A 19 11.185 -7.667 2.931 1.00 0.00 O ATOM 240 CB GLU A 19 10.144 -10.473 4.318 1.00 0.00 C ATOM 241 CG GLU A 19 9.294 -11.163 3.264 1.00 0.00 C ATOM 242 CD GLU A 19 8.020 -11.753 3.836 1.00 0.00 C ATOM 243 OE1 GLU A 19 7.029 -11.006 3.972 1.00 0.00 O ATOM 244 OE2 GLU A 19 8.014 -12.962 4.148 1.00 0.00 O ATOM 0 H GLU A 19 11.719 -9.163 5.717 1.00 0.00 H new ATOM 0 HA GLU A 19 12.040 -10.707 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.372 -11.185 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.565 -9.667 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.039 -10.447 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.877 -11.955 2.794 1.00 0.00 H new ATOM 251 N GLU A 20 10.870 -9.357 1.480 1.00 0.00 N ATOM 252 CA GLU A 20 10.569 -8.480 0.355 1.00 0.00 C ATOM 253 C GLU A 20 9.062 -8.356 0.150 1.00 0.00 C ATOM 254 O GLU A 20 8.337 -9.351 0.172 1.00 0.00 O ATOM 255 CB GLU A 20 11.227 -9.008 -0.922 1.00 0.00 C ATOM 256 CG GLU A 20 12.732 -9.178 -0.806 1.00 0.00 C ATOM 257 CD GLU A 20 13.126 -10.551 -0.294 1.00 0.00 C ATOM 258 OE1 GLU A 20 13.258 -11.476 -1.123 1.00 0.00 O ATOM 259 OE2 GLU A 20 13.302 -10.699 0.933 1.00 0.00 O ATOM 0 H GLU A 20 10.840 -10.352 1.259 1.00 0.00 H new ATOM 0 HA GLU A 20 10.970 -7.492 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.780 -9.968 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.009 -8.324 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.189 -9.013 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.129 -8.416 -0.135 1.00 0.00 H new ATOM 266 N VAL A 21 8.597 -7.127 -0.049 1.00 0.00 N ATOM 267 CA VAL A 21 7.177 -6.871 -0.258 1.00 0.00 C ATOM 268 C VAL A 21 6.958 -5.545 -0.979 1.00 0.00 C ATOM 269 O VAL A 21 7.737 -4.605 -0.821 1.00 0.00 O ATOM 270 CB VAL A 21 6.408 -6.850 1.076 1.00 0.00 C ATOM 271 CG1 VAL A 21 7.027 -5.844 2.034 1.00 0.00 C ATOM 272 CG2 VAL A 21 4.938 -6.538 0.838 1.00 0.00 C ATOM 0 H VAL A 21 9.183 -6.293 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 21 6.796 -7.685 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 21 6.477 -7.838 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.470 -5.843 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.064 -6.117 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.991 -4.849 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.409 -6.527 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.846 -5.562 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.504 -7.301 0.191 1.00 0.00 H new ATOM 282 N ILE A 22 5.893 -5.478 -1.770 1.00 0.00 N ATOM 283 CA ILE A 22 5.570 -4.266 -2.514 1.00 0.00 C ATOM 284 C ILE A 22 4.088 -3.929 -2.399 1.00 0.00 C ATOM 285 O ILE A 22 3.257 -4.805 -2.156 1.00 0.00 O ATOM 286 CB ILE A 22 5.940 -4.405 -4.003 1.00 0.00 C ATOM 287 CG1 ILE A 22 7.409 -4.806 -4.151 1.00 0.00 C ATOM 288 CG2 ILE A 22 5.663 -3.103 -4.741 1.00 0.00 C ATOM 289 CD1 ILE A 22 7.724 -5.467 -5.475 1.00 0.00 C ATOM 0 H ILE A 22 5.239 -6.248 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 22 6.158 -3.460 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 22 5.324 -5.188 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.032 -3.919 -4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.675 -5.486 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.929 -3.217 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.604 -2.857 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.257 -2.302 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.783 -5.724 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.127 -6.373 -5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.490 -4.781 -6.289 1.00 0.00 H new ATOM 301 N CYS A 23 3.761 -2.653 -2.577 1.00 0.00 N ATOM 302 CA CYS A 23 2.379 -2.198 -2.495 1.00 0.00 C ATOM 303 C CYS A 23 1.690 -2.302 -3.853 1.00 0.00 C ATOM 304 O CYS A 23 2.089 -1.666 -4.829 1.00 0.00 O ATOM 305 CB CYS A 23 2.324 -0.755 -1.992 1.00 0.00 C ATOM 306 SG CYS A 23 0.724 -0.283 -1.260 1.00 0.00 S ATOM 0 H CYS A 23 4.436 -1.915 -2.779 1.00 0.00 H new ATOM 0 HA CYS A 23 1.852 -2.841 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.108 -0.610 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.544 -0.084 -2.822 1.00 0.00 H new ATOM 311 N PRO A 24 0.632 -3.123 -3.919 1.00 0.00 N ATOM 312 CA PRO A 24 -0.135 -3.329 -5.151 1.00 0.00 C ATOM 313 C PRO A 24 -0.943 -2.096 -5.544 1.00 0.00 C ATOM 314 O PRO A 24 -1.634 -2.095 -6.563 1.00 0.00 O ATOM 315 CB PRO A 24 -1.069 -4.489 -4.798 1.00 0.00 C ATOM 316 CG PRO A 24 -1.214 -4.422 -3.317 1.00 0.00 C ATOM 317 CD PRO A 24 0.101 -3.912 -2.795 1.00 0.00 C ATOM 0 HA PRO A 24 0.512 -3.529 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.034 -4.386 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.649 -5.445 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.030 -3.757 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.444 -5.404 -2.903 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.031 -3.301 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.771 -4.729 -2.526 1.00 0.00 H new ATOM 325 N ILE A 25 -0.850 -1.050 -4.731 1.00 0.00 N ATOM 326 CA ILE A 25 -1.571 0.189 -4.995 1.00 0.00 C ATOM 327 C ILE A 25 -0.670 1.215 -5.675 1.00 0.00 C ATOM 328 O ILE A 25 -0.889 1.582 -6.830 1.00 0.00 O ATOM 329 CB ILE A 25 -2.138 0.799 -3.700 1.00 0.00 C ATOM 330 CG1 ILE A 25 -3.016 -0.222 -2.972 1.00 0.00 C ATOM 331 CG2 ILE A 25 -2.929 2.061 -4.010 1.00 0.00 C ATOM 332 CD1 ILE A 25 -3.001 -0.068 -1.467 1.00 0.00 C ATOM 0 H ILE A 25 -0.282 -1.035 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.397 -0.063 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.307 1.067 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.042 -0.127 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.681 -1.227 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.323 2.480 -3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.277 2.791 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.755 1.818 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.645 -0.824 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.983 -0.193 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.365 0.924 -1.199 1.00 0.00 H new ATOM 344 N CYS A 26 0.345 1.674 -4.951 1.00 0.00 N ATOM 345 CA CYS A 26 1.282 2.657 -5.483 1.00 0.00 C ATOM 346 C CYS A 26 2.397 1.975 -6.270 1.00 0.00 C ATOM 347 O CYS A 26 3.024 2.586 -7.136 1.00 0.00 O ATOM 348 CB CYS A 26 1.880 3.489 -4.347 1.00 0.00 C ATOM 349 SG CYS A 26 2.405 2.509 -2.904 1.00 0.00 S ATOM 0 H CYS A 26 0.540 1.381 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 26 0.735 3.315 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.738 4.042 -4.729 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.144 4.226 -4.024 1.00 0.00 H new ATOM 354 N LEU A 27 2.639 0.705 -5.963 1.00 0.00 N ATOM 355 CA LEU A 27 3.678 -0.061 -6.642 1.00 0.00 C ATOM 356 C LEU A 27 5.062 0.496 -6.322 1.00 0.00 C ATOM 357 O LEU A 27 5.885 0.690 -7.216 1.00 0.00 O ATOM 358 CB LEU A 27 3.447 -0.045 -8.154 1.00 0.00 C ATOM 359 CG LEU A 27 2.051 -0.459 -8.623 1.00 0.00 C ATOM 360 CD1 LEU A 27 1.849 -0.091 -10.085 1.00 0.00 C ATOM 361 CD2 LEU A 27 1.838 -1.951 -8.412 1.00 0.00 C ATOM 0 H LEU A 27 2.130 0.184 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 27 3.628 -1.089 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.649 0.961 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.177 -0.707 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 27 1.314 0.080 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.851 -0.393 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.958 0.987 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.593 -0.603 -10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.840 -2.228 -8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.582 -2.509 -8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.940 -2.187 -7.353 1.00 0.00 H new ATOM 373 N ASP A 28 5.311 0.748 -5.042 1.00 0.00 N ATOM 374 CA ASP A 28 6.596 1.279 -4.603 1.00 0.00 C ATOM 375 C ASP A 28 7.075 0.570 -3.340 1.00 0.00 C ATOM 376 O ASP A 28 6.304 -0.124 -2.676 1.00 0.00 O ATOM 377 CB ASP A 28 6.490 2.784 -4.349 1.00 0.00 C ATOM 378 CG ASP A 28 7.820 3.493 -4.510 1.00 0.00 C ATOM 379 OD1 ASP A 28 8.397 3.429 -5.616 1.00 0.00 O ATOM 380 OD2 ASP A 28 8.284 4.113 -3.530 1.00 0.00 O ATOM 0 H ASP A 28 4.640 0.593 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 28 7.324 1.102 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.765 3.216 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.111 2.954 -3.341 1.00 0.00 H new ATOM 385 N ILE A 29 8.351 0.747 -3.016 1.00 0.00 N ATOM 386 CA ILE A 29 8.932 0.124 -1.833 1.00 0.00 C ATOM 387 C ILE A 29 8.122 0.454 -0.584 1.00 0.00 C ATOM 388 O ILE A 29 7.690 1.591 -0.393 1.00 0.00 O ATOM 389 CB ILE A 29 10.390 0.573 -1.619 1.00 0.00 C ATOM 390 CG1 ILE A 29 11.251 0.171 -2.818 1.00 0.00 C ATOM 391 CG2 ILE A 29 10.946 -0.027 -0.336 1.00 0.00 C ATOM 392 CD1 ILE A 29 11.158 -1.298 -3.165 1.00 0.00 C ATOM 0 H ILE A 29 9.002 1.317 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 29 8.913 -0.953 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 29 10.411 1.659 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.950 0.760 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.291 0.421 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.977 0.299 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.345 0.304 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.915 -1.115 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.794 -1.510 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.487 -1.894 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.126 -1.550 -3.407 1.00 0.00 H new ATOM 404 N LEU A 30 7.920 -0.548 0.265 1.00 0.00 N ATOM 405 CA LEU A 30 7.163 -0.365 1.498 1.00 0.00 C ATOM 406 C LEU A 30 8.059 0.163 2.614 1.00 0.00 C ATOM 407 O LEU A 30 8.823 -0.589 3.217 1.00 0.00 O ATOM 408 CB LEU A 30 6.521 -1.686 1.926 1.00 0.00 C ATOM 409 CG LEU A 30 5.082 -1.914 1.463 1.00 0.00 C ATOM 410 CD1 LEU A 30 5.058 -2.713 0.169 1.00 0.00 C ATOM 411 CD2 LEU A 30 4.280 -2.623 2.545 1.00 0.00 C ATOM 0 H LEU A 30 8.270 -1.495 0.122 1.00 0.00 H new ATOM 0 HA LEU A 30 6.379 0.369 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.136 -2.504 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.545 -1.742 3.014 1.00 0.00 H new ATOM 0 HG LEU A 30 4.623 -0.944 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.026 -2.866 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.596 -2.167 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.535 -3.680 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.258 -2.777 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.738 -3.587 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.269 -2.013 3.448 1.00 0.00 H new ATOM 423 N GLN A 31 7.957 1.461 2.882 1.00 0.00 N ATOM 424 CA GLN A 31 8.758 2.089 3.927 1.00 0.00 C ATOM 425 C GLN A 31 8.433 1.495 5.293 1.00 0.00 C ATOM 426 O GLN A 31 9.246 1.550 6.216 1.00 0.00 O ATOM 427 CB GLN A 31 8.517 3.600 3.944 1.00 0.00 C ATOM 428 CG GLN A 31 9.384 4.365 2.957 1.00 0.00 C ATOM 429 CD GLN A 31 9.239 5.868 3.096 1.00 0.00 C ATOM 430 OE1 GLN A 31 8.637 6.526 2.247 1.00 0.00 O ATOM 431 NE2 GLN A 31 9.792 6.419 4.170 1.00 0.00 N ATOM 0 H GLN A 31 7.329 2.097 2.391 1.00 0.00 H new ATOM 0 HA GLN A 31 9.809 1.898 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.468 3.795 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.705 3.978 4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.428 4.089 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.119 4.070 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.282 5.835 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.727 7.426 4.317 1.00 0.00 H new ATOM 440 N LYS A 32 7.237 0.928 5.417 1.00 0.00 N ATOM 441 CA LYS A 32 6.804 0.323 6.671 1.00 0.00 C ATOM 442 C LYS A 32 5.703 -0.705 6.426 1.00 0.00 C ATOM 443 O LYS A 32 4.541 -0.364 6.203 1.00 0.00 O ATOM 444 CB LYS A 32 6.305 1.400 7.636 1.00 0.00 C ATOM 445 CG LYS A 32 5.192 2.262 7.063 1.00 0.00 C ATOM 446 CD LYS A 32 5.207 3.660 7.659 1.00 0.00 C ATOM 447 CE LYS A 32 4.681 3.663 9.086 1.00 0.00 C ATOM 448 NZ LYS A 32 5.035 4.919 9.804 1.00 0.00 N ATOM 0 H LYS A 32 6.551 0.875 4.664 1.00 0.00 H new ATOM 0 HA LYS A 32 7.660 -0.185 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.950 0.922 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.141 2.040 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.301 2.326 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.228 1.792 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.224 4.052 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.600 4.325 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.598 3.544 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.089 2.809 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.659 4.883 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.070 5.020 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.624 5.733 9.303 1.00 0.00 H new ATOM 462 N PRO A 33 6.074 -1.993 6.470 1.00 0.00 N ATOM 463 CA PRO A 33 5.132 -3.096 6.257 1.00 0.00 C ATOM 464 C PRO A 33 4.141 -3.241 7.407 1.00 0.00 C ATOM 465 O PRO A 33 4.531 -3.295 8.573 1.00 0.00 O ATOM 466 CB PRO A 33 6.040 -4.326 6.175 1.00 0.00 C ATOM 467 CG PRO A 33 7.260 -3.949 6.942 1.00 0.00 C ATOM 468 CD PRO A 33 7.442 -2.472 6.730 1.00 0.00 C ATOM 0 HA PRO A 33 4.518 -2.943 5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.557 -5.204 6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.283 -4.571 5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.142 -4.180 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.130 -4.504 6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.876 -1.991 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.106 -2.265 5.891 1.00 0.00 H new ATOM 476 N VAL A 34 2.857 -3.305 7.070 1.00 0.00 N ATOM 477 CA VAL A 34 1.809 -3.446 8.075 1.00 0.00 C ATOM 478 C VAL A 34 0.853 -4.578 7.716 1.00 0.00 C ATOM 479 O VAL A 34 -0.019 -4.422 6.861 1.00 0.00 O ATOM 480 CB VAL A 34 1.006 -2.141 8.235 1.00 0.00 C ATOM 481 CG1 VAL A 34 -0.051 -2.294 9.318 1.00 0.00 C ATOM 482 CG2 VAL A 34 1.936 -0.978 8.546 1.00 0.00 C ATOM 0 H VAL A 34 2.517 -3.262 6.109 1.00 0.00 H new ATOM 0 HA VAL A 34 2.303 -3.677 9.018 1.00 0.00 H new ATOM 0 HB VAL A 34 0.499 -1.929 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.608 -1.362 9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.735 -3.099 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.431 -2.531 10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.352 -0.064 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.473 -1.179 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.651 -0.856 7.732 1.00 0.00 H new ATOM 492 N THR A 35 1.022 -5.719 8.377 1.00 0.00 N ATOM 493 CA THR A 35 0.175 -6.879 8.128 1.00 0.00 C ATOM 494 C THR A 35 -1.242 -6.644 8.640 1.00 0.00 C ATOM 495 O THR A 35 -1.466 -6.540 9.846 1.00 0.00 O ATOM 496 CB THR A 35 0.746 -8.145 8.793 1.00 0.00 C ATOM 497 OG1 THR A 35 2.167 -8.190 8.622 1.00 0.00 O ATOM 498 CG2 THR A 35 0.119 -9.398 8.200 1.00 0.00 C ATOM 0 H THR A 35 1.738 -5.864 9.089 1.00 0.00 H new ATOM 0 HA THR A 35 0.149 -7.026 7.048 1.00 0.00 H new ATOM 0 HB THR A 35 0.509 -8.108 9.856 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.387 -8.049 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.538 -10.279 8.686 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.959 -9.375 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.328 -9.439 7.131 1.00 0.00 H new ATOM 506 N ILE A 36 -2.194 -6.564 7.717 1.00 0.00 N ATOM 507 CA ILE A 36 -3.589 -6.344 8.076 1.00 0.00 C ATOM 508 C ILE A 36 -4.305 -7.665 8.335 1.00 0.00 C ATOM 509 O ILE A 36 -3.868 -8.720 7.875 1.00 0.00 O ATOM 510 CB ILE A 36 -4.340 -5.573 6.974 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.642 -5.760 5.625 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.431 -4.097 7.329 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.376 -5.115 4.471 1.00 0.00 C ATOM 0 H ILE A 36 -2.025 -6.648 6.715 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.589 -5.748 8.989 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.352 -5.971 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.637 -5.343 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.534 -6.826 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.964 -3.565 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.967 -3.982 8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.427 -3.684 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.824 -5.288 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.372 -5.549 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.461 -4.043 4.648 1.00 0.00 H new ATOM 525 N ASP A 37 -5.408 -7.599 9.072 1.00 0.00 N ATOM 526 CA ASP A 37 -6.188 -8.790 9.390 1.00 0.00 C ATOM 527 C ASP A 37 -6.533 -9.568 8.124 1.00 0.00 C ATOM 528 O ASP A 37 -6.924 -10.734 8.185 1.00 0.00 O ATOM 529 CB ASP A 37 -7.469 -8.405 10.131 1.00 0.00 C ATOM 530 CG ASP A 37 -7.228 -7.346 11.190 1.00 0.00 C ATOM 531 OD1 ASP A 37 -6.364 -7.566 12.063 1.00 0.00 O ATOM 532 OD2 ASP A 37 -7.906 -6.298 11.146 1.00 0.00 O ATOM 0 H ASP A 37 -5.783 -6.734 9.461 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.583 -9.428 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.204 -8.038 9.414 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.896 -9.292 10.599 1.00 0.00 H new ATOM 537 N CYS A 38 -6.386 -8.914 6.976 1.00 0.00 N ATOM 538 CA CYS A 38 -6.683 -9.543 5.694 1.00 0.00 C ATOM 539 C CYS A 38 -5.617 -10.574 5.334 1.00 0.00 C ATOM 540 O CYS A 38 -5.902 -11.570 4.670 1.00 0.00 O ATOM 541 CB CYS A 38 -6.777 -8.484 4.593 1.00 0.00 C ATOM 542 SG CYS A 38 -5.189 -8.115 3.780 1.00 0.00 S ATOM 0 H CYS A 38 -6.063 -7.949 6.907 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.642 -10.054 5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.489 -8.821 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.176 -7.565 5.021 1.00 0.00 H new ATOM 547 N GLY A 39 -4.389 -10.327 5.778 1.00 0.00 N ATOM 548 CA GLY A 39 -3.299 -11.243 5.493 1.00 0.00 C ATOM 549 C GLY A 39 -2.166 -10.578 4.737 1.00 0.00 C ATOM 550 O GLY A 39 -1.002 -10.695 5.119 1.00 0.00 O ATOM 0 H GLY A 39 -4.129 -9.510 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.917 -11.651 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.677 -12.083 4.910 1.00 0.00 H new ATOM 554 N HIS A 40 -2.507 -9.880 3.658 1.00 0.00 N ATOM 555 CA HIS A 40 -1.509 -9.195 2.844 1.00 0.00 C ATOM 556 C HIS A 40 -1.017 -7.929 3.540 1.00 0.00 C ATOM 557 O HIS A 40 -1.607 -7.479 4.521 1.00 0.00 O ATOM 558 CB HIS A 40 -2.090 -8.845 1.474 1.00 0.00 C ATOM 559 CG HIS A 40 -2.931 -9.935 0.884 1.00 0.00 C ATOM 560 ND1 HIS A 40 -4.296 -9.826 0.718 1.00 0.00 N ATOM 561 CD2 HIS A 40 -2.593 -11.160 0.418 1.00 0.00 C ATOM 562 CE1 HIS A 40 -4.761 -10.938 0.177 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.748 -11.763 -0.015 1.00 0.00 N ATOM 0 H HIS A 40 -3.466 -9.774 3.327 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.662 -9.867 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.692 -7.941 1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.273 -8.617 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.600 -11.584 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.794 -11.138 -0.067 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.813 -12.697 -0.420 1.00 0.00 H new ATOM 571 N ASN A 41 0.068 -7.360 3.024 1.00 0.00 N ATOM 572 CA ASN A 41 0.640 -6.147 3.597 1.00 0.00 C ATOM 573 C ASN A 41 0.385 -4.946 2.691 1.00 0.00 C ATOM 574 O ASN A 41 -0.015 -5.098 1.537 1.00 0.00 O ATOM 575 CB ASN A 41 2.143 -6.322 3.819 1.00 0.00 C ATOM 576 CG ASN A 41 2.459 -7.479 4.747 1.00 0.00 C ATOM 577 OD1 ASN A 41 1.767 -7.699 5.741 1.00 0.00 O ATOM 578 ND2 ASN A 41 3.510 -8.226 4.426 1.00 0.00 N ATOM 0 H ASN A 41 0.568 -7.719 2.211 1.00 0.00 H new ATOM 0 HA ASN A 41 0.157 -5.966 4.557 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.633 -6.485 2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.556 -5.403 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.771 -9.018 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.056 -8.007 3.592 1.00 0.00 H new ATOM 585 N PHE A 42 0.621 -3.750 3.222 1.00 0.00 N ATOM 586 CA PHE A 42 0.417 -2.522 2.463 1.00 0.00 C ATOM 587 C PHE A 42 1.231 -1.375 3.054 1.00 0.00 C ATOM 588 O PHE A 42 1.600 -1.402 4.229 1.00 0.00 O ATOM 589 CB PHE A 42 -1.068 -2.151 2.441 1.00 0.00 C ATOM 590 CG PHE A 42 -1.896 -3.045 1.563 1.00 0.00 C ATOM 591 CD1 PHE A 42 -2.366 -4.260 2.035 1.00 0.00 C ATOM 592 CD2 PHE A 42 -2.205 -2.670 0.265 1.00 0.00 C ATOM 593 CE1 PHE A 42 -3.128 -5.084 1.229 1.00 0.00 C ATOM 594 CE2 PHE A 42 -2.967 -3.489 -0.545 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.430 -4.698 -0.063 1.00 0.00 C ATOM 0 H PHE A 42 0.954 -3.606 4.175 1.00 0.00 H new ATOM 0 HA PHE A 42 0.756 -2.696 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.459 -2.190 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.172 -1.121 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.134 -4.566 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.846 -1.726 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.487 -6.029 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.201 -3.184 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.026 -5.340 -0.694 1.00 0.00 H new ATOM 605 N CYS A 43 1.507 -0.368 2.233 1.00 0.00 N ATOM 606 CA CYS A 43 2.278 0.788 2.672 1.00 0.00 C ATOM 607 C CYS A 43 1.397 1.769 3.440 1.00 0.00 C ATOM 608 O CYS A 43 0.277 2.071 3.026 1.00 0.00 O ATOM 609 CB CYS A 43 2.914 1.490 1.470 1.00 0.00 C ATOM 610 SG CYS A 43 1.880 2.801 0.742 1.00 0.00 S ATOM 0 H CYS A 43 1.208 -0.329 1.259 1.00 0.00 H new ATOM 0 HA CYS A 43 3.066 0.436 3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.867 1.922 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.133 0.747 0.703 1.00 0.00 H new ATOM 615 N LEU A 44 1.910 2.264 4.561 1.00 0.00 N ATOM 616 CA LEU A 44 1.171 3.212 5.388 1.00 0.00 C ATOM 617 C LEU A 44 0.570 4.325 4.536 1.00 0.00 C ATOM 618 O LEU A 44 -0.607 4.661 4.673 1.00 0.00 O ATOM 619 CB LEU A 44 2.088 3.811 6.456 1.00 0.00 C ATOM 620 CG LEU A 44 1.392 4.414 7.676 1.00 0.00 C ATOM 621 CD1 LEU A 44 0.279 5.356 7.244 1.00 0.00 C ATOM 622 CD2 LEU A 44 0.845 3.316 8.576 1.00 0.00 C ATOM 0 H LEU A 44 2.835 2.025 4.918 1.00 0.00 H new ATOM 0 HA LEU A 44 0.358 2.674 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.770 3.033 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.697 4.586 5.990 1.00 0.00 H new ATOM 0 HG LEU A 44 2.126 4.987 8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.205 5.776 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.698 6.162 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.455 4.806 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.353 3.764 9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.126 2.715 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.664 2.681 8.914 1.00 0.00 H new ATOM 634 N LYS A 45 1.384 4.892 3.652 1.00 0.00 N ATOM 635 CA LYS A 45 0.933 5.965 2.774 1.00 0.00 C ATOM 636 C LYS A 45 -0.376 5.592 2.087 1.00 0.00 C ATOM 637 O LYS A 45 -1.176 6.461 1.738 1.00 0.00 O ATOM 638 CB LYS A 45 2.002 6.276 1.724 1.00 0.00 C ATOM 639 CG LYS A 45 3.243 6.939 2.296 1.00 0.00 C ATOM 640 CD LYS A 45 3.068 8.444 2.412 1.00 0.00 C ATOM 641 CE LYS A 45 4.349 9.120 2.876 1.00 0.00 C ATOM 642 NZ LYS A 45 5.266 9.410 1.739 1.00 0.00 N ATOM 0 H LYS A 45 2.360 4.626 3.525 1.00 0.00 H new ATOM 0 HA LYS A 45 0.763 6.852 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.291 5.350 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.572 6.926 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.460 6.520 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.100 6.719 1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.769 8.852 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.264 8.665 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.104 10.049 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.856 8.480 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.127 9.871 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.521 8.521 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.791 10.041 1.062 1.00 0.00 H new ATOM 656 N CYS A 46 -0.590 4.294 1.897 1.00 0.00 N ATOM 657 CA CYS A 46 -1.803 3.805 1.252 1.00 0.00 C ATOM 658 C CYS A 46 -2.861 3.440 2.290 1.00 0.00 C ATOM 659 O CYS A 46 -3.994 3.918 2.230 1.00 0.00 O ATOM 660 CB CYS A 46 -1.487 2.588 0.380 1.00 0.00 C ATOM 661 SG CYS A 46 -1.090 2.996 -1.350 1.00 0.00 S ATOM 0 H CYS A 46 0.061 3.562 2.181 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.197 4.602 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.646 2.050 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.341 1.911 0.396 1.00 0.00 H new ATOM 666 N ILE A 47 -2.482 2.591 3.239 1.00 0.00 N ATOM 667 CA ILE A 47 -3.397 2.163 4.290 1.00 0.00 C ATOM 668 C ILE A 47 -4.176 3.346 4.856 1.00 0.00 C ATOM 669 O ILE A 47 -5.370 3.240 5.137 1.00 0.00 O ATOM 670 CB ILE A 47 -2.647 1.460 5.438 1.00 0.00 C ATOM 671 CG1 ILE A 47 -1.991 0.173 4.934 1.00 0.00 C ATOM 672 CG2 ILE A 47 -3.598 1.162 6.587 1.00 0.00 C ATOM 673 CD1 ILE A 47 -1.066 -0.469 5.945 1.00 0.00 C ATOM 0 H ILE A 47 -1.548 2.186 3.302 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.092 1.457 3.835 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.865 2.125 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.769 -0.540 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.428 0.393 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.054 0.665 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.023 2.094 6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.400 0.512 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.636 -1.376 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.266 0.227 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.628 -0.720 6.844 1.00 0.00 H new ATOM 685 N THR A 48 -3.492 4.474 5.019 1.00 0.00 N ATOM 686 CA THR A 48 -4.119 5.678 5.550 1.00 0.00 C ATOM 687 C THR A 48 -4.865 6.437 4.459 1.00 0.00 C ATOM 688 O THR A 48 -6.093 6.512 4.472 1.00 0.00 O ATOM 689 CB THR A 48 -3.080 6.615 6.194 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.484 5.980 7.330 1.00 0.00 O ATOM 691 CG2 THR A 48 -3.724 7.926 6.619 1.00 0.00 C ATOM 0 H THR A 48 -2.503 4.579 4.791 1.00 0.00 H new ATOM 0 HA THR A 48 -4.828 5.355 6.313 1.00 0.00 H new ATOM 0 HB THR A 48 -2.309 6.830 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.150 6.663 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.971 8.572 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.150 8.422 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.513 7.726 7.344 1.00 0.00 H new ATOM 699 N GLN A 49 -4.114 6.997 3.515 1.00 0.00 N ATOM 700 CA GLN A 49 -4.706 7.750 2.416 1.00 0.00 C ATOM 701 C GLN A 49 -5.994 7.090 1.935 1.00 0.00 C ATOM 702 O GLN A 49 -6.974 7.770 1.629 1.00 0.00 O ATOM 703 CB GLN A 49 -3.715 7.865 1.257 1.00 0.00 C ATOM 704 CG GLN A 49 -2.626 8.901 1.488 1.00 0.00 C ATOM 705 CD GLN A 49 -3.035 10.288 1.034 1.00 0.00 C ATOM 706 OE1 GLN A 49 -3.647 11.045 1.787 1.00 0.00 O ATOM 707 NE2 GLN A 49 -2.697 10.629 -0.204 1.00 0.00 N ATOM 0 H GLN A 49 -3.096 6.943 3.490 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.945 8.749 2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.251 6.893 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.260 8.119 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.375 8.929 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.724 8.600 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.190 9.970 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.945 11.550 -0.565 1.00 0.00 H new ATOM 716 N ILE A 50 -5.985 5.763 1.871 1.00 0.00 N ATOM 717 CA ILE A 50 -7.153 5.012 1.428 1.00 0.00 C ATOM 718 C ILE A 50 -8.156 4.836 2.563 1.00 0.00 C ATOM 719 O ILE A 50 -9.355 5.044 2.385 1.00 0.00 O ATOM 720 CB ILE A 50 -6.759 3.626 0.886 1.00 0.00 C ATOM 721 CG1 ILE A 50 -5.888 3.771 -0.363 1.00 0.00 C ATOM 722 CG2 ILE A 50 -8.002 2.804 0.579 1.00 0.00 C ATOM 723 CD1 ILE A 50 -5.221 2.482 -0.788 1.00 0.00 C ATOM 0 H ILE A 50 -5.182 5.186 2.120 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.613 5.589 0.626 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.182 3.105 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.503 4.140 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.121 4.523 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.707 1.827 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.587 2.676 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.604 3.320 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.620 2.660 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.579 2.122 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.982 1.733 -1.007 1.00 0.00 H new ATOM 735 N GLY A 51 -7.655 4.451 3.733 1.00 0.00 N ATOM 736 CA GLY A 51 -8.521 4.254 4.882 1.00 0.00 C ATOM 737 C GLY A 51 -8.686 5.515 5.706 1.00 0.00 C ATOM 738 O GLY A 51 -8.752 5.457 6.934 1.00 0.00 O ATOM 0 H GLY A 51 -6.666 4.272 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.500 3.915 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.111 3.464 5.511 1.00 0.00 H new ATOM 742 N GLU A 52 -8.750 6.658 5.030 1.00 0.00 N ATOM 743 CA GLU A 52 -8.905 7.939 5.710 1.00 0.00 C ATOM 744 C GLU A 52 -10.224 8.603 5.324 1.00 0.00 C ATOM 745 O GLU A 52 -10.882 9.232 6.154 1.00 0.00 O ATOM 746 CB GLU A 52 -7.736 8.866 5.371 1.00 0.00 C ATOM 747 CG GLU A 52 -7.760 9.377 3.940 1.00 0.00 C ATOM 748 CD GLU A 52 -8.525 10.679 3.797 1.00 0.00 C ATOM 749 OE1 GLU A 52 -8.681 11.389 4.813 1.00 0.00 O ATOM 750 OE2 GLU A 52 -8.969 10.987 2.672 1.00 0.00 O ATOM 0 H GLU A 52 -8.697 6.723 4.013 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.912 7.753 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.749 9.717 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.800 8.334 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.737 9.521 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.212 8.622 3.296 1.00 0.00 H new ATOM 757 N THR A 53 -10.605 8.459 4.059 1.00 0.00 N ATOM 758 CA THR A 53 -11.843 9.045 3.562 1.00 0.00 C ATOM 759 C THR A 53 -13.057 8.432 4.251 1.00 0.00 C ATOM 760 O THR A 53 -13.800 9.121 4.949 1.00 0.00 O ATOM 761 CB THR A 53 -11.982 8.857 2.039 1.00 0.00 C ATOM 762 OG1 THR A 53 -11.775 7.483 1.694 1.00 0.00 O ATOM 763 CG2 THR A 53 -10.983 9.728 1.293 1.00 0.00 C ATOM 0 H THR A 53 -10.073 7.941 3.359 1.00 0.00 H new ATOM 0 HA THR A 53 -11.801 10.111 3.787 1.00 0.00 H new ATOM 0 HB THR A 53 -12.989 9.156 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.867 7.372 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.100 9.578 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.162 10.776 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.970 9.455 1.589 1.00 0.00 H new ATOM 771 N SER A 54 -13.252 7.133 4.050 1.00 0.00 N ATOM 772 CA SER A 54 -14.378 6.427 4.650 1.00 0.00 C ATOM 773 C SER A 54 -14.180 6.266 6.154 1.00 0.00 C ATOM 774 O SER A 54 -14.902 6.862 6.954 1.00 0.00 O ATOM 775 CB SER A 54 -14.554 5.055 3.998 1.00 0.00 C ATOM 776 OG SER A 54 -13.335 4.332 3.994 1.00 0.00 O ATOM 0 H SER A 54 -12.645 6.548 3.476 1.00 0.00 H new ATOM 0 HA SER A 54 -15.277 7.020 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.315 4.489 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.911 5.178 2.975 1.00 0.00 H new ATOM 0 HG SER A 54 -13.474 3.458 3.573 1.00 0.00 H new ATOM 782 N CYS A 55 -13.195 5.458 6.531 1.00 0.00 N ATOM 783 CA CYS A 55 -12.901 5.217 7.939 1.00 0.00 C ATOM 784 C CYS A 55 -11.557 4.514 8.101 1.00 0.00 C ATOM 785 O CYS A 55 -11.018 3.955 7.146 1.00 0.00 O ATOM 786 CB CYS A 55 -14.009 4.378 8.578 1.00 0.00 C ATOM 787 SG CYS A 55 -14.117 2.690 7.940 1.00 0.00 S ATOM 0 H CYS A 55 -12.587 4.959 5.882 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.850 6.182 8.444 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.845 4.338 9.655 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -14.965 4.877 8.420 1.00 0.00 H new ATOM 0 HG CYS A 55 -15.081 2.059 8.542 1.00 0.00 H new ATOM 793 N GLY A 56 -11.020 4.546 9.317 1.00 0.00 N ATOM 794 CA GLY A 56 -9.743 3.910 9.581 1.00 0.00 C ATOM 795 C GLY A 56 -9.573 2.611 8.818 1.00 0.00 C ATOM 796 O GLY A 56 -8.490 2.316 8.314 1.00 0.00 O ATOM 0 H GLY A 56 -11.447 5.001 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.938 4.594 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.652 3.715 10.649 1.00 0.00 H new ATOM 800 N PHE A 57 -10.646 1.832 8.734 1.00 0.00 N ATOM 801 CA PHE A 57 -10.611 0.555 8.030 1.00 0.00 C ATOM 802 C PHE A 57 -10.062 0.730 6.616 1.00 0.00 C ATOM 803 O PHE A 57 -10.646 1.437 5.795 1.00 0.00 O ATOM 804 CB PHE A 57 -12.011 -0.059 7.973 1.00 0.00 C ATOM 805 CG PHE A 57 -12.016 -1.501 7.550 1.00 0.00 C ATOM 806 CD1 PHE A 57 -12.102 -1.843 6.210 1.00 0.00 C ATOM 807 CD2 PHE A 57 -11.935 -2.513 8.492 1.00 0.00 C ATOM 808 CE1 PHE A 57 -12.107 -3.168 5.817 1.00 0.00 C ATOM 809 CE2 PHE A 57 -11.939 -3.840 8.106 1.00 0.00 C ATOM 810 CZ PHE A 57 -12.026 -4.168 6.767 1.00 0.00 C ATOM 0 H PHE A 57 -11.551 2.062 9.145 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.950 -0.116 8.578 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.476 0.025 8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.624 0.517 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.166 -1.065 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.868 -2.262 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.174 -3.421 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.874 -4.620 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.031 -5.204 6.463 1.00 0.00 H new ATOM 820 N PHE A 58 -8.936 0.080 6.341 1.00 0.00 N ATOM 821 CA PHE A 58 -8.307 0.164 5.028 1.00 0.00 C ATOM 822 C PHE A 58 -8.674 -1.044 4.171 1.00 0.00 C ATOM 823 O PHE A 58 -8.386 -2.186 4.530 1.00 0.00 O ATOM 824 CB PHE A 58 -6.786 0.257 5.173 1.00 0.00 C ATOM 825 CG PHE A 58 -6.038 -0.217 3.959 1.00 0.00 C ATOM 826 CD1 PHE A 58 -6.172 0.441 2.747 1.00 0.00 C ATOM 827 CD2 PHE A 58 -5.202 -1.319 4.031 1.00 0.00 C ATOM 828 CE1 PHE A 58 -5.486 0.006 1.629 1.00 0.00 C ATOM 829 CE2 PHE A 58 -4.512 -1.757 2.916 1.00 0.00 C ATOM 830 CZ PHE A 58 -4.654 -1.093 1.714 1.00 0.00 C ATOM 0 H PHE A 58 -8.441 -0.510 7.009 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.674 1.063 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.511 1.292 5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.474 -0.333 6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.819 1.303 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.088 -1.842 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.600 0.525 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.863 -2.617 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.115 -1.432 0.842 1.00 0.00 H new ATOM 840 N LYS A 59 -9.313 -0.784 3.035 1.00 0.00 N ATOM 841 CA LYS A 59 -9.721 -1.847 2.125 1.00 0.00 C ATOM 842 C LYS A 59 -8.505 -2.530 1.507 1.00 0.00 C ATOM 843 O LYS A 59 -7.386 -2.023 1.590 1.00 0.00 O ATOM 844 CB LYS A 59 -10.619 -1.285 1.021 1.00 0.00 C ATOM 845 CG LYS A 59 -9.876 -0.428 0.010 1.00 0.00 C ATOM 846 CD LYS A 59 -10.788 0.615 -0.614 1.00 0.00 C ATOM 847 CE LYS A 59 -11.712 -0.003 -1.653 1.00 0.00 C ATOM 848 NZ LYS A 59 -12.620 1.009 -2.259 1.00 0.00 N ATOM 0 H LYS A 59 -9.560 0.155 2.723 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.280 -2.587 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.100 -2.112 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.411 -0.691 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.036 0.067 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.460 -1.064 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.382 1.093 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.186 1.395 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.116 -0.472 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.305 -0.791 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.233 0.549 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.207 1.438 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.055 1.748 -2.724 1.00 0.00 H new ATOM 862 N CYS A 60 -8.731 -3.683 0.887 1.00 0.00 N ATOM 863 CA CYS A 60 -7.655 -4.436 0.254 1.00 0.00 C ATOM 864 C CYS A 60 -8.032 -4.830 -1.171 1.00 0.00 C ATOM 865 O CYS A 60 -9.018 -5.529 -1.408 1.00 0.00 O ATOM 866 CB CYS A 60 -7.330 -5.687 1.072 1.00 0.00 C ATOM 867 SG CYS A 60 -5.961 -6.682 0.397 1.00 0.00 S ATOM 0 H CYS A 60 -9.651 -4.117 0.809 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.773 -3.797 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.080 -5.388 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.222 -6.310 1.133 1.00 0.00 H new ATOM 872 N PRO A 61 -7.229 -4.373 -2.144 1.00 0.00 N ATOM 873 CA PRO A 61 -7.458 -4.666 -3.562 1.00 0.00 C ATOM 874 C PRO A 61 -7.198 -6.130 -3.900 1.00 0.00 C ATOM 875 O PRO A 61 -7.866 -6.707 -4.759 1.00 0.00 O ATOM 876 CB PRO A 61 -6.449 -3.764 -4.277 1.00 0.00 C ATOM 877 CG PRO A 61 -5.365 -3.542 -3.279 1.00 0.00 C ATOM 878 CD PRO A 61 -6.036 -3.536 -1.934 1.00 0.00 C ATOM 0 HA PRO A 61 -8.493 -4.487 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.065 -4.238 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.906 -2.822 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.614 -4.330 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.852 -2.598 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.388 -3.947 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.303 -2.526 -1.623 1.00 0.00 H new ATOM 886 N LEU A 62 -6.224 -6.726 -3.221 1.00 0.00 N ATOM 887 CA LEU A 62 -5.876 -8.124 -3.450 1.00 0.00 C ATOM 888 C LEU A 62 -6.987 -9.048 -2.964 1.00 0.00 C ATOM 889 O LEU A 62 -7.314 -10.040 -3.616 1.00 0.00 O ATOM 890 CB LEU A 62 -4.565 -8.466 -2.739 1.00 0.00 C ATOM 891 CG LEU A 62 -3.383 -7.540 -3.028 1.00 0.00 C ATOM 892 CD1 LEU A 62 -2.186 -7.919 -2.169 1.00 0.00 C ATOM 893 CD2 LEU A 62 -3.018 -7.587 -4.505 1.00 0.00 C ATOM 0 H LEU A 62 -5.661 -6.263 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.750 -8.271 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.747 -8.465 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.280 -9.482 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.675 -6.520 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.354 -7.249 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.453 -7.834 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.892 -8.946 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.175 -6.922 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.745 -8.606 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.872 -7.267 -5.101 1.00 0.00 H new ATOM 905 N CYS A 63 -7.567 -8.716 -1.816 1.00 0.00 N ATOM 906 CA CYS A 63 -8.644 -9.514 -1.242 1.00 0.00 C ATOM 907 C CYS A 63 -9.915 -9.394 -2.079 1.00 0.00 C ATOM 908 O CYS A 63 -10.119 -8.401 -2.776 1.00 0.00 O ATOM 909 CB CYS A 63 -8.923 -9.074 0.196 1.00 0.00 C ATOM 910 SG CYS A 63 -7.757 -9.750 1.421 1.00 0.00 S ATOM 0 H CYS A 63 -7.309 -7.898 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.328 -10.557 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.893 -7.985 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.934 -9.377 0.467 1.00 0.00 H new TER 915 CYS A 63 HETATM 916 ZN ZN A 201 0.946 2.059 -1.262 1.00 0.00 ZN HETATM 917 ZN ZN A 401 -5.719 -8.640 1.555 1.00 0.00 ZN