USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 15:sc= -4.17! USER MOD Set 1.2: A 95 ASN : amide:sc= -0.188 X(o=-4.4,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0944 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -60:sc= -2.49 USER MOD Single : A 24 CYS SG : rot -141:sc= -0.15 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 33 HIS : no HE2:sc= 0.859 K(o=0.86,f=-4.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.367! C(o=-0.37!,f=-6.3!) USER MOD Single : A 45 CYS SG : rot -133:sc= -2.56 USER MOD Single : A 46 CYS SG : rot 149:sc= -2.35! USER MOD Single : A 49 SER OG : rot 180:sc= -0.472 USER MOD Single : A 51 HIS : no HE2:sc= 1.04 K(o=1,f=-6.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 160:sc= -0.312 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -54:sc= 0.386 USER MOD Single : A 79 TYR OH : rot -101:sc= -1.69! USER MOD Single : A 84 MET CE :methyl -158:sc= -0.135 (180deg=-0.767) USER MOD Single : A 88 SER OG : rot -62:sc= 1.09 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.167 (180deg=-0.803) USER MOD Single : A 92 THR OG1 : rot 56:sc= 0.491 USER MOD Single : A 94 HIS : no HD1:sc=-0.00927 K(o=-0.0093,f=-0.77) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.984 0.034 -1.559 1.00 0.00 N ATOM 2 CA MET A 1 5.107 -0.529 -0.508 1.00 0.00 C ATOM 3 C MET A 1 4.158 -1.558 -1.107 1.00 0.00 C ATOM 4 O MET A 1 3.896 -1.550 -2.311 1.00 0.00 O ATOM 5 CB MET A 1 4.298 0.574 0.185 1.00 0.00 C ATOM 6 CG MET A 1 3.236 1.207 -0.699 1.00 0.00 C ATOM 7 SD MET A 1 2.252 2.436 0.178 1.00 0.00 S ATOM 8 CE MET A 1 1.049 2.861 -1.080 1.00 0.00 C ATOM 0 H1 MET A 1 6.971 -0.234 -1.368 1.00 0.00 H new ATOM 0 H2 MET A 1 5.697 -0.339 -2.487 1.00 0.00 H new ATOM 0 H3 MET A 1 5.901 1.071 -1.562 1.00 0.00 H new ATOM 0 HA MET A 1 5.743 -1.012 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.818 0.157 1.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.981 1.351 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.715 1.676 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.579 0.428 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.365 3.614 -0.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.563 3.257 -1.956 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.486 1.971 -1.361 1.00 0.00 H new ATOM 20 N THR A 2 3.648 -2.437 -0.264 1.00 0.00 N ATOM 21 CA THR A 2 2.686 -3.438 -0.685 1.00 0.00 C ATOM 22 C THR A 2 1.405 -3.286 0.138 1.00 0.00 C ATOM 23 O THR A 2 1.233 -2.287 0.840 1.00 0.00 O ATOM 24 CB THR A 2 3.267 -4.867 -0.529 1.00 0.00 C ATOM 25 OG1 THR A 2 2.390 -5.840 -1.112 1.00 0.00 O ATOM 26 CG2 THR A 2 3.497 -5.207 0.936 1.00 0.00 C ATOM 0 H THR A 2 3.888 -2.477 0.727 1.00 0.00 H new ATOM 0 HA THR A 2 2.458 -3.288 -1.740 1.00 0.00 H new ATOM 0 HB THR A 2 4.224 -4.889 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.776 -6.734 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.905 -6.215 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.200 -4.496 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.551 -5.155 1.475 1.00 0.00 H new ATOM 34 N MET A 3 0.513 -4.261 0.048 1.00 0.00 N ATOM 35 CA MET A 3 -0.726 -4.231 0.809 1.00 0.00 C ATOM 36 C MET A 3 -0.680 -5.235 1.954 1.00 0.00 C ATOM 37 O MET A 3 0.259 -6.034 2.052 1.00 0.00 O ATOM 38 CB MET A 3 -1.926 -4.504 -0.100 1.00 0.00 C ATOM 39 CG MET A 3 -2.174 -3.392 -1.105 1.00 0.00 C ATOM 40 SD MET A 3 -2.454 -1.798 -0.306 1.00 0.00 S ATOM 41 CE MET A 3 -2.500 -0.708 -1.726 1.00 0.00 C ATOM 0 H MET A 3 0.625 -5.083 -0.545 1.00 0.00 H new ATOM 0 HA MET A 3 -0.840 -3.234 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.764 -5.440 -0.635 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.817 -4.637 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.319 -3.314 -1.776 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.039 -3.646 -1.718 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.667 0.316 -1.393 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.552 -0.766 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.310 -1.010 -2.390 1.00 0.00 H new ATOM 51 N GLY A 4 -1.686 -5.175 2.820 1.00 0.00 N ATOM 52 CA GLY A 4 -1.735 -6.025 3.998 1.00 0.00 C ATOM 53 C GLY A 4 -1.595 -7.505 3.688 1.00 0.00 C ATOM 54 O GLY A 4 -2.035 -7.982 2.642 1.00 0.00 O ATOM 0 H GLY A 4 -2.481 -4.543 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.940 -5.729 4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.679 -5.859 4.516 1.00 0.00 H new ATOM 58 N CYS A 5 -0.968 -8.226 4.604 1.00 0.00 N ATOM 59 CA CYS A 5 -0.787 -9.662 4.460 1.00 0.00 C ATOM 60 C CYS A 5 -1.685 -10.389 5.455 1.00 0.00 C ATOM 61 O CYS A 5 -2.289 -9.752 6.312 1.00 0.00 O ATOM 62 CB CYS A 5 0.675 -10.042 4.700 1.00 0.00 C ATOM 63 SG CYS A 5 1.239 -9.745 6.408 1.00 0.00 S ATOM 0 H CYS A 5 -0.574 -7.837 5.460 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.058 -9.955 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.811 -11.097 4.460 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.306 -9.475 4.015 1.00 0.00 H new ATOM 68 N ARG A 6 -1.747 -11.715 5.348 1.00 0.00 N ATOM 69 CA ARG A 6 -2.581 -12.546 6.226 1.00 0.00 C ATOM 70 C ARG A 6 -2.370 -12.226 7.713 1.00 0.00 C ATOM 71 O ARG A 6 -3.297 -12.324 8.516 1.00 0.00 O ATOM 72 CB ARG A 6 -2.327 -14.044 5.952 1.00 0.00 C ATOM 73 CG ARG A 6 -0.958 -14.578 6.383 1.00 0.00 C ATOM 74 CD ARG A 6 0.193 -14.005 5.562 1.00 0.00 C ATOM 75 NE ARG A 6 0.012 -14.202 4.123 1.00 0.00 N ATOM 76 CZ ARG A 6 0.817 -13.690 3.189 1.00 0.00 C ATOM 77 NH1 ARG A 6 1.913 -13.023 3.540 1.00 0.00 N ATOM 78 NH2 ARG A 6 0.543 -13.875 1.904 1.00 0.00 N ATOM 0 H ARG A 6 -1.223 -12.246 4.653 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.620 -12.312 5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.098 -14.623 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.446 -14.224 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.798 -14.343 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.954 -15.664 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.287 -12.939 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.126 -14.474 5.875 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.780 -14.766 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.142 -12.901 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.525 -12.634 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.282 -14.408 1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.158 -13.484 1.190 1.00 0.00 H new ATOM 92 N HIS A 7 -1.157 -11.814 8.067 1.00 0.00 N ATOM 93 CA HIS A 7 -0.825 -11.474 9.450 1.00 0.00 C ATOM 94 C HIS A 7 -1.602 -10.247 9.930 1.00 0.00 C ATOM 95 O HIS A 7 -1.795 -10.058 11.129 1.00 0.00 O ATOM 96 CB HIS A 7 0.679 -11.234 9.603 1.00 0.00 C ATOM 97 CG HIS A 7 1.511 -12.462 9.394 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.360 -12.579 8.317 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.587 -13.586 10.146 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.926 -13.769 8.440 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.489 -14.411 9.530 1.00 0.00 N ATOM 0 H HIS A 7 -0.382 -11.706 7.412 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.114 -12.322 10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.990 -10.470 8.890 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.875 -10.839 10.600 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.042 -13.791 11.055 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.650 -14.172 7.747 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.774 -15.339 9.842 1.00 0.00 H new ATOM 109 N VAL A 8 -2.033 -9.410 8.989 1.00 0.00 N ATOM 110 CA VAL A 8 -2.759 -8.185 9.315 1.00 0.00 C ATOM 111 C VAL A 8 -4.068 -8.505 10.040 1.00 0.00 C ATOM 112 O VAL A 8 -4.545 -7.719 10.858 1.00 0.00 O ATOM 113 CB VAL A 8 -3.024 -7.327 8.046 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.510 -7.115 7.786 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.317 -5.989 8.162 1.00 0.00 C ATOM 0 H VAL A 8 -1.891 -9.559 7.990 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.132 -7.597 9.986 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.624 -7.879 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.640 -6.510 6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.996 -8.080 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.959 -6.603 8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.510 -5.397 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.688 -5.456 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.244 -6.152 8.265 1.00 0.00 H new ATOM 125 N ALA A 9 -4.636 -9.669 9.747 1.00 0.00 N ATOM 126 CA ALA A 9 -5.867 -10.092 10.396 1.00 0.00 C ATOM 127 C ALA A 9 -5.620 -10.429 11.866 1.00 0.00 C ATOM 128 O ALA A 9 -6.545 -10.430 12.681 1.00 0.00 O ATOM 129 CB ALA A 9 -6.464 -11.287 9.667 1.00 0.00 C ATOM 0 H ALA A 9 -4.265 -10.333 9.067 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.578 -9.267 10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.385 -11.593 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.682 -11.012 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.753 -12.113 9.680 1.00 0.00 H new ATOM 135 N GLY A 10 -4.363 -10.700 12.201 1.00 0.00 N ATOM 136 CA GLY A 10 -4.012 -11.056 13.560 1.00 0.00 C ATOM 137 C GLY A 10 -3.692 -9.847 14.419 1.00 0.00 C ATOM 138 O GLY A 10 -3.959 -9.847 15.621 1.00 0.00 O ATOM 0 H GLY A 10 -3.578 -10.679 11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.836 -11.609 14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.151 -11.724 13.545 1.00 0.00 H new ATOM 142 N ILE A 11 -3.131 -8.812 13.808 1.00 0.00 N ATOM 143 CA ILE A 11 -2.743 -7.612 14.546 1.00 0.00 C ATOM 144 C ILE A 11 -3.956 -6.758 14.896 1.00 0.00 C ATOM 145 O ILE A 11 -4.975 -6.785 14.203 1.00 0.00 O ATOM 146 CB ILE A 11 -1.730 -6.746 13.765 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.326 -6.287 12.429 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.438 -7.518 13.550 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.476 -5.280 11.683 1.00 0.00 C ATOM 0 H ILE A 11 -2.934 -8.776 12.808 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.267 -7.963 15.462 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.505 -5.856 14.352 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.478 -7.159 11.793 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.308 -5.851 12.613 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.269 -6.898 12.998 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.009 -7.786 14.516 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.646 -8.424 12.981 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.969 -5.008 10.750 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.345 -4.389 12.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.502 -5.717 11.465 1.00 0.00 H new ATOM 161 N ARG A 12 -3.840 -6.007 15.978 1.00 0.00 N ATOM 162 CA ARG A 12 -4.899 -5.108 16.414 1.00 0.00 C ATOM 163 C ARG A 12 -4.365 -3.684 16.463 1.00 0.00 C ATOM 164 O ARG A 12 -3.172 -3.464 16.246 1.00 0.00 O ATOM 165 CB ARG A 12 -5.404 -5.507 17.805 1.00 0.00 C ATOM 166 CG ARG A 12 -4.332 -5.414 18.883 1.00 0.00 C ATOM 167 CD ARG A 12 -4.930 -5.371 20.280 1.00 0.00 C ATOM 168 NE ARG A 12 -5.613 -6.610 20.635 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.902 -6.680 20.968 1.00 0.00 C ATOM 170 NH1 ARG A 12 -7.672 -5.600 20.903 1.00 0.00 N ATOM 171 NH2 ARG A 12 -7.425 -7.834 21.349 1.00 0.00 N ATOM 0 H ARG A 12 -3.015 -6.002 16.577 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.726 -5.172 15.707 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.241 -4.865 18.078 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.784 -6.528 17.767 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.662 -6.270 18.802 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.730 -4.520 18.719 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.139 -5.176 21.004 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.633 -4.541 20.345 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.072 -7.475 20.628 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.278 -4.710 20.597 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.657 -5.660 21.159 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.842 -8.670 21.388 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.411 -7.888 21.604 1.00 0.00 H new ATOM 185 N THR A 13 -5.235 -2.720 16.730 1.00 0.00 N ATOM 186 CA THR A 13 -4.781 -1.371 17.015 1.00 0.00 C ATOM 187 C THR A 13 -4.281 -1.304 18.445 1.00 0.00 C ATOM 188 O THR A 13 -5.026 -1.568 19.391 1.00 0.00 O ATOM 189 CB THR A 13 -5.875 -0.311 16.788 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.166 -0.831 17.130 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.869 0.164 15.347 1.00 0.00 C ATOM 0 H THR A 13 -6.247 -2.846 16.755 1.00 0.00 H new ATOM 0 HA THR A 13 -3.975 -1.142 16.318 1.00 0.00 H new ATOM 0 HB THR A 13 -5.660 0.538 17.437 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.846 -0.142 16.980 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.649 0.912 15.207 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.899 0.603 15.113 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.055 -0.681 14.684 1.00 0.00 H new ATOM 199 N VAL A 14 -3.018 -0.972 18.595 1.00 0.00 N ATOM 200 CA VAL A 14 -2.365 -1.031 19.889 1.00 0.00 C ATOM 201 C VAL A 14 -2.107 0.358 20.450 1.00 0.00 C ATOM 202 O VAL A 14 -2.026 1.338 19.708 1.00 0.00 O ATOM 203 CB VAL A 14 -1.038 -1.811 19.807 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.303 -3.287 19.563 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.144 -1.242 18.714 1.00 0.00 C ATOM 0 H VAL A 14 -2.417 -0.656 17.833 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.043 -1.555 20.562 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.520 -1.705 20.760 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.355 -3.823 19.508 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.900 -3.690 20.381 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.844 -3.409 18.625 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.787 -1.808 18.674 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.654 -1.314 17.753 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.076 -0.197 18.931 1.00 0.00 H new ATOM 215 N THR A 15 -1.984 0.428 21.762 1.00 0.00 N ATOM 216 CA THR A 15 -1.739 1.681 22.445 1.00 0.00 C ATOM 217 C THR A 15 -0.244 1.853 22.710 1.00 0.00 C ATOM 218 O THR A 15 0.399 0.959 23.261 1.00 0.00 O ATOM 219 CB THR A 15 -2.516 1.734 23.776 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.906 1.471 23.535 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.364 3.090 24.450 1.00 0.00 C ATOM 0 H THR A 15 -2.051 -0.380 22.381 1.00 0.00 H new ATOM 0 HA THR A 15 -2.084 2.494 21.806 1.00 0.00 H new ATOM 0 HB THR A 15 -2.104 0.974 24.440 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.397 1.504 24.383 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.923 3.096 25.386 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.310 3.278 24.656 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.750 3.869 23.792 1.00 0.00 H new ATOM 229 N PRO A 16 0.331 2.991 22.296 1.00 0.00 N ATOM 230 CA PRO A 16 1.752 3.280 22.508 1.00 0.00 C ATOM 231 C PRO A 16 2.094 3.405 23.989 1.00 0.00 C ATOM 232 O PRO A 16 1.506 4.216 24.706 1.00 0.00 O ATOM 233 CB PRO A 16 1.962 4.618 21.794 1.00 0.00 C ATOM 234 CG PRO A 16 0.606 5.229 21.708 1.00 0.00 C ATOM 235 CD PRO A 16 -0.357 4.084 21.592 1.00 0.00 C ATOM 0 HA PRO A 16 2.391 2.482 22.129 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.648 5.258 22.349 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.393 4.473 20.803 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.392 5.831 22.592 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.530 5.891 20.846 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.317 4.318 22.052 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.556 3.830 20.551 1.00 0.00 H new ATOM 243 N SER A 17 3.038 2.589 24.440 1.00 0.00 N ATOM 244 CA SER A 17 3.455 2.595 25.835 1.00 0.00 C ATOM 245 C SER A 17 4.156 3.908 26.194 1.00 0.00 C ATOM 246 O SER A 17 4.049 4.392 27.324 1.00 0.00 O ATOM 247 CB SER A 17 4.378 1.402 26.108 1.00 0.00 C ATOM 248 OG SER A 17 4.746 1.331 27.476 1.00 0.00 O ATOM 0 H SER A 17 3.531 1.912 23.857 1.00 0.00 H new ATOM 0 HA SER A 17 2.567 2.509 26.461 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.877 0.479 25.817 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.274 1.486 25.493 1.00 0.00 H new ATOM 0 HG SER A 17 5.333 0.559 27.617 1.00 0.00 H new ATOM 254 N ALA A 18 4.858 4.488 25.226 1.00 0.00 N ATOM 255 CA ALA A 18 5.579 5.733 25.444 1.00 0.00 C ATOM 256 C ALA A 18 5.651 6.548 24.158 1.00 0.00 C ATOM 257 O ALA A 18 5.092 6.152 23.135 1.00 0.00 O ATOM 258 CB ALA A 18 6.979 5.448 25.970 1.00 0.00 C ATOM 0 H ALA A 18 4.942 4.113 24.281 1.00 0.00 H new ATOM 0 HA ALA A 18 5.038 6.317 26.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.507 6.389 26.128 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.910 4.907 26.914 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.524 4.844 25.245 1.00 0.00 H new ATOM 264 N LEU A 19 6.323 7.693 24.223 1.00 0.00 N ATOM 265 CA LEU A 19 6.532 8.530 23.046 1.00 0.00 C ATOM 266 C LEU A 19 7.525 7.875 22.096 1.00 0.00 C ATOM 267 O LEU A 19 7.189 7.539 20.965 1.00 0.00 O ATOM 268 CB LEU A 19 7.047 9.915 23.454 1.00 0.00 C ATOM 269 CG LEU A 19 6.029 10.810 24.159 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.690 12.092 24.639 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.874 11.129 23.225 1.00 0.00 C ATOM 0 H LEU A 19 6.733 8.063 25.080 1.00 0.00 H new ATOM 0 HA LEU A 19 5.575 8.644 22.538 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.908 9.785 24.110 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.402 10.430 22.561 1.00 0.00 H new ATOM 0 HG LEU A 19 5.640 10.277 25.026 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.950 12.718 25.139 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.491 11.849 25.337 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.103 12.630 23.786 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.156 11.767 23.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.252 11.646 22.343 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.385 10.203 22.922 1.00 0.00 H new ATOM 283 N GLY A 20 8.747 7.694 22.574 1.00 0.00 N ATOM 284 CA GLY A 20 9.783 7.107 21.754 1.00 0.00 C ATOM 285 C GLY A 20 10.147 5.707 22.199 1.00 0.00 C ATOM 286 O GLY A 20 9.325 5.001 22.781 1.00 0.00 O ATOM 0 H GLY A 20 9.039 7.945 23.519 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.450 7.080 20.716 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.671 7.738 21.788 1.00 0.00 H new ATOM 290 N CYS A 21 11.382 5.307 21.925 1.00 0.00 N ATOM 291 CA CYS A 21 11.855 3.981 22.292 1.00 0.00 C ATOM 292 C CYS A 21 11.939 3.835 23.805 1.00 0.00 C ATOM 293 O CYS A 21 12.759 4.486 24.455 1.00 0.00 O ATOM 294 CB CYS A 21 13.224 3.710 21.671 1.00 0.00 C ATOM 295 SG CYS A 21 13.248 3.794 19.868 1.00 0.00 S ATOM 0 H CYS A 21 12.075 5.884 21.449 1.00 0.00 H new ATOM 0 HA CYS A 21 11.140 3.253 21.910 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.939 4.431 22.067 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.562 2.722 21.982 1.00 0.00 H new ATOM 0 HG CYS A 21 12.429 2.909 19.381 1.00 0.00 H new ATOM 301 N GLU A 22 11.084 2.977 24.346 1.00 0.00 N ATOM 302 CA GLU A 22 11.044 2.699 25.779 1.00 0.00 C ATOM 303 C GLU A 22 12.428 2.330 26.302 1.00 0.00 C ATOM 304 O GLU A 22 12.876 2.838 27.332 1.00 0.00 O ATOM 305 CB GLU A 22 10.083 1.545 26.042 1.00 0.00 C ATOM 306 CG GLU A 22 8.680 1.785 25.517 1.00 0.00 C ATOM 307 CD GLU A 22 7.876 0.507 25.431 1.00 0.00 C ATOM 308 OE1 GLU A 22 8.049 -0.372 26.305 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.087 0.359 24.478 1.00 0.00 O ATOM 0 H GLU A 22 10.397 2.453 23.804 1.00 0.00 H new ATOM 0 HA GLU A 22 10.706 3.597 26.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.482 0.640 25.584 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.033 1.363 27.116 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.166 2.492 26.168 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.737 2.244 24.530 1.00 0.00 H new ATOM 316 N GLU A 23 13.097 1.450 25.568 1.00 0.00 N ATOM 317 CA GLU A 23 14.424 0.977 25.936 1.00 0.00 C ATOM 318 C GLU A 23 15.428 2.125 26.001 1.00 0.00 C ATOM 319 O GLU A 23 16.196 2.235 26.947 1.00 0.00 O ATOM 320 CB GLU A 23 14.895 -0.070 24.928 1.00 0.00 C ATOM 321 CG GLU A 23 16.303 -0.574 25.184 1.00 0.00 C ATOM 322 CD GLU A 23 16.764 -1.541 24.121 1.00 0.00 C ATOM 323 OE1 GLU A 23 17.048 -1.088 22.991 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.839 -2.752 24.412 1.00 0.00 O ATOM 0 H GLU A 23 12.736 1.046 24.704 1.00 0.00 H new ATOM 0 HA GLU A 23 14.362 0.530 26.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.207 -0.915 24.947 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.848 0.356 23.926 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.988 0.273 25.225 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.341 -1.062 26.158 1.00 0.00 H new ATOM 331 N CYS A 24 15.416 2.985 24.997 1.00 0.00 N ATOM 332 CA CYS A 24 16.355 4.094 24.946 1.00 0.00 C ATOM 333 C CYS A 24 16.104 5.085 26.084 1.00 0.00 C ATOM 334 O CYS A 24 17.036 5.715 26.586 1.00 0.00 O ATOM 335 CB CYS A 24 16.263 4.803 23.596 1.00 0.00 C ATOM 336 SG CYS A 24 16.707 3.765 22.182 1.00 0.00 S ATOM 0 H CYS A 24 14.770 2.938 24.209 1.00 0.00 H new ATOM 0 HA CYS A 24 17.360 3.690 25.067 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.245 5.169 23.459 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.916 5.676 23.611 1.00 0.00 H new ATOM 0 HG CYS A 24 17.382 4.469 21.322 1.00 0.00 H new ATOM 342 N LEU A 25 14.850 5.191 26.510 1.00 0.00 N ATOM 343 CA LEU A 25 14.469 6.140 27.553 1.00 0.00 C ATOM 344 C LEU A 25 15.062 5.770 28.912 1.00 0.00 C ATOM 345 O LEU A 25 15.226 6.633 29.774 1.00 0.00 O ATOM 346 CB LEU A 25 12.944 6.231 27.661 1.00 0.00 C ATOM 347 CG LEU A 25 12.244 6.878 26.464 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.734 6.819 26.633 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.704 8.319 26.296 1.00 0.00 C ATOM 0 H LEU A 25 14.078 4.631 26.149 1.00 0.00 H new ATOM 0 HA LEU A 25 14.874 7.111 27.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.545 5.226 27.795 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.692 6.797 28.558 1.00 0.00 H new ATOM 0 HG LEU A 25 12.512 6.321 25.566 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.253 7.284 25.772 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.417 5.779 26.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.448 7.352 27.540 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.197 8.765 25.440 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.464 8.885 27.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.781 8.340 26.131 1.00 0.00 H new ATOM 361 N LYS A 26 15.406 4.497 29.098 1.00 0.00 N ATOM 362 CA LYS A 26 15.907 4.032 30.391 1.00 0.00 C ATOM 363 C LYS A 26 17.331 4.529 30.643 1.00 0.00 C ATOM 364 O LYS A 26 17.785 4.570 31.785 1.00 0.00 O ATOM 365 CB LYS A 26 15.865 2.500 30.475 1.00 0.00 C ATOM 366 CG LYS A 26 16.966 1.811 29.682 1.00 0.00 C ATOM 367 CD LYS A 26 16.820 0.297 29.686 1.00 0.00 C ATOM 368 CE LYS A 26 16.923 -0.270 31.090 1.00 0.00 C ATOM 369 NZ LYS A 26 16.960 -1.756 31.091 1.00 0.00 N ATOM 0 H LYS A 26 15.348 3.776 28.379 1.00 0.00 H new ATOM 0 HA LYS A 26 15.256 4.444 31.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.941 2.201 31.520 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.897 2.152 30.113 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.951 2.172 28.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.936 2.081 30.100 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.859 0.022 29.252 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.592 -0.145 29.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.822 0.115 31.571 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.074 0.072 31.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.031 -2.101 32.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.091 -2.125 30.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.785 -2.083 30.548 1.00 0.00 H new ATOM 383 N ILE A 27 18.033 4.904 29.578 1.00 0.00 N ATOM 384 CA ILE A 27 19.415 5.359 29.704 1.00 0.00 C ATOM 385 C ILE A 27 19.617 6.733 29.075 1.00 0.00 C ATOM 386 O ILE A 27 20.696 7.318 29.179 1.00 0.00 O ATOM 387 CB ILE A 27 20.410 4.366 29.061 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.967 4.005 27.637 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.551 3.118 29.921 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.923 3.080 26.915 1.00 0.00 C ATOM 0 H ILE A 27 17.672 4.902 28.624 1.00 0.00 H new ATOM 0 HA ILE A 27 19.614 5.421 30.774 1.00 0.00 H new ATOM 0 HB ILE A 27 21.387 4.846 28.999 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.985 3.535 27.681 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.856 4.922 27.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.255 2.431 29.452 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.918 3.396 30.909 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.580 2.632 30.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.542 2.871 25.916 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.901 3.555 26.838 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.016 2.147 27.471 1.00 0.00 H new ATOM 402 N GLY A 28 18.581 7.249 28.432 1.00 0.00 N ATOM 403 CA GLY A 28 18.698 8.524 27.749 1.00 0.00 C ATOM 404 C GLY A 28 19.435 8.390 26.432 1.00 0.00 C ATOM 405 O GLY A 28 20.347 9.160 26.134 1.00 0.00 O ATOM 0 H GLY A 28 17.662 6.810 28.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.704 8.933 27.569 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.223 9.233 28.389 1.00 0.00 H new ATOM 409 N SER A 29 19.045 7.395 25.653 1.00 0.00 N ATOM 410 CA SER A 29 19.661 7.140 24.362 1.00 0.00 C ATOM 411 C SER A 29 18.778 7.677 23.241 1.00 0.00 C ATOM 412 O SER A 29 17.551 7.597 23.319 1.00 0.00 O ATOM 413 CB SER A 29 19.889 5.632 24.184 1.00 0.00 C ATOM 414 OG SER A 29 20.495 5.334 22.936 1.00 0.00 O ATOM 0 H SER A 29 18.297 6.745 25.896 1.00 0.00 H new ATOM 0 HA SER A 29 20.623 7.651 24.320 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.520 5.262 24.992 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.936 5.109 24.259 1.00 0.00 H new ATOM 0 HG SER A 29 20.626 4.366 22.859 1.00 0.00 H new ATOM 420 N PRO A 30 19.389 8.249 22.195 1.00 0.00 N ATOM 421 CA PRO A 30 18.655 8.726 21.022 1.00 0.00 C ATOM 422 C PRO A 30 18.151 7.575 20.151 1.00 0.00 C ATOM 423 O PRO A 30 18.475 6.406 20.392 1.00 0.00 O ATOM 424 CB PRO A 30 19.695 9.554 20.267 1.00 0.00 C ATOM 425 CG PRO A 30 21.004 8.962 20.660 1.00 0.00 C ATOM 426 CD PRO A 30 20.839 8.500 22.081 1.00 0.00 C ATOM 0 HA PRO A 30 17.763 9.289 21.297 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.541 9.496 19.189 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.638 10.607 20.541 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.268 8.130 20.007 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.805 9.697 20.579 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.419 7.599 22.280 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.172 9.257 22.791 1.00 0.00 H new ATOM 434 N TRP A 31 17.356 7.912 19.146 1.00 0.00 N ATOM 435 CA TRP A 31 16.827 6.925 18.221 1.00 0.00 C ATOM 436 C TRP A 31 16.622 7.548 16.848 1.00 0.00 C ATOM 437 O TRP A 31 16.515 8.769 16.721 1.00 0.00 O ATOM 438 CB TRP A 31 15.510 6.333 18.743 1.00 0.00 C ATOM 439 CG TRP A 31 14.482 7.359 19.126 1.00 0.00 C ATOM 440 CD1 TRP A 31 13.703 8.100 18.282 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.110 7.745 20.455 1.00 0.00 C ATOM 442 NE1 TRP A 31 12.881 8.927 19.006 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.110 8.728 20.339 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.529 7.358 21.730 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.523 9.327 21.450 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.944 7.953 22.831 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.950 8.927 22.685 1.00 0.00 C ATOM 0 H TRP A 31 17.062 8.869 18.951 1.00 0.00 H new ATOM 0 HA TRP A 31 17.551 6.115 18.135 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.089 5.682 17.977 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.724 5.708 19.610 1.00 0.00 H new ATOM 0 HD1 TRP A 31 13.730 8.043 17.204 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.208 9.584 18.613 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.296 6.608 21.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.758 10.081 21.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.259 7.661 23.822 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.511 9.372 23.566 1.00 0.00 H new ATOM 458 N VAL A 32 16.578 6.706 15.826 1.00 0.00 N ATOM 459 CA VAL A 32 16.387 7.175 14.464 1.00 0.00 C ATOM 460 C VAL A 32 14.905 7.173 14.105 1.00 0.00 C ATOM 461 O VAL A 32 14.294 8.226 13.947 1.00 0.00 O ATOM 462 CB VAL A 32 17.165 6.308 13.451 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.067 6.895 12.052 1.00 0.00 C ATOM 464 CG2 VAL A 32 18.620 6.163 13.870 1.00 0.00 C ATOM 0 H VAL A 32 16.672 5.694 15.915 1.00 0.00 H new ATOM 0 HA VAL A 32 16.774 8.193 14.412 1.00 0.00 H new ATOM 0 HB VAL A 32 16.713 5.316 13.438 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.622 6.268 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.021 6.938 11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 32 17.487 7.901 12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.149 5.548 13.142 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.084 7.148 13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 32 18.671 5.689 14.850 1.00 0.00 H new ATOM 474 N HIS A 33 14.326 5.986 13.986 1.00 0.00 N ATOM 475 CA HIS A 33 12.912 5.866 13.673 1.00 0.00 C ATOM 476 C HIS A 33 12.220 4.983 14.695 1.00 0.00 C ATOM 477 O HIS A 33 12.813 4.042 15.226 1.00 0.00 O ATOM 478 CB HIS A 33 12.698 5.295 12.267 1.00 0.00 C ATOM 479 CG HIS A 33 13.227 6.168 11.174 1.00 0.00 C ATOM 480 ND1 HIS A 33 14.169 5.743 10.263 1.00 0.00 N ATOM 481 CD2 HIS A 33 12.939 7.449 10.846 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.438 6.726 9.425 1.00 0.00 C ATOM 483 NE2 HIS A 33 13.705 7.771 9.757 1.00 0.00 N ATOM 0 H HIS A 33 14.813 5.097 14.101 1.00 0.00 H new ATOM 0 HA HIS A 33 12.479 6.866 13.706 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.179 4.319 12.204 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.631 5.136 12.108 1.00 0.00 H new ATOM 0 HD1 HIS A 33 14.592 4.815 10.240 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.236 8.097 11.349 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.140 6.682 8.605 1.00 0.00 H new ATOM 492 N LEU A 34 10.972 5.298 14.973 1.00 0.00 N ATOM 493 CA LEU A 34 10.181 4.518 15.904 1.00 0.00 C ATOM 494 C LEU A 34 9.317 3.523 15.162 1.00 0.00 C ATOM 495 O LEU A 34 8.682 3.863 14.161 1.00 0.00 O ATOM 496 CB LEU A 34 9.288 5.429 16.736 1.00 0.00 C ATOM 497 CG LEU A 34 10.024 6.465 17.569 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.031 7.316 18.328 1.00 0.00 C ATOM 499 CD2 LEU A 34 10.990 5.786 18.524 1.00 0.00 C ATOM 0 H LEU A 34 10.481 6.093 14.565 1.00 0.00 H new ATOM 0 HA LEU A 34 10.866 3.982 16.561 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.599 5.945 16.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.685 4.812 17.402 1.00 0.00 H new ATOM 0 HG LEU A 34 10.599 7.110 16.905 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.566 8.056 18.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.373 7.824 17.623 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.437 6.682 18.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.510 6.541 19.114 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.438 5.123 19.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.717 5.206 17.955 1.00 0.00 H new ATOM 511 N ARG A 35 9.306 2.296 15.643 1.00 0.00 N ATOM 512 CA ARG A 35 8.408 1.290 15.120 1.00 0.00 C ATOM 513 C ARG A 35 7.631 0.662 16.269 1.00 0.00 C ATOM 514 O ARG A 35 8.211 0.061 17.176 1.00 0.00 O ATOM 515 CB ARG A 35 9.169 0.227 14.321 1.00 0.00 C ATOM 516 CG ARG A 35 9.906 0.782 13.105 1.00 0.00 C ATOM 517 CD ARG A 35 10.465 -0.335 12.238 1.00 0.00 C ATOM 518 NE ARG A 35 11.381 0.148 11.204 1.00 0.00 N ATOM 519 CZ ARG A 35 12.394 -0.576 10.721 1.00 0.00 C ATOM 520 NH1 ARG A 35 12.575 -1.826 11.134 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.219 -0.060 9.819 1.00 0.00 N ATOM 0 H ARG A 35 9.911 1.972 16.397 1.00 0.00 H new ATOM 0 HA ARG A 35 7.707 1.764 14.433 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.888 -0.263 14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.467 -0.538 13.991 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.226 1.397 12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.718 1.430 13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.987 -1.053 12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.640 -0.868 11.765 1.00 0.00 H new ATOM 0 HE ARG A 35 11.238 1.087 10.833 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.940 -2.233 11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.349 -2.378 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.082 0.896 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.990 -0.619 9.455 1.00 0.00 H new ATOM 535 N ILE A 36 6.319 0.817 16.229 1.00 0.00 N ATOM 536 CA ILE A 36 5.457 0.338 17.295 1.00 0.00 C ATOM 537 C ILE A 36 4.905 -1.027 16.935 1.00 0.00 C ATOM 538 O ILE A 36 4.309 -1.232 15.880 1.00 0.00 O ATOM 539 CB ILE A 36 4.306 1.326 17.610 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.409 0.761 18.717 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.494 1.643 16.360 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.312 1.705 19.156 1.00 0.00 C ATOM 0 H ILE A 36 5.825 1.275 15.463 1.00 0.00 H new ATOM 0 HA ILE A 36 6.061 0.259 18.199 1.00 0.00 H new ATOM 0 HB ILE A 36 4.745 2.260 17.962 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.958 -0.168 18.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.027 0.510 19.580 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.694 2.339 16.613 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.143 2.094 15.609 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.064 0.724 15.963 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.720 1.235 19.941 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.755 2.625 19.537 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.670 1.936 18.306 1.00 0.00 H new ATOM 554 N CYS A 37 5.145 -1.964 17.814 1.00 0.00 N ATOM 555 CA CYS A 37 4.791 -3.344 17.584 1.00 0.00 C ATOM 556 C CYS A 37 3.281 -3.539 17.686 1.00 0.00 C ATOM 557 O CYS A 37 2.705 -3.431 18.770 1.00 0.00 O ATOM 558 CB CYS A 37 5.524 -4.186 18.606 1.00 0.00 C ATOM 559 SG CYS A 37 5.332 -5.974 18.418 1.00 0.00 S ATOM 0 H CYS A 37 5.593 -1.793 18.714 1.00 0.00 H new ATOM 0 HA CYS A 37 5.081 -3.648 16.578 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.586 -3.944 18.557 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.178 -3.903 19.600 1.00 0.00 H new ATOM 564 N ARG A 38 2.655 -3.863 16.556 1.00 0.00 N ATOM 565 CA ARG A 38 1.193 -3.906 16.445 1.00 0.00 C ATOM 566 C ARG A 38 0.574 -5.107 17.162 1.00 0.00 C ATOM 567 O ARG A 38 -0.621 -5.366 17.024 1.00 0.00 O ATOM 568 CB ARG A 38 0.784 -3.933 14.971 1.00 0.00 C ATOM 569 CG ARG A 38 1.005 -2.617 14.242 1.00 0.00 C ATOM 570 CD ARG A 38 0.042 -1.541 14.722 1.00 0.00 C ATOM 571 NE ARG A 38 -1.353 -1.964 14.592 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.295 -1.258 13.966 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.013 -0.074 13.443 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.527 -1.740 13.878 1.00 0.00 N ATOM 0 H ARG A 38 3.142 -4.103 15.693 1.00 0.00 H new ATOM 0 HA ARG A 38 0.816 -3.007 16.932 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.346 -4.716 14.463 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.270 -4.202 14.902 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.031 -2.283 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.877 -2.768 13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.254 -1.302 15.764 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.200 -0.629 14.147 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.622 -2.856 15.007 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.069 0.305 13.517 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.740 0.459 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.750 -2.647 14.288 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.251 -1.204 13.400 1.00 0.00 H new ATOM 588 N THR A 39 1.374 -5.836 17.921 1.00 0.00 N ATOM 589 CA THR A 39 0.864 -6.985 18.650 1.00 0.00 C ATOM 590 C THR A 39 0.787 -6.710 20.153 1.00 0.00 C ATOM 591 O THR A 39 -0.136 -7.163 20.825 1.00 0.00 O ATOM 592 CB THR A 39 1.739 -8.227 18.406 1.00 0.00 C ATOM 593 OG1 THR A 39 2.062 -8.330 17.012 1.00 0.00 O ATOM 594 CG2 THR A 39 1.024 -9.490 18.862 1.00 0.00 C ATOM 0 H THR A 39 2.370 -5.656 18.048 1.00 0.00 H new ATOM 0 HA THR A 39 -0.143 -7.174 18.277 1.00 0.00 H new ATOM 0 HB THR A 39 2.656 -8.120 18.985 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.620 -9.121 16.863 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.662 -10.355 18.680 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.804 -9.419 19.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.093 -9.602 18.306 1.00 0.00 H new ATOM 602 N CYS A 40 1.747 -5.955 20.680 1.00 0.00 N ATOM 603 CA CYS A 40 1.807 -5.727 22.123 1.00 0.00 C ATOM 604 C CYS A 40 1.876 -4.237 22.453 1.00 0.00 C ATOM 605 O CYS A 40 1.970 -3.858 23.615 1.00 0.00 O ATOM 606 CB CYS A 40 3.000 -6.473 22.735 1.00 0.00 C ATOM 607 SG CYS A 40 4.627 -5.895 22.158 1.00 0.00 S ATOM 0 H CYS A 40 2.483 -5.497 20.142 1.00 0.00 H new ATOM 0 HA CYS A 40 0.888 -6.119 22.560 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.957 -6.374 23.820 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.904 -7.535 22.508 1.00 0.00 H new ATOM 612 N GLY A 41 1.857 -3.395 21.422 1.00 0.00 N ATOM 613 CA GLY A 41 1.750 -1.960 21.635 1.00 0.00 C ATOM 614 C GLY A 41 3.027 -1.318 22.140 1.00 0.00 C ATOM 615 O GLY A 41 3.024 -0.155 22.542 1.00 0.00 O ATOM 0 H GLY A 41 1.914 -3.680 20.444 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.461 -1.484 20.698 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.950 -1.767 22.350 1.00 0.00 H new ATOM 619 N HIS A 42 4.124 -2.056 22.115 1.00 0.00 N ATOM 620 CA HIS A 42 5.381 -1.521 22.612 1.00 0.00 C ATOM 621 C HIS A 42 6.201 -0.933 21.478 1.00 0.00 C ATOM 622 O HIS A 42 6.201 -1.458 20.358 1.00 0.00 O ATOM 623 CB HIS A 42 6.174 -2.587 23.365 1.00 0.00 C ATOM 624 CG HIS A 42 5.671 -2.823 24.758 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.135 -2.127 25.851 1.00 0.00 N ATOM 626 CD2 HIS A 42 4.738 -3.680 25.233 1.00 0.00 C ATOM 627 CE1 HIS A 42 5.514 -2.546 26.935 1.00 0.00 C ATOM 628 NE2 HIS A 42 4.660 -3.487 26.589 1.00 0.00 N ATOM 0 H HIS A 42 4.171 -3.012 21.762 1.00 0.00 H new ATOM 0 HA HIS A 42 5.151 -0.720 23.315 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.133 -3.523 22.807 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.221 -2.288 23.409 1.00 0.00 H new ATOM 0 HD1 HIS A 42 6.849 -1.399 25.826 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.162 -4.385 24.652 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.678 -2.180 27.938 1.00 0.00 H new ATOM 637 N VAL A 43 6.885 0.161 21.772 1.00 0.00 N ATOM 638 CA VAL A 43 7.660 0.878 20.775 1.00 0.00 C ATOM 639 C VAL A 43 9.112 0.424 20.815 1.00 0.00 C ATOM 640 O VAL A 43 9.762 0.459 21.865 1.00 0.00 O ATOM 641 CB VAL A 43 7.592 2.405 20.992 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.306 3.143 19.870 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.146 2.868 21.104 1.00 0.00 C ATOM 0 H VAL A 43 6.918 0.575 22.704 1.00 0.00 H new ATOM 0 HA VAL A 43 7.230 0.653 19.799 1.00 0.00 H new ATOM 0 HB VAL A 43 8.100 2.637 21.928 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.245 4.217 20.044 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.352 2.839 19.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.833 2.903 18.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.120 3.947 21.257 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.612 2.618 20.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.669 2.371 21.949 1.00 0.00 H new ATOM 653 N GLY A 44 9.615 -0.011 19.673 1.00 0.00 N ATOM 654 CA GLY A 44 10.971 -0.497 19.607 1.00 0.00 C ATOM 655 C GLY A 44 11.834 0.329 18.681 1.00 0.00 C ATOM 656 O GLY A 44 11.339 0.928 17.721 1.00 0.00 O ATOM 0 H GLY A 44 9.106 -0.036 18.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.406 -0.491 20.607 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.967 -1.533 19.268 1.00 0.00 H new ATOM 660 N CYS A 45 13.121 0.375 18.982 1.00 0.00 N ATOM 661 CA CYS A 45 14.083 1.048 18.131 1.00 0.00 C ATOM 662 C CYS A 45 14.324 0.228 16.872 1.00 0.00 C ATOM 663 O CYS A 45 14.642 -0.963 16.942 1.00 0.00 O ATOM 664 CB CYS A 45 15.385 1.270 18.898 1.00 0.00 C ATOM 665 SG CYS A 45 15.908 -0.164 19.862 1.00 0.00 S ATOM 0 H CYS A 45 13.524 -0.050 19.817 1.00 0.00 H new ATOM 0 HA CYS A 45 13.689 2.020 17.834 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.173 1.530 18.192 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.263 2.122 19.567 1.00 0.00 H new ATOM 0 HG CYS A 45 16.237 0.216 21.061 1.00 0.00 H new ATOM 671 N CYS A 46 14.157 0.872 15.729 1.00 0.00 N ATOM 672 CA CYS A 46 14.228 0.203 14.439 1.00 0.00 C ATOM 673 C CYS A 46 15.643 -0.267 14.113 1.00 0.00 C ATOM 674 O CYS A 46 16.592 0.001 14.855 1.00 0.00 O ATOM 675 CB CYS A 46 13.748 1.158 13.353 1.00 0.00 C ATOM 676 SG CYS A 46 14.701 2.687 13.263 1.00 0.00 S ATOM 0 H CYS A 46 13.968 1.873 15.668 1.00 0.00 H new ATOM 0 HA CYS A 46 13.590 -0.679 14.484 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.797 0.652 12.389 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.701 1.402 13.532 1.00 0.00 H new ATOM 0 HG CYS A 46 14.724 3.112 12.035 1.00 0.00 H new ATOM 682 N ASP A 47 15.776 -0.941 12.975 1.00 0.00 N ATOM 683 CA ASP A 47 17.068 -1.440 12.513 1.00 0.00 C ATOM 684 C ASP A 47 17.956 -0.312 11.991 1.00 0.00 C ATOM 685 O ASP A 47 19.126 -0.532 11.675 1.00 0.00 O ATOM 686 CB ASP A 47 16.891 -2.519 11.437 1.00 0.00 C ATOM 687 CG ASP A 47 15.736 -2.243 10.494 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.752 -1.213 9.794 1.00 0.00 O ATOM 689 OD2 ASP A 47 14.794 -3.060 10.459 1.00 0.00 O ATOM 0 H ASP A 47 14.998 -1.156 12.351 1.00 0.00 H new ATOM 0 HA ASP A 47 17.565 -1.887 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.811 -2.600 10.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.733 -3.483 11.921 1.00 0.00 H new ATOM 694 N ASP A 48 17.402 0.897 11.907 1.00 0.00 N ATOM 695 CA ASP A 48 18.197 2.076 11.566 1.00 0.00 C ATOM 696 C ASP A 48 19.053 2.469 12.766 1.00 0.00 C ATOM 697 O ASP A 48 20.078 3.135 12.631 1.00 0.00 O ATOM 698 CB ASP A 48 17.317 3.277 11.181 1.00 0.00 C ATOM 699 CG ASP A 48 16.270 2.975 10.124 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.630 2.587 8.997 1.00 0.00 O ATOM 701 OD2 ASP A 48 15.065 3.154 10.421 1.00 0.00 O ATOM 0 H ASP A 48 16.413 1.085 12.069 1.00 0.00 H new ATOM 0 HA ASP A 48 18.816 1.817 10.707 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.816 3.646 12.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.959 4.081 10.820 1.00 0.00 H new ATOM 706 N SER A 49 18.613 2.044 13.944 1.00 0.00 N ATOM 707 CA SER A 49 19.285 2.371 15.191 1.00 0.00 C ATOM 708 C SER A 49 20.322 1.300 15.528 1.00 0.00 C ATOM 709 O SER A 49 20.135 0.131 15.196 1.00 0.00 O ATOM 710 CB SER A 49 18.245 2.481 16.316 1.00 0.00 C ATOM 711 OG SER A 49 18.848 2.773 17.566 1.00 0.00 O ATOM 0 H SER A 49 17.782 1.464 14.060 1.00 0.00 H new ATOM 0 HA SER A 49 19.800 3.326 15.085 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.524 3.261 16.069 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.690 1.546 16.390 1.00 0.00 H new ATOM 0 HG SER A 49 18.155 2.837 18.256 1.00 0.00 H new ATOM 717 N PRO A 50 21.435 1.686 16.180 1.00 0.00 N ATOM 718 CA PRO A 50 22.475 0.739 16.614 1.00 0.00 C ATOM 719 C PRO A 50 21.969 -0.249 17.669 1.00 0.00 C ATOM 720 O PRO A 50 22.653 -1.213 18.011 1.00 0.00 O ATOM 721 CB PRO A 50 23.563 1.642 17.205 1.00 0.00 C ATOM 722 CG PRO A 50 22.867 2.913 17.550 1.00 0.00 C ATOM 723 CD PRO A 50 21.785 3.077 16.523 1.00 0.00 C ATOM 0 HA PRO A 50 22.821 0.117 15.788 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.016 1.189 18.087 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.365 1.814 16.488 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.449 2.869 18.556 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.558 3.756 17.528 1.00 0.00 H new ATOM 0 HD2 PRO A 50 20.929 3.621 16.923 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.136 3.631 15.652 1.00 0.00 H new ATOM 731 N HIS A 51 20.772 0.000 18.188 1.00 0.00 N ATOM 732 CA HIS A 51 20.156 -0.898 19.158 1.00 0.00 C ATOM 733 C HIS A 51 19.506 -2.094 18.460 1.00 0.00 C ATOM 734 O HIS A 51 19.848 -3.242 18.740 1.00 0.00 O ATOM 735 CB HIS A 51 19.105 -0.158 19.987 1.00 0.00 C ATOM 736 CG HIS A 51 19.642 0.550 21.194 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.089 0.404 22.444 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.662 1.427 21.338 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.740 1.160 23.305 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.706 1.793 22.664 1.00 0.00 N ATOM 0 H HIS A 51 20.208 0.817 17.953 1.00 0.00 H new ATOM 0 HA HIS A 51 20.943 -1.261 19.819 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.605 0.570 19.348 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.347 -0.872 20.309 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.297 -0.197 22.670 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.321 1.776 20.556 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.520 1.247 24.359 1.00 0.00 H new ATOM 749 N LYS A 52 18.572 -1.805 17.550 1.00 0.00 N ATOM 750 CA LYS A 52 17.810 -2.835 16.833 1.00 0.00 C ATOM 751 C LYS A 52 17.045 -3.742 17.795 1.00 0.00 C ATOM 752 O LYS A 52 16.978 -4.953 17.598 1.00 0.00 O ATOM 753 CB LYS A 52 18.717 -3.698 15.948 1.00 0.00 C ATOM 754 CG LYS A 52 19.461 -2.930 14.872 1.00 0.00 C ATOM 755 CD LYS A 52 19.781 -3.820 13.679 1.00 0.00 C ATOM 756 CE LYS A 52 20.532 -5.076 14.092 1.00 0.00 C ATOM 757 NZ LYS A 52 20.738 -5.998 12.945 1.00 0.00 N ATOM 0 H LYS A 52 18.322 -0.851 17.288 1.00 0.00 H new ATOM 0 HA LYS A 52 17.098 -2.304 16.201 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.443 -4.207 16.581 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.112 -4.470 15.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.859 -2.082 14.545 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.385 -2.525 15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.855 -4.100 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.378 -3.261 12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.498 -4.800 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.977 -5.590 14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.253 -6.842 13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.815 -6.282 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.290 -5.516 12.207 1.00 0.00 H new ATOM 771 N HIS A 53 16.447 -3.164 18.825 1.00 0.00 N ATOM 772 CA HIS A 53 15.700 -3.959 19.790 1.00 0.00 C ATOM 773 C HIS A 53 14.382 -4.435 19.186 1.00 0.00 C ATOM 774 O HIS A 53 13.830 -5.444 19.613 1.00 0.00 O ATOM 775 CB HIS A 53 15.439 -3.165 21.072 1.00 0.00 C ATOM 776 CG HIS A 53 14.823 -3.980 22.171 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.572 -3.725 22.692 1.00 0.00 N ATOM 778 CD2 HIS A 53 15.297 -5.053 22.850 1.00 0.00 C ATOM 779 CE1 HIS A 53 13.307 -4.603 23.640 1.00 0.00 C ATOM 780 NE2 HIS A 53 14.335 -5.420 23.758 1.00 0.00 N ATOM 0 H HIS A 53 16.462 -2.162 19.014 1.00 0.00 H new ATOM 0 HA HIS A 53 16.303 -4.830 20.045 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.380 -2.745 21.427 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.782 -2.326 20.842 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.254 -5.531 22.704 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.399 -4.646 24.223 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.404 -6.197 24.416 1.00 0.00 H new ATOM 789 N ALA A 54 13.892 -3.713 18.183 1.00 0.00 N ATOM 790 CA ALA A 54 12.636 -4.065 17.533 1.00 0.00 C ATOM 791 C ALA A 54 12.753 -5.392 16.789 1.00 0.00 C ATOM 792 O ALA A 54 11.869 -6.246 16.886 1.00 0.00 O ATOM 793 CB ALA A 54 12.200 -2.962 16.580 1.00 0.00 C ATOM 0 H ALA A 54 14.345 -2.882 17.804 1.00 0.00 H new ATOM 0 HA ALA A 54 11.879 -4.177 18.309 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.260 -3.243 16.104 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.062 -2.034 17.136 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.964 -2.818 15.817 1.00 0.00 H new ATOM 799 N THR A 55 13.851 -5.566 16.062 1.00 0.00 N ATOM 800 CA THR A 55 14.070 -6.777 15.283 1.00 0.00 C ATOM 801 C THR A 55 14.281 -7.982 16.196 1.00 0.00 C ATOM 802 O THR A 55 13.678 -9.039 16.005 1.00 0.00 O ATOM 803 CB THR A 55 15.283 -6.610 14.347 1.00 0.00 C ATOM 804 OG1 THR A 55 16.384 -6.059 15.078 1.00 0.00 O ATOM 805 CG2 THR A 55 14.949 -5.699 13.176 1.00 0.00 C ATOM 0 H THR A 55 14.604 -4.881 15.996 1.00 0.00 H new ATOM 0 HA THR A 55 13.179 -6.950 14.679 1.00 0.00 H new ATOM 0 HB THR A 55 15.550 -7.592 13.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.219 -6.246 14.601 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.823 -5.599 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.125 -6.127 12.605 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.660 -4.717 13.550 1.00 0.00 H new ATOM 813 N ARG A 56 15.117 -7.799 17.212 1.00 0.00 N ATOM 814 CA ARG A 56 15.408 -8.859 18.170 1.00 0.00 C ATOM 815 C ARG A 56 14.165 -9.195 18.994 1.00 0.00 C ATOM 816 O ARG A 56 14.021 -10.308 19.501 1.00 0.00 O ATOM 817 CB ARG A 56 16.559 -8.437 19.088 1.00 0.00 C ATOM 818 CG ARG A 56 17.795 -7.975 18.330 1.00 0.00 C ATOM 819 CD ARG A 56 18.930 -7.603 19.270 1.00 0.00 C ATOM 820 NE ARG A 56 19.510 -8.775 19.927 1.00 0.00 N ATOM 821 CZ ARG A 56 20.465 -8.713 20.857 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.902 -7.539 21.296 1.00 0.00 N ATOM 823 NH2 ARG A 56 20.975 -9.832 21.357 1.00 0.00 N ATOM 0 H ARG A 56 15.607 -6.923 17.394 1.00 0.00 H new ATOM 0 HA ARG A 56 15.706 -9.752 17.621 1.00 0.00 H new ATOM 0 HB2 ARG A 56 16.219 -7.632 19.739 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.828 -9.275 19.731 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.125 -8.767 17.657 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.540 -7.115 17.710 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.706 -7.081 18.711 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.561 -6.910 20.026 1.00 0.00 H new ATOM 0 HE ARG A 56 19.163 -9.696 19.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.508 -6.676 20.922 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.632 -7.500 22.007 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.637 -10.737 21.030 1.00 0.00 H new ATOM 0 HH22 ARG A 56 21.705 -9.787 22.068 1.00 0.00 H new ATOM 837 N HIS A 57 13.264 -8.224 19.106 1.00 0.00 N ATOM 838 CA HIS A 57 12.006 -8.408 19.822 1.00 0.00 C ATOM 839 C HIS A 57 11.138 -9.459 19.135 1.00 0.00 C ATOM 840 O HIS A 57 10.420 -10.212 19.800 1.00 0.00 O ATOM 841 CB HIS A 57 11.257 -7.071 19.917 1.00 0.00 C ATOM 842 CG HIS A 57 9.870 -7.172 20.480 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.584 -7.241 21.824 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.674 -7.206 19.840 1.00 0.00 C ATOM 845 CE1 HIS A 57 8.252 -7.314 21.959 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.655 -7.297 20.782 1.00 0.00 N ATOM 0 H HIS A 57 13.384 -7.293 18.706 1.00 0.00 H new ATOM 0 HA HIS A 57 12.229 -8.761 20.829 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.838 -6.387 20.536 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.200 -6.630 18.922 1.00 0.00 H new ATOM 0 HD1 HIS A 57 10.265 -7.237 22.583 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.535 -7.168 18.770 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.736 -7.378 22.906 1.00 0.00 H new ATOM 854 N PHE A 58 11.207 -9.512 17.809 1.00 0.00 N ATOM 855 CA PHE A 58 10.435 -10.483 17.046 1.00 0.00 C ATOM 856 C PHE A 58 10.873 -11.900 17.382 1.00 0.00 C ATOM 857 O PHE A 58 10.042 -12.773 17.604 1.00 0.00 O ATOM 858 CB PHE A 58 10.574 -10.237 15.542 1.00 0.00 C ATOM 859 CG PHE A 58 9.994 -11.342 14.699 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.672 -11.725 14.840 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.778 -11.999 13.769 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.143 -12.744 14.072 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.255 -13.017 12.996 1.00 0.00 C ATOM 864 CZ PHE A 58 8.936 -13.391 13.148 1.00 0.00 C ATOM 0 H PHE A 58 11.789 -8.895 17.242 1.00 0.00 H new ATOM 0 HA PHE A 58 9.387 -10.363 17.320 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.081 -9.299 15.288 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.629 -10.119 15.297 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.045 -11.220 15.560 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.812 -11.713 13.645 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.110 -13.034 14.195 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.879 -13.520 12.272 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.526 -14.188 12.545 1.00 0.00 H new ATOM 874 N HIS A 59 12.178 -12.118 17.439 1.00 0.00 N ATOM 875 CA HIS A 59 12.711 -13.442 17.725 1.00 0.00 C ATOM 876 C HIS A 59 12.319 -13.882 19.136 1.00 0.00 C ATOM 877 O HIS A 59 12.212 -15.073 19.418 1.00 0.00 O ATOM 878 CB HIS A 59 14.235 -13.455 17.565 1.00 0.00 C ATOM 879 CG HIS A 59 14.829 -14.833 17.577 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.349 -15.422 18.708 1.00 0.00 N ATOM 881 CD2 HIS A 59 14.977 -15.739 16.582 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.794 -16.629 18.409 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.579 -16.846 17.126 1.00 0.00 N ATOM 0 H HIS A 59 12.886 -11.398 17.292 1.00 0.00 H new ATOM 0 HA HIS A 59 12.284 -14.146 17.011 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.498 -12.963 16.628 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.681 -12.869 18.369 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.677 -15.614 15.552 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.256 -17.321 19.098 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.821 -17.698 16.620 1.00 0.00 H new ATOM 892 N ALA A 60 12.102 -12.910 20.013 1.00 0.00 N ATOM 893 CA ALA A 60 11.747 -13.193 21.396 1.00 0.00 C ATOM 894 C ALA A 60 10.251 -13.465 21.559 1.00 0.00 C ATOM 895 O ALA A 60 9.856 -14.524 22.044 1.00 0.00 O ATOM 896 CB ALA A 60 12.173 -12.040 22.292 1.00 0.00 C ATOM 0 H ALA A 60 12.166 -11.917 19.789 1.00 0.00 H new ATOM 0 HA ALA A 60 12.278 -14.098 21.693 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.903 -12.262 23.324 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.252 -11.903 22.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.670 -11.127 21.974 1.00 0.00 H new ATOM 902 N THR A 61 9.422 -12.515 21.142 1.00 0.00 N ATOM 903 CA THR A 61 7.983 -12.601 21.389 1.00 0.00 C ATOM 904 C THR A 61 7.231 -13.273 20.244 1.00 0.00 C ATOM 905 O THR A 61 6.120 -13.766 20.432 1.00 0.00 O ATOM 906 CB THR A 61 7.371 -11.208 21.624 1.00 0.00 C ATOM 907 OG1 THR A 61 7.799 -10.305 20.594 1.00 0.00 O ATOM 908 CG2 THR A 61 7.756 -10.658 22.989 1.00 0.00 C ATOM 0 H THR A 61 9.716 -11.681 20.634 1.00 0.00 H new ATOM 0 HA THR A 61 7.874 -13.212 22.285 1.00 0.00 H new ATOM 0 HB THR A 61 6.286 -11.306 21.593 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.778 -10.306 20.544 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.308 -9.673 23.124 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.395 -11.331 23.767 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.841 -10.575 23.055 1.00 0.00 H new ATOM 916 N GLY A 62 7.827 -13.286 19.062 1.00 0.00 N ATOM 917 CA GLY A 62 7.149 -13.830 17.901 1.00 0.00 C ATOM 918 C GLY A 62 6.083 -12.888 17.372 1.00 0.00 C ATOM 919 O GLY A 62 4.990 -13.318 17.001 1.00 0.00 O ATOM 0 H GLY A 62 8.766 -12.931 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.878 -14.030 17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.692 -14.785 18.162 1.00 0.00 H new ATOM 923 N HIS A 63 6.400 -11.598 17.350 1.00 0.00 N ATOM 924 CA HIS A 63 5.470 -10.580 16.868 1.00 0.00 C ATOM 925 C HIS A 63 5.957 -10.042 15.523 1.00 0.00 C ATOM 926 O HIS A 63 6.876 -9.226 15.472 1.00 0.00 O ATOM 927 CB HIS A 63 5.344 -9.438 17.887 1.00 0.00 C ATOM 928 CG HIS A 63 4.729 -9.838 19.203 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.616 -8.939 20.239 1.00 0.00 N ATOM 930 CD2 HIS A 63 4.192 -11.022 19.591 1.00 0.00 C ATOM 931 CE1 HIS A 63 4.018 -9.582 21.218 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.743 -10.847 20.876 1.00 0.00 N ATOM 0 H HIS A 63 7.299 -11.230 17.662 1.00 0.00 H new ATOM 0 HA HIS A 63 4.485 -11.030 16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.335 -9.025 18.075 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.744 -8.641 17.448 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.130 -11.926 19.003 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.779 -9.145 22.176 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.286 -11.548 21.460 1.00 0.00 H new ATOM 940 N PRO A 64 5.349 -10.504 14.418 1.00 0.00 N ATOM 941 CA PRO A 64 5.889 -10.304 13.068 1.00 0.00 C ATOM 942 C PRO A 64 5.591 -8.940 12.440 1.00 0.00 C ATOM 943 O PRO A 64 6.154 -8.615 11.393 1.00 0.00 O ATOM 944 CB PRO A 64 5.194 -11.403 12.269 1.00 0.00 C ATOM 945 CG PRO A 64 3.872 -11.577 12.936 1.00 0.00 C ATOM 946 CD PRO A 64 4.089 -11.274 14.397 1.00 0.00 C ATOM 0 HA PRO A 64 6.978 -10.341 13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.076 -11.118 11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.770 -12.328 12.284 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.129 -10.905 12.506 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.500 -12.593 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.262 -10.698 14.812 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.169 -12.187 14.987 1.00 0.00 H new ATOM 954 N ILE A 65 4.714 -8.148 13.046 1.00 0.00 N ATOM 955 CA ILE A 65 4.331 -6.872 12.446 1.00 0.00 C ATOM 956 C ILE A 65 4.599 -5.691 13.372 1.00 0.00 C ATOM 957 O ILE A 65 4.165 -5.665 14.529 1.00 0.00 O ATOM 958 CB ILE A 65 2.846 -6.853 12.011 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.608 -7.881 10.901 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.437 -5.457 11.543 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.191 -7.889 10.369 1.00 0.00 C ATOM 0 H ILE A 65 4.261 -8.359 13.935 1.00 0.00 H new ATOM 0 HA ILE A 65 4.958 -6.768 11.560 1.00 0.00 H new ATOM 0 HB ILE A 65 2.231 -7.117 12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.294 -7.679 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.849 -8.874 11.280 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.389 -5.467 11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.574 -4.746 12.357 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.055 -5.162 10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.100 -8.642 9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.500 -8.122 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.951 -6.908 9.958 1.00 0.00 H new ATOM 973 N ILE A 66 5.320 -4.717 12.841 1.00 0.00 N ATOM 974 CA ILE A 66 5.571 -3.465 13.534 1.00 0.00 C ATOM 975 C ILE A 66 5.201 -2.290 12.637 1.00 0.00 C ATOM 976 O ILE A 66 5.412 -2.332 11.429 1.00 0.00 O ATOM 977 CB ILE A 66 7.045 -3.330 13.968 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.976 -3.492 12.764 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.376 -4.351 15.043 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.433 -3.279 13.096 1.00 0.00 C ATOM 0 H ILE A 66 5.748 -4.773 11.917 1.00 0.00 H new ATOM 0 HA ILE A 66 4.953 -3.461 14.432 1.00 0.00 H new ATOM 0 HB ILE A 66 7.194 -2.333 14.383 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.849 -4.492 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.681 -2.785 11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.420 -4.243 15.339 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.735 -4.188 15.909 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.211 -5.356 14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.034 -3.409 12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.574 -2.270 13.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.744 -4.004 13.848 1.00 0.00 H new ATOM 992 N GLU A 67 4.652 -1.251 13.229 1.00 0.00 N ATOM 993 CA GLU A 67 4.183 -0.098 12.479 1.00 0.00 C ATOM 994 C GLU A 67 5.191 1.044 12.560 1.00 0.00 C ATOM 995 O GLU A 67 5.862 1.213 13.578 1.00 0.00 O ATOM 996 CB GLU A 67 2.841 0.354 13.047 1.00 0.00 C ATOM 997 CG GLU A 67 2.199 1.503 12.297 1.00 0.00 C ATOM 998 CD GLU A 67 1.063 2.116 13.078 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.129 1.377 13.453 1.00 0.00 O ATOM 1000 OE2 GLU A 67 1.109 3.328 13.346 1.00 0.00 O ATOM 0 H GLU A 67 4.517 -1.178 14.237 1.00 0.00 H new ATOM 0 HA GLU A 67 4.067 -0.378 11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.155 -0.493 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.981 0.648 14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.950 2.265 12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.829 1.148 11.335 1.00 0.00 H new ATOM 1007 N GLY A 68 5.306 1.815 11.489 1.00 0.00 N ATOM 1008 CA GLY A 68 6.147 2.994 11.517 1.00 0.00 C ATOM 1009 C GLY A 68 5.498 4.105 12.313 1.00 0.00 C ATOM 1010 O GLY A 68 4.629 4.810 11.808 1.00 0.00 O ATOM 0 H GLY A 68 4.832 1.646 10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.114 2.745 11.955 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.336 3.334 10.499 1.00 0.00 H new ATOM 1014 N TYR A 69 5.935 4.263 13.554 1.00 0.00 N ATOM 1015 CA TYR A 69 5.302 5.192 14.480 1.00 0.00 C ATOM 1016 C TYR A 69 5.826 6.606 14.262 1.00 0.00 C ATOM 1017 O TYR A 69 5.070 7.576 14.314 1.00 0.00 O ATOM 1018 CB TYR A 69 5.557 4.734 15.921 1.00 0.00 C ATOM 1019 CG TYR A 69 4.680 5.407 16.956 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.349 5.698 16.685 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.182 5.740 18.208 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.544 6.304 17.631 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.382 6.343 19.161 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.065 6.623 18.868 1.00 0.00 C ATOM 1025 OH TYR A 69 2.262 7.224 19.813 1.00 0.00 O ATOM 0 H TYR A 69 6.730 3.757 13.945 1.00 0.00 H new ATOM 0 HA TYR A 69 4.228 5.202 14.297 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.405 3.656 15.979 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.601 4.922 16.170 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.936 5.447 15.719 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.214 5.524 18.441 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.512 6.527 17.403 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.787 6.593 20.130 1.00 0.00 H new ATOM 0 HH TYR A 69 1.323 7.137 19.547 1.00 0.00 H new ATOM 1035 N ASP A 70 7.123 6.717 14.008 1.00 0.00 N ATOM 1036 CA ASP A 70 7.736 8.016 13.744 1.00 0.00 C ATOM 1037 C ASP A 70 7.436 8.509 12.324 1.00 0.00 C ATOM 1038 O ASP A 70 6.961 9.633 12.162 1.00 0.00 O ATOM 1039 CB ASP A 70 9.248 7.984 13.988 1.00 0.00 C ATOM 1040 CG ASP A 70 9.935 9.247 13.503 1.00 0.00 C ATOM 1041 OD1 ASP A 70 9.730 10.315 14.116 1.00 0.00 O ATOM 1042 OD2 ASP A 70 10.680 9.171 12.502 1.00 0.00 O ATOM 0 H ASP A 70 7.770 5.929 13.979 1.00 0.00 H new ATOM 0 HA ASP A 70 7.291 8.721 14.446 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.439 7.855 15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.678 7.121 13.480 1.00 0.00 H new ATOM 1047 N PRO A 71 7.704 7.699 11.270 1.00 0.00 N ATOM 1048 CA PRO A 71 7.428 8.113 9.890 1.00 0.00 C ATOM 1049 C PRO A 71 5.953 8.429 9.674 1.00 0.00 C ATOM 1050 O PRO A 71 5.091 7.566 9.855 1.00 0.00 O ATOM 1051 CB PRO A 71 7.843 6.901 9.047 1.00 0.00 C ATOM 1052 CG PRO A 71 8.773 6.133 9.916 1.00 0.00 C ATOM 1053 CD PRO A 71 8.286 6.345 11.318 1.00 0.00 C ATOM 0 HA PRO A 71 7.965 9.025 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.978 6.300 8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.331 7.211 8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.768 5.075 9.656 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.798 6.485 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.546 5.598 11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.099 6.281 12.041 1.00 0.00 H new ATOM 1061 N PRO A 72 5.644 9.677 9.287 1.00 0.00 N ATOM 1062 CA PRO A 72 4.267 10.127 9.043 1.00 0.00 C ATOM 1063 C PRO A 72 3.622 9.429 7.846 1.00 0.00 C ATOM 1064 O PRO A 72 2.459 9.678 7.524 1.00 0.00 O ATOM 1065 CB PRO A 72 4.416 11.630 8.767 1.00 0.00 C ATOM 1066 CG PRO A 72 5.774 11.991 9.267 1.00 0.00 C ATOM 1067 CD PRO A 72 6.613 10.763 9.083 1.00 0.00 C ATOM 0 HA PRO A 72 3.618 9.898 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.319 11.846 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.643 12.202 9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.185 12.833 8.710 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.739 12.288 10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.062 10.724 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.429 10.718 9.804 1.00 0.00 H new ATOM 1075 N GLU A 73 4.389 8.565 7.189 1.00 0.00 N ATOM 1076 CA GLU A 73 3.889 7.780 6.067 1.00 0.00 C ATOM 1077 C GLU A 73 2.757 6.863 6.514 1.00 0.00 C ATOM 1078 O GLU A 73 1.737 6.736 5.835 1.00 0.00 O ATOM 1079 CB GLU A 73 5.008 6.926 5.476 1.00 0.00 C ATOM 1080 CG GLU A 73 6.234 7.707 5.046 1.00 0.00 C ATOM 1081 CD GLU A 73 7.339 6.799 4.550 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.323 6.435 3.356 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.225 6.436 5.353 1.00 0.00 O ATOM 0 H GLU A 73 5.368 8.390 7.417 1.00 0.00 H new ATOM 0 HA GLU A 73 3.518 8.474 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.307 6.181 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.618 6.383 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.959 8.408 4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.600 8.298 5.885 1.00 0.00 H new ATOM 1090 N GLY A 74 2.951 6.225 7.664 1.00 0.00 N ATOM 1091 CA GLY A 74 1.980 5.269 8.157 1.00 0.00 C ATOM 1092 C GLY A 74 2.064 3.946 7.423 1.00 0.00 C ATOM 1093 O GLY A 74 1.275 3.679 6.519 1.00 0.00 O ATOM 0 H GLY A 74 3.766 6.354 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.142 5.104 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.977 5.681 8.048 1.00 0.00 H new ATOM 1097 N TRP A 75 3.027 3.122 7.799 1.00 0.00 N ATOM 1098 CA TRP A 75 3.199 1.819 7.173 1.00 0.00 C ATOM 1099 C TRP A 75 3.513 0.752 8.209 1.00 0.00 C ATOM 1100 O TRP A 75 3.851 1.062 9.351 1.00 0.00 O ATOM 1101 CB TRP A 75 4.299 1.859 6.100 1.00 0.00 C ATOM 1102 CG TRP A 75 5.571 2.538 6.528 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.971 3.793 6.179 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.610 2.005 7.365 1.00 0.00 C ATOM 1105 NE1 TRP A 75 7.188 4.079 6.744 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.602 2.999 7.478 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.798 0.789 8.031 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.762 2.812 8.228 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.949 0.606 8.774 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.917 1.613 8.868 1.00 0.00 C ATOM 0 H TRP A 75 3.702 3.331 8.534 1.00 0.00 H new ATOM 0 HA TRP A 75 2.257 1.562 6.688 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.532 0.837 5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.910 2.369 5.219 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.410 4.466 5.548 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.701 4.954 6.635 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.056 0.007 7.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.512 3.586 8.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.104 -0.330 9.291 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.805 1.440 9.458 1.00 0.00 H new ATOM 1121 N GLY A 76 3.398 -0.499 7.801 1.00 0.00 N ATOM 1122 CA GLY A 76 3.700 -1.604 8.680 1.00 0.00 C ATOM 1123 C GLY A 76 4.721 -2.541 8.075 1.00 0.00 C ATOM 1124 O GLY A 76 4.645 -2.879 6.892 1.00 0.00 O ATOM 0 H GLY A 76 3.097 -0.771 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.076 -1.221 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.785 -2.155 8.898 1.00 0.00 H new ATOM 1128 N TRP A 77 5.676 -2.957 8.886 1.00 0.00 N ATOM 1129 CA TRP A 77 6.726 -3.853 8.444 1.00 0.00 C ATOM 1130 C TRP A 77 6.470 -5.252 8.979 1.00 0.00 C ATOM 1131 O TRP A 77 6.170 -5.430 10.160 1.00 0.00 O ATOM 1132 CB TRP A 77 8.089 -3.338 8.919 1.00 0.00 C ATOM 1133 CG TRP A 77 9.227 -4.267 8.619 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.877 -5.079 9.505 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.848 -4.482 7.347 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.864 -5.784 8.861 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.867 -5.435 7.536 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.641 -3.962 6.067 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.674 -5.878 6.491 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.444 -4.400 5.033 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.449 -5.350 5.250 1.00 0.00 C ATOM 0 H TRP A 77 5.745 -2.684 9.866 1.00 0.00 H new ATOM 0 HA TRP A 77 6.730 -3.891 7.355 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.286 -2.374 8.450 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.047 -3.166 9.995 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.648 -5.155 10.558 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.493 -6.458 9.298 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.867 -3.230 5.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.449 -6.612 6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.294 -4.003 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.060 -5.673 4.420 1.00 0.00 H new ATOM 1152 N CYS A 78 6.570 -6.240 8.108 1.00 0.00 N ATOM 1153 CA CYS A 78 6.384 -7.621 8.512 1.00 0.00 C ATOM 1154 C CYS A 78 7.688 -8.383 8.334 1.00 0.00 C ATOM 1155 O CYS A 78 8.181 -8.515 7.218 1.00 0.00 O ATOM 1156 CB CYS A 78 5.277 -8.269 7.687 1.00 0.00 C ATOM 1157 SG CYS A 78 4.462 -9.678 8.505 1.00 0.00 S ATOM 0 H CYS A 78 6.779 -6.112 7.118 1.00 0.00 H new ATOM 0 HA CYS A 78 6.093 -7.650 9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.525 -7.515 7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.696 -8.607 6.739 1.00 0.00 H new ATOM 1162 N TYR A 79 8.233 -8.882 9.438 1.00 0.00 N ATOM 1163 CA TYR A 79 9.559 -9.503 9.444 1.00 0.00 C ATOM 1164 C TYR A 79 9.667 -10.685 8.482 1.00 0.00 C ATOM 1165 O TYR A 79 10.383 -10.610 7.487 1.00 0.00 O ATOM 1166 CB TYR A 79 9.925 -9.953 10.856 1.00 0.00 C ATOM 1167 CG TYR A 79 10.136 -8.809 11.818 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.308 -8.067 11.788 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.171 -8.475 12.758 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.513 -7.025 12.667 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.368 -7.432 13.641 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.541 -6.711 13.590 1.00 0.00 C ATOM 1173 OH TYR A 79 10.749 -5.677 14.468 1.00 0.00 O ATOM 0 H TYR A 79 7.775 -8.870 10.349 1.00 0.00 H new ATOM 0 HA TYR A 79 10.261 -8.743 9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.135 -10.598 11.239 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.834 -10.553 10.813 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.072 -8.310 11.064 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.251 -9.040 12.799 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.431 -6.458 12.632 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.608 -7.183 14.367 1.00 0.00 H new ATOM 0 HH TYR A 79 11.018 -6.037 15.339 1.00 0.00 H new ATOM 1183 N VAL A 80 8.951 -11.766 8.776 1.00 0.00 N ATOM 1184 CA VAL A 80 9.053 -12.997 7.987 1.00 0.00 C ATOM 1185 C VAL A 80 8.602 -12.800 6.539 1.00 0.00 C ATOM 1186 O VAL A 80 8.963 -13.579 5.657 1.00 0.00 O ATOM 1187 CB VAL A 80 8.247 -14.152 8.621 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.932 -14.649 9.883 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.819 -13.720 8.925 1.00 0.00 C ATOM 0 H VAL A 80 8.293 -11.818 9.554 1.00 0.00 H new ATOM 0 HA VAL A 80 10.111 -13.261 7.985 1.00 0.00 H new ATOM 0 HB VAL A 80 8.207 -14.970 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.350 -15.463 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.931 -15.008 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.006 -13.833 10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.274 -14.552 9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.833 -12.881 9.621 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.326 -13.417 8.001 1.00 0.00 H new ATOM 1199 N ASP A 81 7.808 -11.770 6.298 1.00 0.00 N ATOM 1200 CA ASP A 81 7.329 -11.475 4.951 1.00 0.00 C ATOM 1201 C ASP A 81 8.352 -10.626 4.211 1.00 0.00 C ATOM 1202 O ASP A 81 8.521 -10.754 3.001 1.00 0.00 O ATOM 1203 CB ASP A 81 6.000 -10.711 4.983 1.00 0.00 C ATOM 1204 CG ASP A 81 4.887 -11.421 5.730 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.134 -11.943 6.830 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.730 -11.393 5.259 1.00 0.00 O ATOM 0 H ASP A 81 7.480 -11.123 7.015 1.00 0.00 H new ATOM 0 HA ASP A 81 7.180 -12.427 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.166 -9.737 5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.675 -10.529 3.959 1.00 0.00 H new ATOM 1211 N GLU A 82 9.016 -9.748 4.965 1.00 0.00 N ATOM 1212 CA GLU A 82 9.965 -8.779 4.417 1.00 0.00 C ATOM 1213 C GLU A 82 9.257 -7.793 3.503 1.00 0.00 C ATOM 1214 O GLU A 82 9.861 -7.222 2.595 1.00 0.00 O ATOM 1215 CB GLU A 82 11.115 -9.458 3.671 1.00 0.00 C ATOM 1216 CG GLU A 82 12.179 -10.039 4.585 1.00 0.00 C ATOM 1217 CD GLU A 82 13.432 -10.419 3.828 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.203 -9.511 3.451 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.647 -11.625 3.587 1.00 0.00 O ATOM 0 H GLU A 82 8.910 -9.689 5.978 1.00 0.00 H new ATOM 0 HA GLU A 82 10.394 -8.239 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.711 -10.255 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.580 -8.734 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.429 -9.312 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.781 -10.918 5.091 1.00 0.00 H new ATOM 1226 N VAL A 83 7.978 -7.580 3.764 1.00 0.00 N ATOM 1227 CA VAL A 83 7.192 -6.640 2.989 1.00 0.00 C ATOM 1228 C VAL A 83 6.750 -5.470 3.858 1.00 0.00 C ATOM 1229 O VAL A 83 6.443 -5.639 5.045 1.00 0.00 O ATOM 1230 CB VAL A 83 5.951 -7.304 2.344 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.364 -8.452 1.435 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.963 -7.784 3.403 1.00 0.00 C ATOM 0 H VAL A 83 7.462 -8.048 4.509 1.00 0.00 H new ATOM 0 HA VAL A 83 7.834 -6.279 2.185 1.00 0.00 H new ATOM 0 HB VAL A 83 5.449 -6.549 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.476 -8.904 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.012 -8.075 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.901 -9.201 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.104 -8.245 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.449 -8.515 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.630 -6.936 4.001 1.00 0.00 H new ATOM 1242 N MET A 84 6.752 -4.285 3.269 1.00 0.00 N ATOM 1243 CA MET A 84 6.277 -3.089 3.944 1.00 0.00 C ATOM 1244 C MET A 84 4.954 -2.655 3.331 1.00 0.00 C ATOM 1245 O MET A 84 4.900 -2.263 2.166 1.00 0.00 O ATOM 1246 CB MET A 84 7.312 -1.967 3.832 1.00 0.00 C ATOM 1247 CG MET A 84 6.904 -0.680 4.535 1.00 0.00 C ATOM 1248 SD MET A 84 8.163 0.607 4.411 1.00 0.00 S ATOM 1249 CE MET A 84 9.536 -0.180 5.250 1.00 0.00 C ATOM 0 H MET A 84 7.080 -4.126 2.317 1.00 0.00 H new ATOM 0 HA MET A 84 6.127 -3.308 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.257 -2.314 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.489 -1.753 2.778 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.972 -0.314 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.708 -0.891 5.586 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.232 0.581 5.602 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.163 -0.752 6.100 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.049 -0.849 4.559 1.00 0.00 H new ATOM 1259 N PHE A 85 3.891 -2.745 4.108 1.00 0.00 N ATOM 1260 CA PHE A 85 2.559 -2.431 3.612 1.00 0.00 C ATOM 1261 C PHE A 85 2.033 -1.156 4.249 1.00 0.00 C ATOM 1262 O PHE A 85 2.423 -0.807 5.360 1.00 0.00 O ATOM 1263 CB PHE A 85 1.600 -3.601 3.861 1.00 0.00 C ATOM 1264 CG PHE A 85 1.600 -4.125 5.272 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.473 -5.134 5.649 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.721 -3.619 6.216 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.472 -5.624 6.940 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.715 -4.107 7.508 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.592 -5.109 7.871 1.00 0.00 C ATOM 0 H PHE A 85 3.921 -3.033 5.086 1.00 0.00 H new ATOM 0 HA PHE A 85 2.625 -2.268 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.589 -3.285 3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.860 -4.416 3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.162 -5.542 4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.033 -2.834 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.159 -6.409 7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.024 -3.705 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.590 -5.490 8.882 1.00 0.00 H new ATOM 1279 N ASP A 86 1.157 -0.458 3.539 1.00 0.00 N ATOM 1280 CA ASP A 86 0.616 0.807 4.028 1.00 0.00 C ATOM 1281 C ASP A 86 -0.395 0.576 5.143 1.00 0.00 C ATOM 1282 O ASP A 86 -1.257 -0.301 5.047 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.041 1.598 2.892 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.549 2.955 3.349 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.693 3.038 3.843 1.00 0.00 O ATOM 1286 OD2 ASP A 86 0.192 3.949 3.215 1.00 0.00 O ATOM 0 H ASP A 86 0.805 -0.744 2.625 1.00 0.00 H new ATOM 0 HA ASP A 86 1.450 1.386 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.679 1.736 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.871 1.021 2.484 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.275 1.368 6.197 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.194 1.312 7.325 1.00 0.00 C ATOM 1293 C LEU A 87 -1.676 2.710 7.680 1.00 0.00 C ATOM 1294 O LEU A 87 -2.157 2.936 8.781 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.516 0.690 8.551 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.390 -0.833 8.542 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.340 -1.310 9.788 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.765 -1.480 8.455 1.00 0.00 C ATOM 0 H LEU A 87 0.461 2.067 6.295 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.043 0.693 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.482 1.117 8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.075 0.984 9.440 1.00 0.00 H new ATOM 0 HG LEU A 87 0.187 -1.127 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.422 -2.397 9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.337 -0.871 9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.216 -1.005 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.657 -2.565 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.364 -1.179 9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.260 -1.160 7.538 1.00 0.00 H new ATOM 1310 N SER A 88 -1.577 3.636 6.732 1.00 0.00 N ATOM 1311 CA SER A 88 -1.842 5.050 7.001 1.00 0.00 C ATOM 1312 C SER A 88 -3.269 5.278 7.504 1.00 0.00 C ATOM 1313 O SER A 88 -3.516 6.155 8.332 1.00 0.00 O ATOM 1314 CB SER A 88 -1.586 5.878 5.740 1.00 0.00 C ATOM 1315 OG SER A 88 -2.372 5.414 4.654 1.00 0.00 O ATOM 0 H SER A 88 -1.315 3.435 5.767 1.00 0.00 H new ATOM 0 HA SER A 88 -1.163 5.371 7.791 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.815 6.925 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.530 5.827 5.476 1.00 0.00 H new ATOM 0 HG SER A 88 -2.126 4.489 4.444 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.201 4.477 7.010 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.601 4.593 7.407 1.00 0.00 C ATOM 1323 C ASP A 89 -5.834 3.937 8.767 1.00 0.00 C ATOM 1324 O ASP A 89 -6.795 4.248 9.467 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.499 3.940 6.349 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.980 4.106 6.639 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.550 5.147 6.253 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -8.587 3.188 7.236 1.00 0.00 O ATOM 0 H ASP A 89 -4.015 3.738 6.332 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.851 5.651 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.275 4.373 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.264 2.877 6.287 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.923 3.054 9.151 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.107 2.224 10.335 1.00 0.00 C ATOM 1335 C ARG A 90 -3.960 2.415 11.324 1.00 0.00 C ATOM 1336 O ARG A 90 -3.714 1.547 12.162 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.149 0.748 9.929 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.112 0.421 8.799 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.967 -1.033 8.384 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.876 -1.415 7.306 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.513 -2.586 7.265 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.381 -3.443 8.271 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.276 -2.898 6.226 1.00 0.00 N ATOM 0 H ARG A 90 -4.045 2.893 8.658 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.043 2.521 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.146 0.439 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.421 0.154 10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.136 0.614 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.916 1.071 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.940 -1.213 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.150 -1.671 9.248 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.031 -0.753 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.794 -3.204 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.866 -4.340 8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.378 -2.241 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.761 -3.795 6.200 1.00 0.00 H new ATOM 1357 N MET A 91 -3.271 3.545 11.239 1.00 0.00 N ATOM 1358 CA MET A 91 -2.031 3.727 11.988 1.00 0.00 C ATOM 1359 C MET A 91 -2.289 4.193 13.415 1.00 0.00 C ATOM 1360 O MET A 91 -3.398 4.607 13.764 1.00 0.00 O ATOM 1361 CB MET A 91 -1.089 4.700 11.269 1.00 0.00 C ATOM 1362 CG MET A 91 -1.626 6.113 11.135 1.00 0.00 C ATOM 1363 SD MET A 91 -0.480 7.204 10.268 1.00 0.00 S ATOM 1364 CE MET A 91 0.930 7.157 11.374 1.00 0.00 C ATOM 0 H MET A 91 -3.544 4.343 10.666 1.00 0.00 H new ATOM 0 HA MET A 91 -1.548 2.752 12.042 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.142 4.734 11.808 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.875 4.310 10.274 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.576 6.089 10.600 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.829 6.517 12.127 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.567 8.022 11.189 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.583 7.176 12.407 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.499 6.244 11.200 1.00 0.00 H new ATOM 1374 N THR A 92 -1.249 4.126 14.226 1.00 0.00 N ATOM 1375 CA THR A 92 -1.341 4.418 15.642 1.00 0.00 C ATOM 1376 C THR A 92 -1.155 5.909 15.919 1.00 0.00 C ATOM 1377 O THR A 92 -0.185 6.521 15.467 1.00 0.00 O ATOM 1378 CB THR A 92 -0.281 3.611 16.416 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.384 2.222 16.066 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.454 3.773 17.920 1.00 0.00 C ATOM 0 H THR A 92 -0.312 3.866 13.918 1.00 0.00 H new ATOM 0 HA THR A 92 -2.338 4.132 15.977 1.00 0.00 H new ATOM 0 HB THR A 92 0.704 3.991 16.143 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.300 2.122 15.095 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.308 3.192 18.439 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.352 4.825 18.187 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.442 3.418 18.213 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.099 6.513 16.657 1.00 0.00 N ATOM 1389 CA PRO A 93 -2.012 7.916 17.061 1.00 0.00 C ATOM 1390 C PRO A 93 -0.860 8.158 18.031 1.00 0.00 C ATOM 1391 O PRO A 93 -0.638 7.377 18.963 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.355 8.187 17.757 1.00 0.00 C ATOM 1393 CG PRO A 93 -4.239 7.046 17.382 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.330 5.877 17.148 1.00 0.00 C ATOM 0 HA PRO A 93 -1.825 8.570 16.209 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.231 8.248 18.838 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.781 9.136 17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.955 6.831 18.175 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.815 7.277 16.486 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.155 5.311 18.063 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.745 5.182 16.418 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.123 9.236 17.810 1.00 0.00 N ATOM 1403 CA HIS A 94 0.968 9.598 18.699 1.00 0.00 C ATOM 1404 C HIS A 94 0.411 10.265 19.949 1.00 0.00 C ATOM 1405 O HIS A 94 -0.399 11.185 19.862 1.00 0.00 O ATOM 1406 CB HIS A 94 2.003 10.494 17.994 1.00 0.00 C ATOM 1407 CG HIS A 94 1.453 11.749 17.382 1.00 0.00 C ATOM 1408 ND1 HIS A 94 0.878 11.786 16.130 1.00 0.00 N ATOM 1409 CD2 HIS A 94 1.415 13.021 17.847 1.00 0.00 C ATOM 1410 CE1 HIS A 94 0.513 13.023 15.852 1.00 0.00 C ATOM 1411 NE2 HIS A 94 0.828 13.794 16.876 1.00 0.00 N ATOM 0 H HIS A 94 -0.261 9.873 17.025 1.00 0.00 H new ATOM 0 HA HIS A 94 1.492 8.689 18.992 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.773 10.768 18.715 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.491 9.912 17.212 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.779 13.364 18.804 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.036 13.350 14.940 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.663 14.799 16.936 1.00 0.00 H new ATOM 1420 N ASN A 95 0.838 9.785 21.112 1.00 0.00 N ATOM 1421 CA ASN A 95 0.275 10.239 22.386 1.00 0.00 C ATOM 1422 C ASN A 95 0.874 11.574 22.819 1.00 0.00 C ATOM 1423 O ASN A 95 0.597 12.067 23.912 1.00 0.00 O ATOM 1424 CB ASN A 95 0.481 9.178 23.480 1.00 0.00 C ATOM 1425 CG ASN A 95 1.944 8.911 23.796 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.528 9.546 24.673 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.543 7.959 23.089 1.00 0.00 N ATOM 0 H ASN A 95 1.571 9.082 21.203 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.795 10.386 22.239 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.026 9.501 24.389 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.009 8.247 23.166 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.522 7.732 23.265 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.024 7.455 22.370 1.00 0.00 H new ATOM 1434 N GLY A 96 1.679 12.159 21.950 1.00 0.00 N ATOM 1435 CA GLY A 96 2.274 13.448 22.222 1.00 0.00 C ATOM 1436 C GLY A 96 3.341 13.776 21.207 1.00 0.00 C ATOM 1437 O GLY A 96 3.650 12.937 20.360 1.00 0.00 O ATOM 0 H GLY A 96 1.934 11.757 21.048 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.503 14.219 22.207 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.706 13.449 23.223 1.00 0.00 H new ATOM 1441 N PRO A 97 3.903 14.993 21.242 1.00 0.00 N ATOM 1442 CA PRO A 97 5.015 15.375 20.368 1.00 0.00 C ATOM 1443 C PRO A 97 6.243 14.508 20.618 1.00 0.00 C ATOM 1444 O PRO A 97 6.887 14.606 21.665 1.00 0.00 O ATOM 1445 CB PRO A 97 5.301 16.833 20.746 1.00 0.00 C ATOM 1446 CG PRO A 97 4.066 17.304 21.435 1.00 0.00 C ATOM 1447 CD PRO A 97 3.492 16.098 22.120 1.00 0.00 C ATOM 0 HA PRO A 97 4.771 15.248 19.313 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.170 16.908 21.400 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.514 17.435 19.863 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.296 18.090 22.155 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.356 17.723 20.722 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.887 15.980 23.129 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.407 16.162 22.208 1.00 0.00 H new ATOM 1455 N ILE A 98 6.551 13.651 19.661 1.00 0.00 N ATOM 1456 CA ILE A 98 7.649 12.709 19.803 1.00 0.00 C ATOM 1457 C ILE A 98 8.992 13.372 19.509 1.00 0.00 C ATOM 1458 O ILE A 98 9.142 14.070 18.506 1.00 0.00 O ATOM 1459 CB ILE A 98 7.457 11.496 18.869 1.00 0.00 C ATOM 1460 CG1 ILE A 98 6.194 10.726 19.267 1.00 0.00 C ATOM 1461 CG2 ILE A 98 8.678 10.590 18.909 1.00 0.00 C ATOM 1462 CD1 ILE A 98 5.922 9.512 18.408 1.00 0.00 C ATOM 0 H ILE A 98 6.054 13.587 18.773 1.00 0.00 H new ATOM 0 HA ILE A 98 7.649 12.367 20.838 1.00 0.00 H new ATOM 0 HB ILE A 98 7.339 11.854 17.846 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.285 10.411 20.306 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.338 11.398 19.211 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.523 9.741 18.244 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.556 11.149 18.585 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.831 10.231 19.927 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.012 9.020 18.751 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.798 9.821 17.370 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.760 8.819 18.482 1.00 0.00 H new ATOM 1474 N PRO A 99 9.978 13.180 20.400 1.00 0.00 N ATOM 1475 CA PRO A 99 11.338 13.678 20.197 1.00 0.00 C ATOM 1476 C PRO A 99 12.053 12.943 19.066 1.00 0.00 C ATOM 1477 O PRO A 99 12.418 11.776 19.202 1.00 0.00 O ATOM 1478 CB PRO A 99 12.043 13.404 21.535 1.00 0.00 C ATOM 1479 CG PRO A 99 10.956 13.065 22.500 1.00 0.00 C ATOM 1480 CD PRO A 99 9.844 12.477 21.683 1.00 0.00 C ATOM 0 HA PRO A 99 11.341 14.731 19.914 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.755 12.584 21.442 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.605 14.277 21.868 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.307 12.355 23.249 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.619 13.953 23.035 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.953 11.399 21.567 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.870 12.651 22.140 1.00 0.00 H new ATOM 1488 N ARG A 100 12.235 13.625 17.949 1.00 0.00 N ATOM 1489 CA ARG A 100 12.931 13.052 16.809 1.00 0.00 C ATOM 1490 C ARG A 100 14.336 13.641 16.733 1.00 0.00 C ATOM 1491 O ARG A 100 14.508 14.831 16.471 1.00 0.00 O ATOM 1492 CB ARG A 100 12.134 13.312 15.526 1.00 0.00 C ATOM 1493 CG ARG A 100 12.640 12.543 14.317 1.00 0.00 C ATOM 1494 CD ARG A 100 13.455 13.429 13.395 1.00 0.00 C ATOM 1495 NE ARG A 100 12.639 14.481 12.787 1.00 0.00 N ATOM 1496 CZ ARG A 100 13.054 15.271 11.796 1.00 0.00 C ATOM 1497 NH1 ARG A 100 14.257 15.108 11.263 1.00 0.00 N ATOM 1498 NH2 ARG A 100 12.255 16.217 11.325 1.00 0.00 N ATOM 0 H ARG A 100 11.909 14.581 17.806 1.00 0.00 H new ATOM 0 HA ARG A 100 13.019 11.972 16.926 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.090 13.050 15.700 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.162 14.379 15.303 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.250 11.703 14.648 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.794 12.127 13.769 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.272 13.882 13.956 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.905 12.820 12.611 1.00 0.00 H new ATOM 0 HE ARG A 100 11.693 14.619 13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.874 14.374 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.566 15.717 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.323 16.341 11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.572 16.822 10.567 1.00 0.00 H new ATOM 1512 N TYR A 101 15.332 12.802 16.991 1.00 0.00 N ATOM 1513 CA TYR A 101 16.712 13.259 17.128 1.00 0.00 C ATOM 1514 C TYR A 101 17.406 13.396 15.780 1.00 0.00 C ATOM 1515 O TYR A 101 18.356 14.168 15.641 1.00 0.00 O ATOM 1516 CB TYR A 101 17.507 12.290 18.008 1.00 0.00 C ATOM 1517 CG TYR A 101 16.996 12.180 19.428 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.468 13.027 20.424 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.050 11.226 19.774 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.010 12.924 21.723 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.586 11.119 21.070 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.069 11.969 22.041 1.00 0.00 C ATOM 1523 OH TYR A 101 15.611 11.861 23.336 1.00 0.00 O ATOM 0 H TYR A 101 15.210 11.796 17.110 1.00 0.00 H new ATOM 0 HA TYR A 101 16.678 14.244 17.594 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.488 11.301 17.549 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.549 12.610 18.032 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.205 13.778 20.178 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.670 10.556 19.017 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.388 13.589 22.486 1.00 0.00 H new ATOM 0 HE2 TYR A 101 14.848 10.372 21.322 1.00 0.00 H new ATOM 0 HH TYR A 101 14.950 11.139 23.390 1.00 0.00 H new ATOM 1533 N VAL A 102 16.947 12.644 14.794 1.00 0.00 N ATOM 1534 CA VAL A 102 17.595 12.633 13.492 1.00 0.00 C ATOM 1535 C VAL A 102 16.999 13.688 12.560 1.00 0.00 C ATOM 1536 O VAL A 102 16.171 13.336 11.698 1.00 0.00 O ATOM 1537 CB VAL A 102 17.523 11.233 12.836 1.00 0.00 C ATOM 1538 CG1 VAL A 102 18.497 10.285 13.514 1.00 0.00 C ATOM 1539 CG2 VAL A 102 16.111 10.664 12.904 1.00 0.00 C ATOM 1540 OXT VAL A 102 17.358 14.877 12.697 1.00 0.00 O ATOM 0 H VAL A 102 16.132 12.035 14.869 1.00 0.00 H new ATOM 0 HA VAL A 102 18.644 12.879 13.656 1.00 0.00 H new ATOM 0 HB VAL A 102 17.797 11.340 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 102 18.437 9.304 13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 102 19.511 10.673 13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.243 10.197 14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 102 16.092 9.680 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.804 10.575 13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.425 11.329 12.379 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.087 -11.008 7.136 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.605 -7.124 20.414 1.00 0.00 ZN