USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 42 GLN : amide:sc= -1.53! K(o=-1.5!,f=0.12) USER MOD Set 1.2: A 56 ASN : amide:sc= 0 X(o=-1.5,f=-1.6) USER MOD Set 2.1: A 34 CYS SG : rot -153:sc= -1.74! USER MOD Set 2.2: A 54 CYS SG : rot 48:sc= -3.44! USER MOD Set 3.1: A 5 CYS SG : rot -142:sc= -0.924 USER MOD Set 3.2: A 8 CYS SG : rot 151:sc= -0.375! USER MOD Set 3.3: A 24 CYS SG : rot -19:sc= -0.301 USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= -0.0433 USER MOD Set 4.2: A 9 HIS : no HD1:sc= -0.0818 X(o=-0.13,f=-0.37) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.139 (180deg=-0.704) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.117 (180deg=-0.0959) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.965! C(o=-0.97!,f=-4.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 39 GLN : amide:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -136:sc= 1.28 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 0.944 (180deg=-0.106!) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0711) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0.0011) USER MOD Single : A 78 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=-0.084) USER MOD Single : A 79 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=-0.015) USER MOD Single : A 80 HIS : no HD1:sc= -0.323 X(o=-0.32,f=0.0063) USER MOD Single : A 81 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.688 -0.023 7.852 1.00 0.00 N ATOM 2 CA MET A 1 12.059 1.293 7.284 1.00 0.00 C ATOM 3 C MET A 1 10.900 1.873 6.485 1.00 0.00 C ATOM 4 O MET A 1 9.853 1.240 6.349 1.00 0.00 O ATOM 5 CB MET A 1 13.295 1.168 6.388 1.00 0.00 C ATOM 6 CG MET A 1 14.543 0.700 7.120 1.00 0.00 C ATOM 7 SD MET A 1 15.995 0.633 6.050 1.00 0.00 S ATOM 8 CE MET A 1 15.451 -0.546 4.812 1.00 0.00 C ATOM 0 H1 MET A 1 11.803 -0.000 8.885 1.00 0.00 H new ATOM 0 H2 MET A 1 10.697 -0.235 7.619 1.00 0.00 H new ATOM 0 H3 MET A 1 12.303 -0.760 7.451 1.00 0.00 H new ATOM 0 HA MET A 1 12.292 1.964 8.111 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.077 0.470 5.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.497 2.135 5.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.743 1.372 7.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.362 -0.288 7.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.318 -0.949 4.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.910 -1.359 5.296 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.795 -0.048 4.098 1.00 0.00 H new ATOM 20 N GLU A 2 11.088 3.076 5.961 1.00 0.00 N ATOM 21 CA GLU A 2 10.035 3.769 5.236 1.00 0.00 C ATOM 22 C GLU A 2 10.168 3.527 3.734 1.00 0.00 C ATOM 23 O GLU A 2 11.245 3.166 3.250 1.00 0.00 O ATOM 24 CB GLU A 2 10.098 5.269 5.544 1.00 0.00 C ATOM 25 CG GLU A 2 8.807 6.010 5.247 1.00 0.00 C ATOM 26 CD GLU A 2 7.624 5.390 5.958 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.655 5.294 7.204 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.668 4.980 5.277 1.00 0.00 O ATOM 0 H GLU A 2 11.965 3.593 6.026 1.00 0.00 H new ATOM 0 HA GLU A 2 9.069 3.379 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.350 5.404 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.905 5.716 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.908 7.052 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.626 6.008 4.172 1.00 0.00 H new ATOM 35 N ILE A 3 9.074 3.719 3.007 1.00 0.00 N ATOM 36 CA ILE A 3 9.066 3.534 1.562 1.00 0.00 C ATOM 37 C ILE A 3 9.846 4.664 0.889 1.00 0.00 C ATOM 38 O ILE A 3 9.793 5.814 1.330 1.00 0.00 O ATOM 39 CB ILE A 3 7.624 3.482 0.979 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.803 2.348 1.613 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.657 3.301 -0.533 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.222 2.676 2.972 1.00 0.00 C ATOM 0 H ILE A 3 8.176 4.004 3.398 1.00 0.00 H new ATOM 0 HA ILE A 3 9.540 2.574 1.358 1.00 0.00 H new ATOM 0 HB ILE A 3 7.146 4.432 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.989 2.085 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.437 1.466 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.638 3.267 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.189 4.136 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.168 2.369 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.659 1.820 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.029 2.908 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.559 3.537 2.886 1.00 0.00 H new ATOM 54 N THR A 4 10.582 4.331 -0.161 1.00 0.00 N ATOM 55 CA THR A 4 11.379 5.312 -0.877 1.00 0.00 C ATOM 56 C THR A 4 10.995 5.369 -2.357 1.00 0.00 C ATOM 57 O THR A 4 10.803 4.335 -3.001 1.00 0.00 O ATOM 58 CB THR A 4 12.883 5.005 -0.735 1.00 0.00 C ATOM 59 OG1 THR A 4 13.107 3.592 -0.835 1.00 0.00 O ATOM 60 CG2 THR A 4 13.421 5.519 0.593 1.00 0.00 C ATOM 0 H THR A 4 10.643 3.384 -0.536 1.00 0.00 H new ATOM 0 HA THR A 4 11.174 6.286 -0.432 1.00 0.00 H new ATOM 0 HB THR A 4 13.412 5.514 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.065 3.406 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.484 5.290 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.278 6.598 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.887 5.038 1.413 1.00 0.00 H new ATOM 68 N CYS A 5 10.875 6.589 -2.881 1.00 0.00 N ATOM 69 CA CYS A 5 10.509 6.811 -4.278 1.00 0.00 C ATOM 70 C CYS A 5 11.594 6.269 -5.210 1.00 0.00 C ATOM 71 O CYS A 5 12.783 6.408 -4.927 1.00 0.00 O ATOM 72 CB CYS A 5 10.297 8.313 -4.517 1.00 0.00 C ATOM 73 SG CYS A 5 9.791 8.761 -6.198 1.00 0.00 S ATOM 0 H CYS A 5 11.028 7.447 -2.351 1.00 0.00 H new ATOM 0 HA CYS A 5 9.582 6.279 -4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.541 8.673 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.224 8.837 -4.282 1.00 0.00 H new ATOM 0 HG CYS A 5 10.374 9.870 -6.546 1.00 0.00 H new ATOM 78 N PRO A 6 11.194 5.630 -6.327 1.00 0.00 N ATOM 79 CA PRO A 6 12.130 5.033 -7.294 1.00 0.00 C ATOM 80 C PRO A 6 13.142 6.034 -7.852 1.00 0.00 C ATOM 81 O PRO A 6 14.269 5.670 -8.180 1.00 0.00 O ATOM 82 CB PRO A 6 11.217 4.525 -8.415 1.00 0.00 C ATOM 83 CG PRO A 6 9.887 4.346 -7.773 1.00 0.00 C ATOM 84 CD PRO A 6 9.788 5.419 -6.727 1.00 0.00 C ATOM 0 HA PRO A 6 12.736 4.257 -6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.166 5.239 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.585 3.587 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.084 4.438 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.799 3.356 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.342 6.330 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.172 5.104 -5.884 1.00 0.00 H new ATOM 92 N VAL A 7 12.737 7.291 -7.956 1.00 0.00 N ATOM 93 CA VAL A 7 13.612 8.332 -8.479 1.00 0.00 C ATOM 94 C VAL A 7 14.435 8.940 -7.349 1.00 0.00 C ATOM 95 O VAL A 7 15.665 8.979 -7.398 1.00 0.00 O ATOM 96 CB VAL A 7 12.808 9.448 -9.184 1.00 0.00 C ATOM 97 CG1 VAL A 7 13.738 10.507 -9.757 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.924 8.864 -10.275 1.00 0.00 C ATOM 0 H VAL A 7 11.809 7.616 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 7 14.273 7.870 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 7 12.168 9.925 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.149 11.281 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.323 10.952 -8.952 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.410 10.048 -10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.366 9.666 -10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.545 8.356 -11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.227 8.151 -9.835 1.00 0.00 H new ATOM 108 N CYS A 8 13.740 9.406 -6.329 1.00 0.00 N ATOM 109 CA CYS A 8 14.380 9.975 -5.160 1.00 0.00 C ATOM 110 C CYS A 8 14.259 9.026 -3.977 1.00 0.00 C ATOM 111 O CYS A 8 13.315 9.122 -3.184 1.00 0.00 O ATOM 112 CB CYS A 8 13.748 11.328 -4.829 1.00 0.00 C ATOM 113 SG CYS A 8 12.025 11.435 -5.333 1.00 0.00 S ATOM 0 H CYS A 8 12.721 9.401 -6.288 1.00 0.00 H new ATOM 0 HA CYS A 8 15.439 10.124 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.819 11.504 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 8 14.315 12.119 -5.320 1.00 0.00 H new ATOM 0 HG CYS A 8 11.391 12.249 -4.542 1.00 0.00 H new ATOM 118 N HIS A 9 15.180 8.071 -3.898 1.00 0.00 N ATOM 119 CA HIS A 9 15.266 7.196 -2.737 1.00 0.00 C ATOM 120 C HIS A 9 15.772 7.993 -1.544 1.00 0.00 C ATOM 121 O HIS A 9 16.950 7.937 -1.187 1.00 0.00 O ATOM 122 CB HIS A 9 16.177 5.992 -2.998 1.00 0.00 C ATOM 123 CG HIS A 9 15.614 4.993 -3.962 1.00 0.00 C ATOM 124 ND1 HIS A 9 16.124 4.793 -5.225 1.00 0.00 N ATOM 125 CD2 HIS A 9 14.589 4.120 -3.830 1.00 0.00 C ATOM 126 CE1 HIS A 9 15.438 3.841 -5.829 1.00 0.00 C ATOM 127 NE2 HIS A 9 14.501 3.417 -5.004 1.00 0.00 N ATOM 0 H HIS A 9 15.874 7.885 -4.622 1.00 0.00 H new ATOM 0 HA HIS A 9 14.270 6.807 -2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.133 6.350 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.380 5.492 -2.051 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.958 3.999 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.614 3.472 -6.829 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.821 2.684 -5.206 1.00 0.00 H new ATOM 136 N HIS A 10 14.873 8.772 -0.975 1.00 0.00 N ATOM 137 CA HIS A 10 15.197 9.667 0.117 1.00 0.00 C ATOM 138 C HIS A 10 14.298 9.359 1.300 1.00 0.00 C ATOM 139 O HIS A 10 14.733 8.790 2.299 1.00 0.00 O ATOM 140 CB HIS A 10 15.006 11.116 -0.349 1.00 0.00 C ATOM 141 CG HIS A 10 15.630 12.150 0.535 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.918 12.898 1.447 1.00 0.00 N ATOM 143 CD2 HIS A 10 16.909 12.581 0.616 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.733 13.747 2.047 1.00 0.00 C ATOM 145 NE2 HIS A 10 16.947 13.571 1.561 1.00 0.00 N ATOM 0 H HIS A 10 13.894 8.802 -1.259 1.00 0.00 H new ATOM 0 HA HIS A 10 16.234 9.531 0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 10 15.422 11.218 -1.352 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.938 11.320 -0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.746 12.212 0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.453 14.463 2.806 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.779 14.089 1.844 1.00 0.00 H new ATOM 154 N ALA A 11 13.033 9.716 1.149 1.00 0.00 N ATOM 155 CA ALA A 11 12.012 9.449 2.149 1.00 0.00 C ATOM 156 C ALA A 11 10.653 9.873 1.613 1.00 0.00 C ATOM 157 O ALA A 11 10.546 10.888 0.918 1.00 0.00 O ATOM 158 CB ALA A 11 12.312 10.180 3.452 1.00 0.00 C ATOM 0 H ALA A 11 12.683 10.203 0.323 1.00 0.00 H new ATOM 0 HA ALA A 11 12.005 8.379 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.531 9.961 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.275 9.849 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.345 11.254 3.268 1.00 0.00 H new ATOM 164 N LEU A 12 9.629 9.094 1.913 1.00 0.00 N ATOM 165 CA LEU A 12 8.276 9.422 1.495 1.00 0.00 C ATOM 166 C LEU A 12 7.415 9.772 2.695 1.00 0.00 C ATOM 167 O LEU A 12 7.595 9.228 3.785 1.00 0.00 O ATOM 168 CB LEU A 12 7.650 8.262 0.719 1.00 0.00 C ATOM 169 CG LEU A 12 8.140 8.108 -0.720 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.586 6.839 -1.345 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.737 9.315 -1.543 1.00 0.00 C ATOM 0 H LEU A 12 9.708 8.228 2.446 1.00 0.00 H new ATOM 0 HA LEU A 12 8.329 10.290 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.851 7.335 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.568 8.395 0.706 1.00 0.00 H new ATOM 0 HG LEU A 12 9.228 8.037 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.948 6.750 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.915 5.975 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.497 6.880 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.092 9.193 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.651 9.408 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.178 10.214 -1.111 1.00 0.00 H new ATOM 183 N GLU A 13 6.492 10.692 2.488 1.00 0.00 N ATOM 184 CA GLU A 13 5.575 11.106 3.530 1.00 0.00 C ATOM 185 C GLU A 13 4.355 10.200 3.530 1.00 0.00 C ATOM 186 O GLU A 13 3.368 10.468 2.845 1.00 0.00 O ATOM 187 CB GLU A 13 5.150 12.556 3.300 1.00 0.00 C ATOM 188 CG GLU A 13 6.315 13.529 3.242 1.00 0.00 C ATOM 189 CD GLU A 13 5.968 14.788 2.480 1.00 0.00 C ATOM 190 OE1 GLU A 13 5.130 15.577 2.974 1.00 0.00 O ATOM 191 OE2 GLU A 13 6.507 14.974 1.372 1.00 0.00 O ATOM 0 H GLU A 13 6.358 11.171 1.597 1.00 0.00 H new ATOM 0 HA GLU A 13 6.073 11.032 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.589 12.618 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.474 12.859 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.618 13.791 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.169 13.044 2.769 1.00 0.00 H new ATOM 198 N ARG A 14 4.442 9.101 4.258 1.00 0.00 N ATOM 199 CA ARG A 14 3.333 8.170 4.339 1.00 0.00 C ATOM 200 C ARG A 14 2.353 8.617 5.414 1.00 0.00 C ATOM 201 O ARG A 14 2.617 8.482 6.608 1.00 0.00 O ATOM 202 CB ARG A 14 3.830 6.746 4.620 1.00 0.00 C ATOM 203 CG ARG A 14 2.707 5.726 4.748 1.00 0.00 C ATOM 204 CD ARG A 14 3.234 4.300 4.851 1.00 0.00 C ATOM 205 NE ARG A 14 4.214 4.145 5.922 1.00 0.00 N ATOM 206 CZ ARG A 14 3.982 3.500 7.065 1.00 0.00 C ATOM 207 NH1 ARG A 14 2.793 2.950 7.299 1.00 0.00 N ATOM 208 NH2 ARG A 14 4.941 3.403 7.972 1.00 0.00 N ATOM 0 H ARG A 14 5.265 8.833 4.798 1.00 0.00 H new ATOM 0 HA ARG A 14 2.820 8.161 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.500 6.438 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.415 6.748 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.109 5.955 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.046 5.806 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.401 3.619 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.688 4.014 3.902 1.00 0.00 H new ATOM 0 HE ARG A 14 5.137 4.557 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.052 3.021 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.622 2.458 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.854 3.821 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.767 2.910 8.848 1.00 0.00 H new ATOM 222 N ASN A 15 1.227 9.161 4.976 1.00 0.00 N ATOM 223 CA ASN A 15 0.185 9.630 5.881 1.00 0.00 C ATOM 224 C ASN A 15 -0.771 8.496 6.221 1.00 0.00 C ATOM 225 O ASN A 15 -1.924 8.723 6.586 1.00 0.00 O ATOM 226 CB ASN A 15 -0.583 10.798 5.247 1.00 0.00 C ATOM 227 CG ASN A 15 0.248 12.063 5.153 1.00 0.00 C ATOM 228 OD1 ASN A 15 0.965 12.280 4.176 1.00 0.00 O ATOM 229 ND2 ASN A 15 0.150 12.915 6.161 1.00 0.00 N ATOM 0 H ASN A 15 1.009 9.290 3.988 1.00 0.00 H new ATOM 0 HA ASN A 15 0.655 9.977 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.914 10.511 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.479 11.000 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.679 13.787 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.455 12.700 6.954 1.00 0.00 H new ATOM 236 N GLY A 16 -0.275 7.273 6.110 1.00 0.00 N ATOM 237 CA GLY A 16 -1.088 6.106 6.367 1.00 0.00 C ATOM 238 C GLY A 16 -1.140 5.195 5.163 1.00 0.00 C ATOM 239 O GLY A 16 -0.221 4.409 4.933 1.00 0.00 O ATOM 0 H GLY A 16 0.688 7.068 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.685 5.561 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.098 6.416 6.635 1.00 0.00 H new ATOM 243 N ASP A 17 -2.195 5.325 4.375 1.00 0.00 N ATOM 244 CA ASP A 17 -2.372 4.499 3.186 1.00 0.00 C ATOM 245 C ASP A 17 -2.078 5.309 1.927 1.00 0.00 C ATOM 246 O ASP A 17 -2.406 4.906 0.812 1.00 0.00 O ATOM 247 CB ASP A 17 -3.794 3.932 3.134 1.00 0.00 C ATOM 248 CG ASP A 17 -4.081 2.982 4.283 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.602 1.831 4.243 1.00 0.00 O ATOM 250 OD2 ASP A 17 -4.787 3.384 5.236 1.00 0.00 O ATOM 0 H ASP A 17 -2.946 5.997 4.536 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.669 3.667 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.511 4.753 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.939 3.409 2.189 1.00 0.00 H new ATOM 255 N THR A 18 -1.458 6.462 2.113 1.00 0.00 N ATOM 256 CA THR A 18 -1.080 7.317 0.999 1.00 0.00 C ATOM 257 C THR A 18 0.283 7.949 1.266 1.00 0.00 C ATOM 258 O THR A 18 0.535 8.438 2.368 1.00 0.00 O ATOM 259 CB THR A 18 -2.133 8.422 0.776 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.443 7.837 0.740 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.878 9.171 -0.526 1.00 0.00 C ATOM 0 H THR A 18 -1.204 6.830 3.030 1.00 0.00 H new ATOM 0 HA THR A 18 -1.024 6.704 0.099 1.00 0.00 H new ATOM 0 HB THR A 18 -2.063 9.131 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.111 8.540 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.636 9.943 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.891 9.633 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.924 8.473 -1.362 1.00 0.00 H new ATOM 269 N ALA A 19 1.162 7.922 0.272 1.00 0.00 N ATOM 270 CA ALA A 19 2.507 8.461 0.427 1.00 0.00 C ATOM 271 C ALA A 19 2.728 9.654 -0.497 1.00 0.00 C ATOM 272 O ALA A 19 2.525 9.557 -1.704 1.00 0.00 O ATOM 273 CB ALA A 19 3.541 7.380 0.155 1.00 0.00 C ATOM 0 H ALA A 19 0.967 7.532 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 19 2.620 8.805 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.542 7.795 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.403 6.559 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.421 7.009 -0.863 1.00 0.00 H new ATOM 279 N HIS A 20 3.136 10.775 0.081 1.00 0.00 N ATOM 280 CA HIS A 20 3.402 11.985 -0.689 1.00 0.00 C ATOM 281 C HIS A 20 4.904 12.173 -0.886 1.00 0.00 C ATOM 282 O HIS A 20 5.699 11.902 0.013 1.00 0.00 O ATOM 283 CB HIS A 20 2.791 13.205 0.020 1.00 0.00 C ATOM 284 CG HIS A 20 3.107 14.529 -0.622 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.321 15.111 -1.596 1.00 0.00 N ATOM 286 CD2 HIS A 20 4.132 15.391 -0.411 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.851 16.268 -1.952 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.947 16.459 -1.247 1.00 0.00 N ATOM 0 H HIS A 20 3.291 10.873 1.084 1.00 0.00 H new ATOM 0 HA HIS A 20 2.940 11.886 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.708 13.083 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.144 13.223 1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.945 15.259 0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.453 16.943 -2.695 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.559 17.272 -1.313 1.00 0.00 H new ATOM 297 N CYS A 21 5.286 12.616 -2.073 1.00 0.00 N ATOM 298 CA CYS A 21 6.679 12.901 -2.370 1.00 0.00 C ATOM 299 C CYS A 21 6.867 14.397 -2.622 1.00 0.00 C ATOM 300 O CYS A 21 6.332 14.931 -3.592 1.00 0.00 O ATOM 301 CB CYS A 21 7.117 12.121 -3.614 1.00 0.00 C ATOM 302 SG CYS A 21 8.883 11.724 -3.661 1.00 0.00 S ATOM 0 H CYS A 21 4.647 12.786 -2.849 1.00 0.00 H new ATOM 0 HA CYS A 21 7.287 12.599 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.547 11.194 -3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.863 12.702 -4.501 1.00 0.00 H new ATOM 307 N GLU A 22 7.588 15.081 -1.738 1.00 0.00 N ATOM 308 CA GLU A 22 7.933 16.483 -1.971 1.00 0.00 C ATOM 309 C GLU A 22 8.931 16.607 -3.117 1.00 0.00 C ATOM 310 O GLU A 22 8.795 17.479 -3.978 1.00 0.00 O ATOM 311 CB GLU A 22 8.480 17.139 -0.705 1.00 0.00 C ATOM 312 CG GLU A 22 7.402 17.801 0.135 1.00 0.00 C ATOM 313 CD GLU A 22 6.633 18.852 -0.643 1.00 0.00 C ATOM 314 OE1 GLU A 22 7.203 19.929 -0.917 1.00 0.00 O ATOM 315 OE2 GLU A 22 5.460 18.608 -0.994 1.00 0.00 O ATOM 0 H GLU A 22 7.942 14.694 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 22 7.020 17.009 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.990 16.386 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.226 17.884 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.710 17.042 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.858 18.262 1.011 1.00 0.00 H new ATOM 322 N THR A 23 9.940 15.743 -3.122 1.00 0.00 N ATOM 323 CA THR A 23 10.790 15.588 -4.282 1.00 0.00 C ATOM 324 C THR A 23 9.941 15.003 -5.398 1.00 0.00 C ATOM 325 O THR A 23 9.444 13.904 -5.231 1.00 0.00 O ATOM 326 CB THR A 23 11.936 14.612 -3.963 1.00 0.00 C ATOM 327 OG1 THR A 23 11.372 13.384 -3.448 1.00 0.00 O ATOM 328 CG2 THR A 23 12.906 15.203 -2.943 1.00 0.00 C ATOM 0 H THR A 23 10.184 15.143 -2.334 1.00 0.00 H new ATOM 0 HA THR A 23 11.213 16.550 -4.572 1.00 0.00 H new ATOM 0 HB THR A 23 12.496 14.419 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.703 14.487 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.336 16.122 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.372 15.422 -2.018 1.00 0.00 H new ATOM 336 N CYS A 24 9.783 15.712 -6.505 1.00 0.00 N ATOM 337 CA CYS A 24 8.832 15.330 -7.564 1.00 0.00 C ATOM 338 C CYS A 24 7.438 15.080 -6.973 1.00 0.00 C ATOM 339 O CYS A 24 7.132 13.992 -6.486 1.00 0.00 O ATOM 340 CB CYS A 24 9.324 14.122 -8.403 1.00 0.00 C ATOM 341 SG CYS A 24 9.426 12.515 -7.554 1.00 0.00 S ATOM 0 H CYS A 24 10.303 16.567 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 24 8.765 16.169 -8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.659 14.011 -9.260 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.312 14.362 -8.795 1.00 0.00 H new ATOM 0 HG CYS A 24 9.442 12.704 -6.268 1.00 0.00 H new ATOM 346 N ALA A 25 6.617 16.126 -6.994 1.00 0.00 N ATOM 347 CA ALA A 25 5.280 16.098 -6.408 1.00 0.00 C ATOM 348 C ALA A 25 4.432 14.958 -6.962 1.00 0.00 C ATOM 349 O ALA A 25 3.801 15.080 -8.018 1.00 0.00 O ATOM 350 CB ALA A 25 4.581 17.431 -6.626 1.00 0.00 C ATOM 0 H ALA A 25 6.861 17.020 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 25 5.398 15.924 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.585 17.396 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.159 18.226 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.497 17.627 -7.695 1.00 0.00 H new ATOM 356 N LYS A 26 4.451 13.843 -6.249 1.00 0.00 N ATOM 357 CA LYS A 26 3.682 12.666 -6.610 1.00 0.00 C ATOM 358 C LYS A 26 3.137 12.013 -5.350 1.00 0.00 C ATOM 359 O LYS A 26 3.874 11.810 -4.383 1.00 0.00 O ATOM 360 CB LYS A 26 4.555 11.656 -7.371 1.00 0.00 C ATOM 361 CG LYS A 26 5.154 12.198 -8.660 1.00 0.00 C ATOM 362 CD LYS A 26 6.038 11.174 -9.355 1.00 0.00 C ATOM 363 CE LYS A 26 5.254 9.937 -9.759 1.00 0.00 C ATOM 364 NZ LYS A 26 6.063 9.014 -10.598 1.00 0.00 N ATOM 0 H LYS A 26 5.004 13.730 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 26 2.860 12.973 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.363 11.327 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.955 10.776 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.352 12.500 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.739 13.091 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.490 11.624 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.854 10.887 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.918 9.413 -8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.361 10.237 -10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.491 8.184 -10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.363 9.505 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.902 8.707 -10.066 1.00 0.00 H new ATOM 378 N ASP A 27 1.850 11.719 -5.345 1.00 0.00 N ATOM 379 CA ASP A 27 1.245 10.996 -4.241 1.00 0.00 C ATOM 380 C ASP A 27 0.862 9.595 -4.690 1.00 0.00 C ATOM 381 O ASP A 27 0.211 9.409 -5.721 1.00 0.00 O ATOM 382 CB ASP A 27 0.028 11.741 -3.681 1.00 0.00 C ATOM 383 CG ASP A 27 -1.073 11.956 -4.700 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.863 12.738 -5.654 1.00 0.00 O ATOM 385 OD2 ASP A 27 -2.158 11.369 -4.537 1.00 0.00 O ATOM 0 H ASP A 27 1.203 11.970 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 27 1.977 10.923 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.374 11.181 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.350 12.709 -3.297 1.00 0.00 H new ATOM 390 N PHE A 28 1.301 8.612 -3.929 1.00 0.00 N ATOM 391 CA PHE A 28 1.097 7.223 -4.286 1.00 0.00 C ATOM 392 C PHE A 28 0.043 6.587 -3.396 1.00 0.00 C ATOM 393 O PHE A 28 0.116 6.678 -2.168 1.00 0.00 O ATOM 394 CB PHE A 28 2.411 6.448 -4.166 1.00 0.00 C ATOM 395 CG PHE A 28 3.535 7.031 -4.977 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.642 6.761 -6.332 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.481 7.851 -4.385 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.674 7.295 -7.081 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.516 8.387 -5.126 1.00 0.00 C ATOM 400 CZ PHE A 28 5.613 8.111 -6.475 1.00 0.00 C ATOM 0 H PHE A 28 1.805 8.752 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 28 0.750 7.185 -5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.709 6.417 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.245 5.418 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.910 6.126 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.409 8.074 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.747 7.076 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.249 9.022 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.420 8.531 -7.056 1.00 0.00 H new ATOM 410 N SER A 29 -0.939 5.959 -4.021 1.00 0.00 N ATOM 411 CA SER A 29 -1.948 5.217 -3.292 1.00 0.00 C ATOM 412 C SER A 29 -1.365 3.868 -2.891 1.00 0.00 C ATOM 413 O SER A 29 -0.908 3.101 -3.741 1.00 0.00 O ATOM 414 CB SER A 29 -3.203 5.029 -4.151 1.00 0.00 C ATOM 415 OG SER A 29 -4.256 4.436 -3.409 1.00 0.00 O ATOM 0 H SER A 29 -1.057 5.950 -5.034 1.00 0.00 H new ATOM 0 HA SER A 29 -2.238 5.771 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.528 5.995 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.966 4.404 -5.012 1.00 0.00 H new ATOM 0 HG SER A 29 -5.043 4.331 -3.984 1.00 0.00 H new ATOM 421 N LEU A 30 -1.374 3.592 -1.599 1.00 0.00 N ATOM 422 CA LEU A 30 -0.757 2.382 -1.090 1.00 0.00 C ATOM 423 C LEU A 30 -1.815 1.323 -0.811 1.00 0.00 C ATOM 424 O LEU A 30 -2.898 1.627 -0.319 1.00 0.00 O ATOM 425 CB LEU A 30 0.028 2.684 0.190 1.00 0.00 C ATOM 426 CG LEU A 30 1.150 3.716 0.035 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.796 4.003 1.382 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.191 3.234 -0.958 1.00 0.00 C ATOM 0 H LEU A 30 -1.799 4.186 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.070 2.002 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.668 3.038 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.459 1.754 0.561 1.00 0.00 H new ATOM 0 HG LEU A 30 0.715 4.639 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.591 4.738 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.046 4.395 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.215 3.082 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.978 3.982 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.622 2.296 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.722 3.076 -1.929 1.00 0.00 H new ATOM 440 N GLN A 31 -1.494 0.090 -1.152 1.00 0.00 N ATOM 441 CA GLN A 31 -2.383 -1.023 -0.891 1.00 0.00 C ATOM 442 C GLN A 31 -1.780 -1.924 0.173 1.00 0.00 C ATOM 443 O GLN A 31 -0.638 -2.373 0.045 1.00 0.00 O ATOM 444 CB GLN A 31 -2.653 -1.808 -2.177 1.00 0.00 C ATOM 445 CG GLN A 31 -3.580 -2.998 -1.980 1.00 0.00 C ATOM 446 CD GLN A 31 -3.952 -3.678 -3.284 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.187 -3.675 -4.246 1.00 0.00 O ATOM 448 NE2 GLN A 31 -5.137 -4.266 -3.321 1.00 0.00 N ATOM 0 H GLN A 31 -0.620 -0.166 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.335 -0.638 -0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.089 -1.137 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.705 -2.160 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.099 -3.722 -1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.488 -2.665 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.742 -4.246 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.445 -4.740 -4.170 1.00 0.00 H new ATOM 457 N ALA A 32 -2.540 -2.152 1.232 1.00 0.00 N ATOM 458 CA ALA A 32 -2.100 -3.000 2.327 1.00 0.00 C ATOM 459 C ALA A 32 -2.020 -4.457 1.881 1.00 0.00 C ATOM 460 O ALA A 32 -3.035 -5.077 1.564 1.00 0.00 O ATOM 461 CB ALA A 32 -3.046 -2.843 3.508 1.00 0.00 C ATOM 0 H ALA A 32 -3.472 -1.758 1.356 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.101 -2.693 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.714 -3.480 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.050 -1.803 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.053 -3.133 3.209 1.00 0.00 H new ATOM 467 N LEU A 33 -0.808 -4.987 1.832 1.00 0.00 N ATOM 468 CA LEU A 33 -0.590 -6.356 1.400 1.00 0.00 C ATOM 469 C LEU A 33 0.141 -7.149 2.479 1.00 0.00 C ATOM 470 O LEU A 33 0.841 -6.581 3.322 1.00 0.00 O ATOM 471 CB LEU A 33 0.228 -6.377 0.102 1.00 0.00 C ATOM 472 CG LEU A 33 -0.356 -7.222 -1.032 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.720 -6.693 -1.449 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.590 -7.236 -2.221 1.00 0.00 C ATOM 0 H LEU A 33 0.043 -4.486 2.088 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.561 -6.817 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.340 -5.352 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.228 -6.747 0.329 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.479 -8.243 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.117 -7.308 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.400 -6.728 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.621 -5.663 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.161 -7.841 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.741 -6.217 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.548 -7.660 -1.919 1.00 0.00 H new ATOM 486 N CYS A 34 -0.035 -8.458 2.455 1.00 0.00 N ATOM 487 CA CYS A 34 0.673 -9.343 3.365 1.00 0.00 C ATOM 488 C CYS A 34 1.899 -9.941 2.688 1.00 0.00 C ATOM 489 O CYS A 34 1.860 -10.264 1.501 1.00 0.00 O ATOM 490 CB CYS A 34 -0.232 -10.487 3.827 1.00 0.00 C ATOM 491 SG CYS A 34 -1.289 -10.130 5.254 1.00 0.00 S ATOM 0 H CYS A 34 -0.666 -8.935 1.811 1.00 0.00 H new ATOM 0 HA CYS A 34 0.979 -8.748 4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.868 -10.781 2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.394 -11.346 4.069 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.555 -11.235 5.885 1.00 0.00 H new ATOM 496 N PRO A 35 3.005 -10.088 3.429 1.00 0.00 N ATOM 497 CA PRO A 35 4.162 -10.858 2.969 1.00 0.00 C ATOM 498 C PRO A 35 3.814 -12.342 2.900 1.00 0.00 C ATOM 499 O PRO A 35 4.410 -13.105 2.142 1.00 0.00 O ATOM 500 CB PRO A 35 5.231 -10.602 4.041 1.00 0.00 C ATOM 501 CG PRO A 35 4.734 -9.429 4.821 1.00 0.00 C ATOM 502 CD PRO A 35 3.237 -9.498 4.754 1.00 0.00 C ATOM 0 HA PRO A 35 4.494 -10.569 1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.362 -11.474 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.200 -10.391 3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.081 -9.470 5.853 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.102 -8.494 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.823 -10.115 5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.781 -8.512 4.845 1.00 0.00 H new ATOM 510 N ASP A 36 2.837 -12.726 3.715 1.00 0.00 N ATOM 511 CA ASP A 36 2.298 -14.078 3.725 1.00 0.00 C ATOM 512 C ASP A 36 1.315 -14.281 2.566 1.00 0.00 C ATOM 513 O ASP A 36 1.688 -14.781 1.508 1.00 0.00 O ATOM 514 CB ASP A 36 1.616 -14.356 5.077 1.00 0.00 C ATOM 515 CG ASP A 36 0.715 -13.215 5.525 1.00 0.00 C ATOM 516 OD1 ASP A 36 1.226 -12.192 6.001 1.00 0.00 O ATOM 517 OD2 ASP A 36 -0.525 -13.316 5.375 1.00 0.00 O ATOM 0 H ASP A 36 2.395 -12.103 4.391 1.00 0.00 H new ATOM 0 HA ASP A 36 3.117 -14.785 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.027 -15.270 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.379 -14.530 5.835 1.00 0.00 H new ATOM 522 N CYS A 37 0.064 -13.891 2.770 1.00 0.00 N ATOM 523 CA CYS A 37 -0.941 -13.943 1.721 1.00 0.00 C ATOM 524 C CYS A 37 -0.887 -12.678 0.869 1.00 0.00 C ATOM 525 O CYS A 37 -1.405 -11.629 1.259 1.00 0.00 O ATOM 526 CB CYS A 37 -2.341 -14.139 2.329 1.00 0.00 C ATOM 527 SG CYS A 37 -2.735 -13.033 3.721 1.00 0.00 S ATOM 0 H CYS A 37 -0.279 -13.532 3.661 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.729 -14.795 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.085 -13.992 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.433 -15.171 2.667 1.00 0.00 H new ATOM 532 N ARG A 38 -0.244 -12.777 -0.286 1.00 0.00 N ATOM 533 CA ARG A 38 -0.067 -11.629 -1.167 1.00 0.00 C ATOM 534 C ARG A 38 -1.306 -11.435 -2.038 1.00 0.00 C ATOM 535 O ARG A 38 -1.304 -11.711 -3.242 1.00 0.00 O ATOM 536 CB ARG A 38 1.197 -11.799 -2.019 1.00 0.00 C ATOM 537 CG ARG A 38 1.479 -10.643 -2.969 1.00 0.00 C ATOM 538 CD ARG A 38 2.784 -10.853 -3.718 1.00 0.00 C ATOM 539 NE ARG A 38 3.035 -9.799 -4.700 1.00 0.00 N ATOM 540 CZ ARG A 38 4.240 -9.500 -5.184 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.313 -10.169 -4.783 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.371 -8.540 -6.087 1.00 0.00 N ATOM 0 H ARG A 38 0.165 -13.643 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 38 0.059 -10.732 -0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.053 -11.924 -1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.107 -12.717 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.660 -10.546 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.525 -9.710 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.608 -10.887 -3.005 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.759 -11.819 -4.223 1.00 0.00 H new ATOM 0 HE ARG A 38 2.238 -9.259 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.220 -10.919 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.231 -9.933 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.550 -8.030 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.293 -8.311 -6.458 1.00 0.00 H new ATOM 556 N GLN A 39 -2.377 -10.998 -1.394 1.00 0.00 N ATOM 557 CA GLN A 39 -3.654 -10.745 -2.049 1.00 0.00 C ATOM 558 C GLN A 39 -4.298 -9.527 -1.390 1.00 0.00 C ATOM 559 O GLN A 39 -3.754 -9.017 -0.413 1.00 0.00 O ATOM 560 CB GLN A 39 -4.564 -11.980 -1.932 1.00 0.00 C ATOM 561 CG GLN A 39 -4.023 -13.208 -2.649 1.00 0.00 C ATOM 562 CD GLN A 39 -5.001 -14.368 -2.674 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.989 -15.181 -3.600 1.00 0.00 O ATOM 564 NE2 GLN A 39 -5.857 -14.456 -1.669 1.00 0.00 N ATOM 0 H GLN A 39 -2.386 -10.807 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.502 -10.547 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.705 -12.218 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.546 -11.737 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.764 -12.938 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.102 -13.529 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.837 -13.764 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.537 -15.216 -1.643 1.00 0.00 H new ATOM 573 N PRO A 40 -5.452 -9.033 -1.897 1.00 0.00 N ATOM 574 CA PRO A 40 -6.138 -7.854 -1.324 1.00 0.00 C ATOM 575 C PRO A 40 -6.597 -8.043 0.129 1.00 0.00 C ATOM 576 O PRO A 40 -7.244 -7.161 0.693 1.00 0.00 O ATOM 577 CB PRO A 40 -7.355 -7.662 -2.238 1.00 0.00 C ATOM 578 CG PRO A 40 -7.013 -8.381 -3.497 1.00 0.00 C ATOM 579 CD PRO A 40 -6.166 -9.546 -3.082 1.00 0.00 C ATOM 0 HA PRO A 40 -5.462 -7.000 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.258 -8.071 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.543 -6.605 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.913 -8.715 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.474 -7.730 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.772 -10.420 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.476 -9.844 -3.871 1.00 0.00 H new ATOM 587 N LEU A 41 -6.270 -9.192 0.714 1.00 0.00 N ATOM 588 CA LEU A 41 -6.574 -9.492 2.114 1.00 0.00 C ATOM 589 C LEU A 41 -8.084 -9.524 2.360 1.00 0.00 C ATOM 590 O LEU A 41 -8.717 -10.573 2.218 1.00 0.00 O ATOM 591 CB LEU A 41 -5.880 -8.487 3.057 1.00 0.00 C ATOM 592 CG LEU A 41 -4.358 -8.393 2.906 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.765 -7.484 3.975 1.00 0.00 C ATOM 594 CD2 LEU A 41 -3.726 -9.771 2.970 1.00 0.00 C ATOM 0 H LEU A 41 -5.784 -9.947 0.229 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.182 -10.485 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.307 -7.499 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.111 -8.761 4.087 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.141 -7.961 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.684 -7.432 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.190 -6.485 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.996 -7.884 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.645 -9.681 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.956 -10.233 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.122 -10.391 2.165 1.00 0.00 H new ATOM 606 N GLN A 42 -8.658 -8.378 2.693 1.00 0.00 N ATOM 607 CA GLN A 42 -10.083 -8.268 2.946 1.00 0.00 C ATOM 608 C GLN A 42 -10.486 -6.803 2.917 1.00 0.00 C ATOM 609 O GLN A 42 -9.970 -5.999 3.694 1.00 0.00 O ATOM 610 CB GLN A 42 -10.445 -8.898 4.294 1.00 0.00 C ATOM 611 CG GLN A 42 -11.932 -8.863 4.607 1.00 0.00 C ATOM 612 CD GLN A 42 -12.278 -9.588 5.892 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.565 -10.784 5.885 1.00 0.00 O ATOM 614 NE2 GLN A 42 -12.252 -8.872 7.004 1.00 0.00 N ATOM 0 H GLN A 42 -8.148 -7.500 2.795 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.626 -8.807 2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.105 -9.934 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.904 -8.378 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.259 -7.826 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.483 -9.313 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.009 -7.882 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.475 -9.310 7.898 1.00 0.00 H new ATOM 623 N VAL A 43 -11.389 -6.462 2.009 1.00 0.00 N ATOM 624 CA VAL A 43 -11.818 -5.081 1.839 1.00 0.00 C ATOM 625 C VAL A 43 -12.661 -4.626 3.026 1.00 0.00 C ATOM 626 O VAL A 43 -13.723 -5.190 3.299 1.00 0.00 O ATOM 627 CB VAL A 43 -12.635 -4.894 0.541 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.968 -3.426 0.320 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.886 -5.464 -0.655 1.00 0.00 C ATOM 0 H VAL A 43 -11.840 -7.124 1.377 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.915 -4.474 1.776 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.571 -5.442 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.543 -3.318 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.554 -3.055 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.045 -2.852 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.480 -5.321 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.931 -4.951 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.710 -6.529 -0.501 1.00 0.00 H new ATOM 639 N LEU A 44 -12.173 -3.619 3.728 1.00 0.00 N ATOM 640 CA LEU A 44 -12.891 -3.050 4.856 1.00 0.00 C ATOM 641 C LEU A 44 -13.120 -1.566 4.621 1.00 0.00 C ATOM 642 O LEU A 44 -12.243 -0.871 4.110 1.00 0.00 O ATOM 643 CB LEU A 44 -12.104 -3.248 6.157 1.00 0.00 C ATOM 644 CG LEU A 44 -11.860 -4.702 6.571 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.025 -4.753 7.840 1.00 0.00 C ATOM 646 CD2 LEU A 44 -13.179 -5.429 6.776 1.00 0.00 C ATOM 0 H LEU A 44 -11.275 -3.175 3.535 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.850 -3.560 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.139 -2.752 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.638 -2.745 6.963 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.314 -5.202 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.858 -5.792 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.066 -4.266 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.552 -4.237 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.984 -6.460 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.751 -4.931 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.749 -5.418 5.847 1.00 0.00 H new ATOM 658 N LYS A 45 -14.300 -1.083 4.968 1.00 0.00 N ATOM 659 CA LYS A 45 -14.585 0.335 4.857 1.00 0.00 C ATOM 660 C LYS A 45 -14.364 1.001 6.205 1.00 0.00 C ATOM 661 O LYS A 45 -14.554 0.365 7.245 1.00 0.00 O ATOM 662 CB LYS A 45 -16.010 0.567 4.348 1.00 0.00 C ATOM 663 CG LYS A 45 -16.291 -0.156 3.039 1.00 0.00 C ATOM 664 CD LYS A 45 -17.573 0.324 2.383 1.00 0.00 C ATOM 665 CE LYS A 45 -17.437 1.751 1.873 1.00 0.00 C ATOM 666 NZ LYS A 45 -18.622 2.167 1.083 1.00 0.00 N ATOM 0 H LYS A 45 -15.070 -1.647 5.326 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.907 0.782 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.720 0.231 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.173 1.636 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.456 -0.004 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.359 -1.228 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.829 -0.337 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.393 0.269 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.306 2.428 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.542 1.833 1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.493 3.145 0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.732 1.536 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.473 2.112 1.679 1.00 0.00 H new ATOM 680 N ALA A 46 -13.954 2.271 6.168 1.00 0.00 N ATOM 681 CA ALA A 46 -13.507 3.000 7.355 1.00 0.00 C ATOM 682 C ALA A 46 -12.126 2.496 7.758 1.00 0.00 C ATOM 683 O ALA A 46 -11.389 2.004 6.897 1.00 0.00 O ATOM 684 CB ALA A 46 -14.503 2.896 8.505 1.00 0.00 C ATOM 0 H ALA A 46 -13.923 2.823 5.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.445 4.060 7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.127 3.453 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.462 3.311 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.633 1.849 8.780 1.00 0.00 H new ATOM 690 N CYS A 47 -11.772 2.625 9.044 1.00 0.00 N ATOM 691 CA CYS A 47 -10.422 2.299 9.528 1.00 0.00 C ATOM 692 C CYS A 47 -9.420 3.329 9.000 1.00 0.00 C ATOM 693 O CYS A 47 -8.758 4.028 9.771 1.00 0.00 O ATOM 694 CB CYS A 47 -10.018 0.872 9.116 1.00 0.00 C ATOM 695 SG CYS A 47 -8.318 0.414 9.529 1.00 0.00 S ATOM 0 H CYS A 47 -12.406 2.955 9.772 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.421 2.337 10.617 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.696 0.165 9.595 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.156 0.767 8.040 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.778 -0.205 8.521 1.00 0.00 H new ATOM 701 N GLY A 48 -9.329 3.414 7.684 1.00 0.00 N ATOM 702 CA GLY A 48 -8.585 4.470 7.033 1.00 0.00 C ATOM 703 C GLY A 48 -9.456 5.165 6.005 1.00 0.00 C ATOM 704 O GLY A 48 -9.564 6.393 5.995 1.00 0.00 O ATOM 0 H GLY A 48 -9.768 2.754 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.238 5.191 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.699 4.057 6.551 1.00 0.00 H new ATOM 708 N ALA A 49 -10.108 4.351 5.177 1.00 0.00 N ATOM 709 CA ALA A 49 -11.032 4.817 4.142 1.00 0.00 C ATOM 710 C ALA A 49 -11.568 3.609 3.384 1.00 0.00 C ATOM 711 O ALA A 49 -12.671 3.131 3.648 1.00 0.00 O ATOM 712 CB ALA A 49 -10.356 5.795 3.185 1.00 0.00 C ATOM 0 H ALA A 49 -10.009 3.336 5.206 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.854 5.352 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.072 6.120 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.999 6.661 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.513 5.304 2.698 1.00 0.00 H new ATOM 718 N VAL A 50 -10.761 3.118 2.455 1.00 0.00 N ATOM 719 CA VAL A 50 -11.012 1.850 1.786 1.00 0.00 C ATOM 720 C VAL A 50 -9.813 0.946 2.040 1.00 0.00 C ATOM 721 O VAL A 50 -8.781 1.068 1.380 1.00 0.00 O ATOM 722 CB VAL A 50 -11.227 2.018 0.264 1.00 0.00 C ATOM 723 CG1 VAL A 50 -11.537 0.680 -0.389 1.00 0.00 C ATOM 724 CG2 VAL A 50 -12.335 3.022 -0.018 1.00 0.00 C ATOM 0 H VAL A 50 -9.912 3.589 2.143 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.929 1.418 2.186 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.302 2.401 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.684 0.823 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.706 -0.006 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.443 0.262 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.468 3.124 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.265 2.673 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.067 3.989 0.407 1.00 0.00 H new ATOM 734 N ASP A 51 -9.949 0.067 3.014 1.00 0.00 N ATOM 735 CA ASP A 51 -8.804 -0.643 3.557 1.00 0.00 C ATOM 736 C ASP A 51 -8.752 -2.086 3.072 1.00 0.00 C ATOM 737 O ASP A 51 -9.760 -2.654 2.641 1.00 0.00 O ATOM 738 CB ASP A 51 -8.867 -0.608 5.086 1.00 0.00 C ATOM 739 CG ASP A 51 -7.513 -0.798 5.741 1.00 0.00 C ATOM 740 OD1 ASP A 51 -6.512 -0.971 5.016 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.439 -0.736 6.986 1.00 0.00 O ATOM 0 H ASP A 51 -10.841 -0.174 3.447 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.898 -0.147 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.288 0.346 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.545 -1.387 5.434 1.00 0.00 H new ATOM 746 N TYR A 52 -7.562 -2.662 3.149 1.00 0.00 N ATOM 747 CA TYR A 52 -7.340 -4.063 2.834 1.00 0.00 C ATOM 748 C TYR A 52 -6.639 -4.710 4.021 1.00 0.00 C ATOM 749 O TYR A 52 -5.425 -4.620 4.165 1.00 0.00 O ATOM 750 CB TYR A 52 -6.493 -4.209 1.564 1.00 0.00 C ATOM 751 CG TYR A 52 -7.163 -3.684 0.311 1.00 0.00 C ATOM 752 CD1 TYR A 52 -8.132 -4.430 -0.347 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.819 -2.445 -0.218 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.742 -3.959 -1.492 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.425 -1.968 -1.367 1.00 0.00 C ATOM 756 CZ TYR A 52 -8.386 -2.730 -2.000 1.00 0.00 C ATOM 757 OH TYR A 52 -8.987 -2.262 -3.149 1.00 0.00 O ATOM 0 H TYR A 52 -6.718 -2.166 3.434 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.294 -4.556 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.549 -3.682 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.251 -5.262 1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.413 -5.396 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.068 -1.846 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.496 -4.553 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.147 -1.004 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.624 -1.380 -3.372 1.00 0.00 H new ATOM 767 N PHE A 53 -7.413 -5.351 4.876 1.00 0.00 N ATOM 768 CA PHE A 53 -6.931 -5.744 6.193 1.00 0.00 C ATOM 769 C PHE A 53 -7.626 -7.034 6.635 1.00 0.00 C ATOM 770 O PHE A 53 -8.808 -7.025 6.985 1.00 0.00 O ATOM 771 CB PHE A 53 -7.232 -4.572 7.145 1.00 0.00 C ATOM 772 CG PHE A 53 -6.601 -4.628 8.506 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.332 -4.102 8.737 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.301 -5.165 9.572 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.785 -4.128 10.001 1.00 0.00 C ATOM 776 CE2 PHE A 53 -6.755 -5.183 10.837 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.495 -4.666 11.053 1.00 0.00 C ATOM 0 H PHE A 53 -8.380 -5.612 4.685 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.861 -5.949 6.190 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.913 -3.649 6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.312 -4.507 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.773 -3.671 7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.287 -5.575 9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.797 -3.726 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.314 -5.602 11.660 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.066 -4.683 12.044 1.00 0.00 H new ATOM 787 N CYS A 54 -6.903 -8.154 6.597 1.00 0.00 N ATOM 788 CA CYS A 54 -7.503 -9.446 6.881 1.00 0.00 C ATOM 789 C CYS A 54 -7.426 -9.768 8.368 1.00 0.00 C ATOM 790 O CYS A 54 -6.468 -10.375 8.832 1.00 0.00 O ATOM 791 CB CYS A 54 -6.824 -10.551 6.053 1.00 0.00 C ATOM 792 SG CYS A 54 -5.012 -10.592 6.170 1.00 0.00 S ATOM 0 H CYS A 54 -5.908 -8.187 6.373 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.555 -9.399 6.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.216 -11.517 6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.103 -10.424 5.007 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.656 -10.516 7.418 1.00 0.00 H new ATOM 797 N GLN A 55 -8.440 -9.336 9.109 1.00 0.00 N ATOM 798 CA GLN A 55 -8.514 -9.606 10.540 1.00 0.00 C ATOM 799 C GLN A 55 -8.661 -11.102 10.780 1.00 0.00 C ATOM 800 O GLN A 55 -8.012 -11.677 11.658 1.00 0.00 O ATOM 801 CB GLN A 55 -9.699 -8.864 11.162 1.00 0.00 C ATOM 802 CG GLN A 55 -9.755 -8.961 12.680 1.00 0.00 C ATOM 803 CD GLN A 55 -11.073 -8.480 13.246 1.00 0.00 C ATOM 804 OE1 GLN A 55 -11.247 -7.294 13.533 1.00 0.00 O ATOM 805 NE2 GLN A 55 -12.008 -9.398 13.423 1.00 0.00 N ATOM 0 H GLN A 55 -9.224 -8.796 8.742 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.594 -9.255 11.008 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.649 -7.813 10.876 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.624 -9.264 10.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.591 -9.996 12.980 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.944 -8.372 13.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.823 -10.369 13.172 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.914 -9.135 13.810 1.00 0.00 H new ATOM 814 N ASN A 56 -9.520 -11.719 9.985 1.00 0.00 N ATOM 815 CA ASN A 56 -9.737 -13.152 10.046 1.00 0.00 C ATOM 816 C ASN A 56 -9.180 -13.805 8.790 1.00 0.00 C ATOM 817 O ASN A 56 -8.747 -13.110 7.864 1.00 0.00 O ATOM 818 CB ASN A 56 -11.231 -13.464 10.203 1.00 0.00 C ATOM 819 CG ASN A 56 -12.055 -13.016 9.010 1.00 0.00 C ATOM 820 OD1 ASN A 56 -12.423 -11.847 8.901 1.00 0.00 O ATOM 821 ND2 ASN A 56 -12.387 -13.950 8.132 1.00 0.00 N ATOM 0 H ASN A 56 -10.084 -11.241 9.282 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.217 -13.555 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.360 -14.537 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.607 -12.976 11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.969 -13.711 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.061 -14.908 8.259 1.00 0.00 H new ATOM 828 N GLY A 57 -9.175 -15.129 8.754 1.00 0.00 N ATOM 829 CA GLY A 57 -8.586 -15.836 7.632 1.00 0.00 C ATOM 830 C GLY A 57 -7.089 -15.962 7.805 1.00 0.00 C ATOM 831 O GLY A 57 -6.556 -17.062 7.919 1.00 0.00 O ATOM 0 H GLY A 57 -9.568 -15.728 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.032 -16.827 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.807 -15.306 6.706 1.00 0.00 H new ATOM 835 N HIS A 58 -6.414 -14.824 7.837 1.00 0.00 N ATOM 836 CA HIS A 58 -5.009 -14.786 8.197 1.00 0.00 C ATOM 837 C HIS A 58 -4.863 -14.220 9.605 1.00 0.00 C ATOM 838 O HIS A 58 -4.621 -14.962 10.554 1.00 0.00 O ATOM 839 CB HIS A 58 -4.183 -13.964 7.186 1.00 0.00 C ATOM 840 CG HIS A 58 -2.803 -13.606 7.680 1.00 0.00 C ATOM 841 ND1 HIS A 58 -2.200 -12.378 7.430 1.00 0.00 N ATOM 842 CD2 HIS A 58 -1.941 -14.289 8.473 1.00 0.00 C ATOM 843 CE1 HIS A 58 -1.034 -12.335 8.074 1.00 0.00 C ATOM 844 NE2 HIS A 58 -0.863 -13.477 8.702 1.00 0.00 N ATOM 0 H HIS A 58 -6.819 -13.914 7.617 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.618 -15.803 8.174 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -4.092 -14.530 6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.723 -13.048 6.948 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.079 -15.290 8.854 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.346 -11.503 8.079 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.053 -13.720 9.272 1.00 0.00 H new ATOM 852 N GLY A 59 -5.028 -12.914 9.735 1.00 0.00 N ATOM 853 CA GLY A 59 -4.810 -12.273 11.009 1.00 0.00 C ATOM 854 C GLY A 59 -4.406 -10.836 10.829 1.00 0.00 C ATOM 855 O GLY A 59 -3.590 -10.525 9.960 1.00 0.00 O ATOM 0 H GLY A 59 -5.309 -12.288 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.720 -12.326 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.035 -12.806 11.560 1.00 0.00 H new ATOM 859 N LEU A 60 -4.993 -9.963 11.627 1.00 0.00 N ATOM 860 CA LEU A 60 -4.767 -8.533 11.502 1.00 0.00 C ATOM 861 C LEU A 60 -3.307 -8.179 11.762 1.00 0.00 C ATOM 862 O LEU A 60 -2.696 -8.650 12.724 1.00 0.00 O ATOM 863 CB LEU A 60 -5.680 -7.752 12.457 1.00 0.00 C ATOM 864 CG LEU A 60 -5.481 -8.007 13.956 1.00 0.00 C ATOM 865 CD1 LEU A 60 -6.037 -6.843 14.757 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.158 -9.303 14.382 1.00 0.00 C ATOM 0 H LEU A 60 -5.636 -10.222 12.376 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.009 -8.250 10.478 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.538 -6.688 12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.715 -7.984 12.206 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.412 -8.100 14.149 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.892 -7.031 15.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.517 -5.927 14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.102 -6.734 14.550 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.002 -9.461 15.449 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.227 -9.240 14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.730 -10.137 13.825 1.00 0.00 H new ATOM 878 N ILE A 61 -2.755 -7.357 10.888 1.00 0.00 N ATOM 879 CA ILE A 61 -1.376 -6.921 11.010 1.00 0.00 C ATOM 880 C ILE A 61 -1.353 -5.433 11.309 1.00 0.00 C ATOM 881 O ILE A 61 -2.059 -4.666 10.663 1.00 0.00 O ATOM 882 CB ILE A 61 -0.555 -7.162 9.715 1.00 0.00 C ATOM 883 CG1 ILE A 61 -0.909 -8.496 9.049 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.933 -7.116 10.020 1.00 0.00 C ATOM 885 CD1 ILE A 61 -2.118 -8.417 8.139 1.00 0.00 C ATOM 0 H ILE A 61 -3.246 -6.975 10.079 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.924 -7.504 11.812 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.810 -6.365 9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.052 -8.843 8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.095 -9.241 9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.498 -7.286 9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.191 -6.139 10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.179 -7.890 10.747 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.310 -9.397 7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.987 -8.100 8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.928 -7.696 7.343 1.00 0.00 H new ATOM 897 N SER A 62 -0.562 -5.023 12.283 1.00 0.00 N ATOM 898 CA SER A 62 -0.432 -3.607 12.591 1.00 0.00 C ATOM 899 C SER A 62 0.079 -2.866 11.359 1.00 0.00 C ATOM 900 O SER A 62 0.986 -3.349 10.681 1.00 0.00 O ATOM 901 CB SER A 62 0.519 -3.416 13.772 1.00 0.00 C ATOM 902 OG SER A 62 0.118 -4.216 14.872 1.00 0.00 O ATOM 0 H SER A 62 -0.004 -5.642 12.871 1.00 0.00 H new ATOM 0 HA SER A 62 -1.405 -3.200 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.534 -3.680 13.475 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.536 -2.367 14.066 1.00 0.00 H new ATOM 0 HG SER A 62 0.739 -4.082 15.618 1.00 0.00 H new ATOM 908 N LYS A 63 -0.492 -1.700 11.067 1.00 0.00 N ATOM 909 CA LYS A 63 -0.161 -0.978 9.836 1.00 0.00 C ATOM 910 C LYS A 63 1.270 -0.422 9.857 1.00 0.00 C ATOM 911 O LYS A 63 1.696 0.264 8.932 1.00 0.00 O ATOM 912 CB LYS A 63 -1.166 0.142 9.564 1.00 0.00 C ATOM 913 CG LYS A 63 -2.505 -0.379 9.073 1.00 0.00 C ATOM 914 CD LYS A 63 -3.136 0.555 8.054 1.00 0.00 C ATOM 915 CE LYS A 63 -4.306 -0.116 7.359 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.855 0.706 6.249 1.00 0.00 N ATOM 0 H LYS A 63 -1.181 -1.236 11.659 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.220 -1.702 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.318 0.718 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.752 0.824 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.370 -1.365 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.180 -0.502 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.475 1.465 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.391 0.852 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.987 -1.082 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.094 -0.311 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.342 0.089 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.529 1.400 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.079 1.205 5.770 1.00 0.00 H new ATOM 930 N LYS A 64 1.995 -0.717 10.927 1.00 0.00 N ATOM 931 CA LYS A 64 3.416 -0.401 11.021 1.00 0.00 C ATOM 932 C LYS A 64 4.218 -1.543 10.388 1.00 0.00 C ATOM 933 O LYS A 64 5.360 -1.372 9.962 1.00 0.00 O ATOM 934 CB LYS A 64 3.786 -0.203 12.510 1.00 0.00 C ATOM 935 CG LYS A 64 5.193 0.331 12.789 1.00 0.00 C ATOM 936 CD LYS A 64 6.249 -0.764 12.728 1.00 0.00 C ATOM 937 CE LYS A 64 7.578 -0.315 13.323 1.00 0.00 C ATOM 938 NZ LYS A 64 8.064 0.965 12.740 1.00 0.00 N ATOM 0 H LYS A 64 1.617 -1.181 11.753 1.00 0.00 H new ATOM 0 HA LYS A 64 3.650 0.519 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.064 0.482 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.674 -1.159 13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.435 1.107 12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.213 0.798 13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.891 -1.642 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.400 -1.064 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.468 -0.200 14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.326 -1.091 13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.036 1.147 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.051 0.901 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.446 1.743 13.047 1.00 0.00 H new ATOM 952 N ARG A 65 3.573 -2.701 10.300 1.00 0.00 N ATOM 953 CA ARG A 65 4.207 -3.928 9.831 1.00 0.00 C ATOM 954 C ARG A 65 3.625 -4.371 8.480 1.00 0.00 C ATOM 955 O ARG A 65 4.193 -5.222 7.796 1.00 0.00 O ATOM 956 CB ARG A 65 4.012 -5.016 10.897 1.00 0.00 C ATOM 957 CG ARG A 65 4.522 -6.394 10.511 1.00 0.00 C ATOM 958 CD ARG A 65 4.261 -7.402 11.619 1.00 0.00 C ATOM 959 NE ARG A 65 4.485 -8.777 11.181 1.00 0.00 N ATOM 960 CZ ARG A 65 4.429 -9.838 11.985 1.00 0.00 C ATOM 961 NH1 ARG A 65 4.165 -9.692 13.279 1.00 0.00 N ATOM 962 NH2 ARG A 65 4.626 -11.048 11.483 1.00 0.00 N ATOM 0 H ARG A 65 2.592 -2.816 10.553 1.00 0.00 H new ATOM 0 HA ARG A 65 5.272 -3.752 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.516 -4.702 11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.949 -5.090 11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.034 -6.722 9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.591 -6.345 10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.910 -7.183 12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.234 -7.297 11.968 1.00 0.00 H new ATOM 0 HE ARG A 65 4.698 -8.935 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.003 -8.762 13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.124 -10.510 13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.819 -11.162 10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.585 -11.866 12.092 1.00 0.00 H new ATOM 976 N VAL A 66 2.491 -3.784 8.108 1.00 0.00 N ATOM 977 CA VAL A 66 1.833 -4.103 6.840 1.00 0.00 C ATOM 978 C VAL A 66 2.696 -3.670 5.655 1.00 0.00 C ATOM 979 O VAL A 66 3.305 -2.602 5.678 1.00 0.00 O ATOM 980 CB VAL A 66 0.452 -3.416 6.734 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.204 -3.711 5.396 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.456 -3.857 7.869 1.00 0.00 C ATOM 0 H VAL A 66 2.006 -3.082 8.667 1.00 0.00 H new ATOM 0 HA VAL A 66 1.695 -5.184 6.814 1.00 0.00 H new ATOM 0 HB VAL A 66 0.610 -2.340 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.174 -3.215 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.431 -3.343 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.341 -4.787 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.422 -3.362 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.596 -4.937 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.002 -3.589 8.823 1.00 0.00 H new ATOM 992 N ASN A 67 2.738 -4.504 4.626 1.00 0.00 N ATOM 993 CA ASN A 67 3.495 -4.194 3.423 1.00 0.00 C ATOM 994 C ASN A 67 2.659 -3.326 2.492 1.00 0.00 C ATOM 995 O ASN A 67 1.770 -3.820 1.798 1.00 0.00 O ATOM 996 CB ASN A 67 3.912 -5.483 2.707 1.00 0.00 C ATOM 997 CG ASN A 67 4.699 -5.220 1.436 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.447 -4.249 1.338 1.00 0.00 O ATOM 999 ND2 ASN A 67 4.529 -6.087 0.450 1.00 0.00 N ATOM 0 H ASN A 67 2.255 -5.402 4.601 1.00 0.00 H new ATOM 0 HA ASN A 67 4.394 -3.648 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.514 -6.090 3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.022 -6.063 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.028 -5.962 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.899 -6.880 0.571 1.00 0.00 H new ATOM 1006 N PHE A 68 2.918 -2.029 2.507 1.00 0.00 N ATOM 1007 CA PHE A 68 2.187 -1.097 1.660 1.00 0.00 C ATOM 1008 C PHE A 68 2.808 -1.029 0.273 1.00 0.00 C ATOM 1009 O PHE A 68 3.890 -0.466 0.091 1.00 0.00 O ATOM 1010 CB PHE A 68 2.157 0.297 2.291 1.00 0.00 C ATOM 1011 CG PHE A 68 1.348 0.370 3.551 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -0.021 0.565 3.499 1.00 0.00 C ATOM 1013 CD2 PHE A 68 1.955 0.240 4.787 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.769 0.628 4.659 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.212 0.303 5.947 1.00 0.00 C ATOM 1016 CZ PHE A 68 -0.151 0.496 5.885 1.00 0.00 C ATOM 0 H PHE A 68 3.629 -1.596 3.096 1.00 0.00 H new ATOM 0 HA PHE A 68 1.163 -1.460 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.178 0.611 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.752 1.005 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.510 0.669 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.023 0.087 4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.837 0.780 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.699 0.201 6.906 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.733 0.544 6.793 1.00 0.00 H new ATOM 1026 N VAL A 69 2.125 -1.612 -0.698 1.00 0.00 N ATOM 1027 CA VAL A 69 2.612 -1.629 -2.067 1.00 0.00 C ATOM 1028 C VAL A 69 1.880 -0.586 -2.907 1.00 0.00 C ATOM 1029 O VAL A 69 0.691 -0.335 -2.710 1.00 0.00 O ATOM 1030 CB VAL A 69 2.452 -3.033 -2.699 1.00 0.00 C ATOM 1031 CG1 VAL A 69 0.987 -3.437 -2.788 1.00 0.00 C ATOM 1032 CG2 VAL A 69 3.113 -3.096 -4.068 1.00 0.00 C ATOM 0 H VAL A 69 1.229 -2.081 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 69 3.674 -1.384 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 69 2.956 -3.746 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.909 -4.428 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.553 -3.456 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.448 -2.717 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.985 -4.094 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.652 -2.362 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.176 -2.878 -3.969 1.00 0.00 H new ATOM 1042 N ILE A 70 2.605 0.041 -3.821 1.00 0.00 N ATOM 1043 CA ILE A 70 2.019 1.021 -4.723 1.00 0.00 C ATOM 1044 C ILE A 70 1.307 0.311 -5.868 1.00 0.00 C ATOM 1045 O ILE A 70 1.830 -0.660 -6.422 1.00 0.00 O ATOM 1046 CB ILE A 70 3.094 1.969 -5.303 1.00 0.00 C ATOM 1047 CG1 ILE A 70 3.886 2.630 -4.171 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.450 3.029 -6.192 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.038 3.485 -4.652 1.00 0.00 C ATOM 0 H ILE A 70 3.604 -0.112 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 70 1.307 1.615 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 70 3.781 1.381 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.210 3.247 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.272 1.855 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.222 3.687 -6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.926 2.544 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.742 3.614 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.551 3.920 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.736 2.869 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.657 4.283 -5.290 1.00 0.00 H new ATOM 1061 N SER A 71 0.113 0.775 -6.211 1.00 0.00 N ATOM 1062 CA SER A 71 -0.625 0.210 -7.331 1.00 0.00 C ATOM 1063 C SER A 71 0.007 0.639 -8.657 1.00 0.00 C ATOM 1064 O SER A 71 -0.437 1.596 -9.293 1.00 0.00 O ATOM 1065 CB SER A 71 -2.088 0.643 -7.266 1.00 0.00 C ATOM 1066 OG SER A 71 -2.644 0.348 -5.995 1.00 0.00 O ATOM 0 H SER A 71 -0.363 1.539 -5.731 1.00 0.00 H new ATOM 0 HA SER A 71 -0.582 -0.877 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.165 1.712 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.657 0.135 -8.044 1.00 0.00 H new ATOM 0 HG SER A 71 -3.581 0.635 -5.973 1.00 0.00 H new ATOM 1072 N ASP A 72 1.073 -0.053 -9.041 1.00 0.00 N ATOM 1073 CA ASP A 72 1.803 0.268 -10.265 1.00 0.00 C ATOM 1074 C ASP A 72 1.305 -0.571 -11.438 1.00 0.00 C ATOM 1075 O ASP A 72 1.047 -0.048 -12.521 1.00 0.00 O ATOM 1076 CB ASP A 72 3.305 0.044 -10.057 1.00 0.00 C ATOM 1077 CG ASP A 72 4.123 0.339 -11.299 1.00 0.00 C ATOM 1078 OD1 ASP A 72 4.356 1.529 -11.600 1.00 0.00 O ATOM 1079 OD2 ASP A 72 4.552 -0.619 -11.975 1.00 0.00 O ATOM 0 H ASP A 72 1.454 -0.844 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 72 1.627 1.318 -10.500 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.652 0.677 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.475 -0.989 -9.753 1.00 0.00 H new ATOM 1084 N GLN A 73 1.167 -1.871 -11.224 1.00 0.00 N ATOM 1085 CA GLN A 73 0.684 -2.763 -12.268 1.00 0.00 C ATOM 1086 C GLN A 73 -0.830 -2.916 -12.185 1.00 0.00 C ATOM 1087 O GLN A 73 -1.342 -3.695 -11.384 1.00 0.00 O ATOM 1088 CB GLN A 73 1.361 -4.132 -12.174 1.00 0.00 C ATOM 1089 CG GLN A 73 2.848 -4.093 -12.487 1.00 0.00 C ATOM 1090 CD GLN A 73 3.502 -5.461 -12.444 1.00 0.00 C ATOM 1091 OE1 GLN A 73 3.092 -6.343 -11.687 1.00 0.00 O ATOM 1092 NE2 GLN A 73 4.521 -5.646 -13.265 1.00 0.00 N ATOM 0 H GLN A 73 1.382 -2.331 -10.339 1.00 0.00 H new ATOM 0 HA GLN A 73 0.938 -2.321 -13.232 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.219 -4.531 -11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.870 -4.820 -12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.994 -3.658 -13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.346 -3.436 -11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.828 -4.889 -13.875 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.000 -6.546 -13.288 1.00 0.00 H new ATOM 1101 N LEU A 74 -1.538 -2.150 -13.001 1.00 0.00 N ATOM 1102 CA LEU A 74 -2.992 -2.201 -13.027 1.00 0.00 C ATOM 1103 C LEU A 74 -3.485 -2.623 -14.403 1.00 0.00 C ATOM 1104 O LEU A 74 -3.635 -1.791 -15.302 1.00 0.00 O ATOM 1105 CB LEU A 74 -3.586 -0.840 -12.650 1.00 0.00 C ATOM 1106 CG LEU A 74 -3.274 -0.359 -11.231 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -3.845 1.032 -11.004 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -3.829 -1.333 -10.203 1.00 0.00 C ATOM 0 H LEU A 74 -1.128 -1.484 -13.656 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.320 -2.939 -12.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.221 -0.095 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.668 -0.889 -12.769 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.191 -0.313 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.614 1.359 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.404 1.727 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.926 1.008 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.598 -0.974 -9.200 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.910 -1.409 -10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.378 -2.314 -10.351 1.00 0.00 H new ATOM 1120 N GLU A 75 -3.704 -3.921 -14.568 1.00 0.00 N ATOM 1121 CA GLU A 75 -4.187 -4.467 -15.828 1.00 0.00 C ATOM 1122 C GLU A 75 -5.614 -4.008 -16.099 1.00 0.00 C ATOM 1123 O GLU A 75 -5.862 -3.255 -17.042 1.00 0.00 O ATOM 1124 CB GLU A 75 -4.113 -5.992 -15.803 1.00 0.00 C ATOM 1125 CG GLU A 75 -2.699 -6.525 -15.684 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.822 -6.090 -16.839 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -2.007 -6.618 -17.954 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -0.944 -5.231 -16.638 1.00 0.00 O ATOM 0 H GLU A 75 -3.553 -4.619 -13.839 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.551 -4.099 -16.633 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.705 -6.363 -14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.566 -6.385 -16.713 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.261 -6.180 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.726 -7.614 -15.641 1.00 0.00 H new ATOM 1135 N HIS A 76 -6.552 -4.462 -15.275 1.00 0.00 N ATOM 1136 CA HIS A 76 -7.921 -3.974 -15.358 1.00 0.00 C ATOM 1137 C HIS A 76 -8.059 -2.720 -14.503 1.00 0.00 C ATOM 1138 O HIS A 76 -7.571 -2.672 -13.374 1.00 0.00 O ATOM 1139 CB HIS A 76 -8.942 -5.053 -14.945 1.00 0.00 C ATOM 1140 CG HIS A 76 -8.902 -5.462 -13.500 1.00 0.00 C ATOM 1141 ND1 HIS A 76 -8.118 -6.492 -13.031 1.00 0.00 N ATOM 1142 CD2 HIS A 76 -9.575 -4.987 -12.423 1.00 0.00 C ATOM 1143 CE1 HIS A 76 -8.309 -6.632 -11.732 1.00 0.00 C ATOM 1144 NE2 HIS A 76 -9.188 -5.732 -11.339 1.00 0.00 N ATOM 0 H HIS A 76 -6.391 -5.160 -14.549 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.141 -3.725 -16.396 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.943 -4.687 -15.173 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -8.778 -5.938 -15.560 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -10.284 -4.173 -12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.826 -7.361 -11.098 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -9.525 -5.610 -10.384 1.00 0.00 H new ATOM 1153 N HIS A 77 -8.702 -1.703 -15.052 1.00 0.00 N ATOM 1154 CA HIS A 77 -8.781 -0.406 -14.394 1.00 0.00 C ATOM 1155 C HIS A 77 -10.179 0.189 -14.521 1.00 0.00 C ATOM 1156 O HIS A 77 -10.647 0.498 -15.618 1.00 0.00 O ATOM 1157 CB HIS A 77 -7.722 0.555 -14.963 1.00 0.00 C ATOM 1158 CG HIS A 77 -7.619 0.557 -16.462 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -8.282 1.456 -17.265 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -6.917 -0.243 -17.301 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -7.997 1.210 -18.529 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -7.168 0.187 -18.580 1.00 0.00 N ATOM 0 H HIS A 77 -9.178 -1.749 -15.953 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.576 -0.552 -13.333 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.950 1.566 -14.626 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.750 0.292 -14.546 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.279 -1.066 -17.016 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.379 1.755 -19.379 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.777 -0.219 -19.430 1.00 0.00 H new ATOM 1171 N HIS A 78 -10.845 0.348 -13.386 1.00 0.00 N ATOM 1172 CA HIS A 78 -12.217 0.830 -13.369 1.00 0.00 C ATOM 1173 C HIS A 78 -12.287 2.288 -12.909 1.00 0.00 C ATOM 1174 O HIS A 78 -12.665 2.581 -11.776 1.00 0.00 O ATOM 1175 CB HIS A 78 -13.076 -0.068 -12.464 1.00 0.00 C ATOM 1176 CG HIS A 78 -14.534 0.286 -12.442 1.00 0.00 C ATOM 1177 ND1 HIS A 78 -15.140 0.894 -11.366 1.00 0.00 N ATOM 1178 CD2 HIS A 78 -15.510 0.094 -13.360 1.00 0.00 C ATOM 1179 CE1 HIS A 78 -16.422 1.060 -11.619 1.00 0.00 C ATOM 1180 NE2 HIS A 78 -16.677 0.582 -12.823 1.00 0.00 N ATOM 0 H HIS A 78 -10.456 0.150 -12.464 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.609 0.787 -14.385 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.971 -1.102 -12.793 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.687 -0.016 -11.447 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.393 -0.359 -14.334 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.143 1.511 -10.954 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.589 0.576 -13.279 1.00 0.00 H new ATOM 1189 N HIS A 79 -11.871 3.197 -13.781 1.00 0.00 N ATOM 1190 CA HIS A 79 -12.073 4.623 -13.543 1.00 0.00 C ATOM 1191 C HIS A 79 -13.282 5.089 -14.343 1.00 0.00 C ATOM 1192 O HIS A 79 -13.978 6.026 -13.963 1.00 0.00 O ATOM 1193 CB HIS A 79 -10.826 5.428 -13.937 1.00 0.00 C ATOM 1194 CG HIS A 79 -10.838 6.856 -13.464 1.00 0.00 C ATOM 1195 ND1 HIS A 79 -9.980 7.332 -12.499 1.00 0.00 N ATOM 1196 CD2 HIS A 79 -11.595 7.916 -13.843 1.00 0.00 C ATOM 1197 CE1 HIS A 79 -10.207 8.617 -12.302 1.00 0.00 C ATOM 1198 NE2 HIS A 79 -11.182 8.996 -13.104 1.00 0.00 N ATOM 0 H HIS A 79 -11.394 2.976 -14.655 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.249 4.788 -12.480 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.944 4.931 -13.533 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.729 5.418 -15.023 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -12.377 7.911 -14.588 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.683 9.251 -11.602 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.567 9.939 -13.165 1.00 0.00 H new ATOM 1207 N HIS A 80 -13.527 4.408 -15.453 1.00 0.00 N ATOM 1208 CA HIS A 80 -14.670 4.711 -16.300 1.00 0.00 C ATOM 1209 C HIS A 80 -15.787 3.711 -16.039 1.00 0.00 C ATOM 1210 O HIS A 80 -15.573 2.696 -15.377 1.00 0.00 O ATOM 1211 CB HIS A 80 -14.271 4.683 -17.785 1.00 0.00 C ATOM 1212 CG HIS A 80 -13.954 3.312 -18.318 1.00 0.00 C ATOM 1213 ND1 HIS A 80 -14.687 2.707 -19.316 1.00 0.00 N ATOM 1214 CD2 HIS A 80 -12.982 2.428 -17.985 1.00 0.00 C ATOM 1215 CE1 HIS A 80 -14.184 1.516 -19.570 1.00 0.00 C ATOM 1216 NE2 HIS A 80 -13.146 1.322 -18.781 1.00 0.00 N ATOM 0 H HIS A 80 -12.947 3.639 -15.788 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.023 5.714 -16.060 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.082 5.110 -18.375 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.401 5.325 -17.927 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.220 2.568 -17.233 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.559 0.816 -20.302 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.561 0.487 -18.765 1.00 0.00 H new ATOM 1225 N HIS A 81 -16.964 3.996 -16.571 1.00 0.00 N ATOM 1226 CA HIS A 81 -18.103 3.102 -16.434 1.00 0.00 C ATOM 1227 C HIS A 81 -18.193 2.206 -17.656 1.00 0.00 C ATOM 1228 O HIS A 81 -17.849 1.011 -17.555 1.00 0.00 O ATOM 1229 CB HIS A 81 -19.406 3.892 -16.278 1.00 0.00 C ATOM 1230 CG HIS A 81 -19.512 4.657 -14.993 1.00 0.00 C ATOM 1231 ND1 HIS A 81 -20.462 4.381 -14.035 1.00 0.00 N ATOM 1232 CD2 HIS A 81 -18.797 5.704 -14.517 1.00 0.00 C ATOM 1233 CE1 HIS A 81 -20.325 5.222 -13.028 1.00 0.00 C ATOM 1234 NE2 HIS A 81 -19.325 6.033 -13.296 1.00 0.00 N ATOM 1235 OXT HIS A 81 -18.576 2.718 -18.726 1.00 0.00 O ATOM 0 H HIS A 81 -17.157 4.844 -17.104 1.00 0.00 H new ATOM 0 HA HIS A 81 -17.961 2.496 -15.539 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -19.497 4.589 -17.111 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -20.247 3.202 -16.347 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -17.966 6.189 -15.008 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -20.931 5.241 -12.135 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -18.995 6.786 -12.692 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 10.532 12.422 -4.598 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -1.865 -11.941 5.599 1.00 0.00 ZN