USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 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 21 CYS SG : rot 54:sc= 1.44 USER MOD Set 1.2: A 24 CYS SG : rot 93:sc= 1.66 USER MOD Set 1.3: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 42 HIS : no HE2:sc= -1.75 K(o=1,f=-3.7!) USER MOD Set 1.5: A 45 CYS SG : rot -140:sc= -0.19! USER MOD Set 1.6: A 49 SER OG : rot 131:sc= 0.308 USER MOD Set 1.7: A 51 HIS :FLIP no HD1:sc= -0.22 F(o=-0.49!,f=1) USER MOD Set 1.8: A 53 HIS : no HD1:sc= -0.226 K(o=1,f=-0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.31 (180deg=0.185) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : A 3 MET CE :methyl 155:sc= -0.188 (180deg=-0.932) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 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 26 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.13) USER MOD Single : A 33 HIS : no HE2:sc= -0.763 K(o=-0.76,f=-5.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -119:sc= 1.62 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 159:sc= -2.29! USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -83:sc= 1.24 USER MOD Single : A 69 TYR OH : rot 130:sc= -0.141 USER MOD Single : A 79 TYR OH : rot -143:sc= -0.174 USER MOD Single : A 84 MET CE :methyl -162:sc= -0.122 (180deg=-0.659) USER MOD Single : A 88 SER OG : rot -50:sc= 0.791 USER MOD Single : A 91 MET CE :methyl -157:sc= -0.2 (180deg=-0.915) USER MOD Single : A 92 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 94 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 95 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.56) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.111 0.125 -1.508 1.00 0.00 N ATOM 2 CA MET A 1 4.277 -0.779 -0.679 1.00 0.00 C ATOM 3 C MET A 1 3.641 -1.864 -1.540 1.00 0.00 C ATOM 4 O MET A 1 3.621 -1.763 -2.769 1.00 0.00 O ATOM 5 CB MET A 1 3.184 0.003 0.069 1.00 0.00 C ATOM 6 CG MET A 1 2.143 0.662 -0.830 1.00 0.00 C ATOM 7 SD MET A 1 2.808 2.035 -1.792 1.00 0.00 S ATOM 8 CE MET A 1 1.343 2.568 -2.675 1.00 0.00 C ATOM 0 H1 MET A 1 6.031 0.269 -1.046 1.00 0.00 H new ATOM 0 H2 MET A 1 5.257 -0.300 -2.446 1.00 0.00 H new ATOM 0 H3 MET A 1 4.630 1.041 -1.615 1.00 0.00 H new ATOM 0 HA MET A 1 4.930 -1.248 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.675 -0.675 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.659 0.773 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.733 -0.085 -1.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.317 1.022 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.592 3.414 -3.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.968 1.748 -3.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.576 2.867 -1.960 1.00 0.00 H new ATOM 20 N THR A 2 3.129 -2.900 -0.892 1.00 0.00 N ATOM 21 CA THR A 2 2.494 -4.005 -1.589 1.00 0.00 C ATOM 22 C THR A 2 1.206 -4.421 -0.868 1.00 0.00 C ATOM 23 O THR A 2 0.805 -3.789 0.113 1.00 0.00 O ATOM 24 CB THR A 2 3.461 -5.210 -1.703 1.00 0.00 C ATOM 25 OG1 THR A 2 2.919 -6.215 -2.573 1.00 0.00 O ATOM 26 CG2 THR A 2 3.746 -5.819 -0.335 1.00 0.00 C ATOM 0 H THR A 2 3.142 -2.997 0.123 1.00 0.00 H new ATOM 0 HA THR A 2 2.240 -3.674 -2.596 1.00 0.00 H new ATOM 0 HB THR A 2 4.397 -4.840 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.544 -6.967 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.427 -6.662 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.202 -5.068 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.813 -6.163 0.112 1.00 0.00 H new ATOM 34 N MET A 3 0.567 -5.474 -1.368 1.00 0.00 N ATOM 35 CA MET A 3 -0.669 -5.991 -0.791 1.00 0.00 C ATOM 36 C MET A 3 -0.408 -6.622 0.575 1.00 0.00 C ATOM 37 O MET A 3 0.670 -7.170 0.822 1.00 0.00 O ATOM 38 CB MET A 3 -1.291 -7.028 -1.734 1.00 0.00 C ATOM 39 CG MET A 3 -2.635 -7.564 -1.265 1.00 0.00 C ATOM 40 SD MET A 3 -3.244 -8.917 -2.292 1.00 0.00 S ATOM 41 CE MET A 3 -1.970 -10.146 -2.013 1.00 0.00 C ATOM 0 H MET A 3 0.891 -5.993 -2.184 1.00 0.00 H new ATOM 0 HA MET A 3 -1.362 -5.160 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.414 -6.580 -2.720 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.599 -7.862 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.544 -7.908 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.365 -6.755 -1.268 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.380 -11.141 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.140 -9.972 -2.698 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.613 -10.074 -0.986 1.00 0.00 H new ATOM 51 N GLY A 4 -1.396 -6.538 1.457 1.00 0.00 N ATOM 52 CA GLY A 4 -1.269 -7.114 2.779 1.00 0.00 C ATOM 53 C GLY A 4 -1.267 -8.633 2.761 1.00 0.00 C ATOM 54 O GLY A 4 -1.757 -9.259 1.819 1.00 0.00 O ATOM 0 H GLY A 4 -2.288 -6.078 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.346 -6.759 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.091 -6.764 3.404 1.00 0.00 H new ATOM 58 N CYS A 5 -0.709 -9.221 3.808 1.00 0.00 N ATOM 59 CA CYS A 5 -0.632 -10.669 3.928 1.00 0.00 C ATOM 60 C CYS A 5 -1.642 -11.167 4.960 1.00 0.00 C ATOM 61 O CYS A 5 -2.301 -10.366 5.619 1.00 0.00 O ATOM 62 CB CYS A 5 0.783 -11.085 4.330 1.00 0.00 C ATOM 63 SG CYS A 5 1.307 -10.435 5.951 1.00 0.00 S ATOM 0 H CYS A 5 -0.300 -8.713 4.592 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.870 -11.116 2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.840 -12.173 4.349 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.483 -10.743 3.568 1.00 0.00 H new ATOM 68 N ARG A 6 -1.742 -12.486 5.117 1.00 0.00 N ATOM 69 CA ARG A 6 -2.671 -13.089 6.079 1.00 0.00 C ATOM 70 C ARG A 6 -2.445 -12.567 7.502 1.00 0.00 C ATOM 71 O ARG A 6 -3.372 -12.513 8.308 1.00 0.00 O ATOM 72 CB ARG A 6 -2.544 -14.616 6.058 1.00 0.00 C ATOM 73 CG ARG A 6 -1.112 -15.119 6.182 1.00 0.00 C ATOM 74 CD ARG A 6 -1.060 -16.632 6.321 1.00 0.00 C ATOM 75 NE ARG A 6 -1.510 -17.075 7.640 1.00 0.00 N ATOM 76 CZ ARG A 6 -2.397 -18.045 7.845 1.00 0.00 C ATOM 77 NH1 ARG A 6 -2.970 -18.669 6.824 1.00 0.00 N ATOM 78 NH2 ARG A 6 -2.709 -18.395 9.084 1.00 0.00 N ATOM 0 H ARG A 6 -1.190 -13.162 4.589 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.679 -12.803 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.136 -15.031 6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.972 -14.993 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.541 -14.814 5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.637 -14.657 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.684 -17.089 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.040 -16.977 6.151 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.117 -16.609 8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.732 -18.407 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.648 -19.411 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.270 -17.922 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.388 -19.138 9.248 1.00 0.00 H new ATOM 92 N HIS A 7 -1.213 -12.172 7.800 1.00 0.00 N ATOM 93 CA HIS A 7 -0.865 -11.680 9.131 1.00 0.00 C ATOM 94 C HIS A 7 -1.558 -10.351 9.433 1.00 0.00 C ATOM 95 O HIS A 7 -1.786 -10.013 10.593 1.00 0.00 O ATOM 96 CB HIS A 7 0.652 -11.526 9.271 1.00 0.00 C ATOM 97 CG HIS A 7 1.405 -12.812 9.125 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.448 -12.937 8.243 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.233 -13.992 9.770 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.888 -14.174 8.368 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.182 -14.854 9.281 1.00 0.00 N ATOM 0 H HIS A 7 -0.437 -12.182 7.139 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.213 -12.417 9.855 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.007 -10.820 8.520 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.876 -11.093 10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.491 -14.211 10.524 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.713 -14.586 7.806 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.323 -15.825 9.559 1.00 0.00 H new ATOM 109 N VAL A 8 -1.896 -9.602 8.386 1.00 0.00 N ATOM 110 CA VAL A 8 -2.554 -8.306 8.551 1.00 0.00 C ATOM 111 C VAL A 8 -3.938 -8.495 9.140 1.00 0.00 C ATOM 112 O VAL A 8 -4.441 -7.645 9.868 1.00 0.00 O ATOM 113 CB VAL A 8 -2.689 -7.551 7.215 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.182 -6.128 7.430 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.376 -7.558 6.476 1.00 0.00 C ATOM 0 H VAL A 8 -1.726 -9.868 7.416 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.930 -7.716 9.222 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.433 -8.067 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.266 -5.623 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.158 -6.150 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.475 -5.590 8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.486 -7.021 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.614 -7.071 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.077 -8.587 6.275 1.00 0.00 H new ATOM 125 N ALA A 9 -4.544 -9.628 8.838 1.00 0.00 N ATOM 126 CA ALA A 9 -5.882 -9.900 9.310 1.00 0.00 C ATOM 127 C ALA A 9 -5.888 -10.138 10.820 1.00 0.00 C ATOM 128 O ALA A 9 -6.941 -10.118 11.461 1.00 0.00 O ATOM 129 CB ALA A 9 -6.476 -11.091 8.574 1.00 0.00 C ATOM 0 H ALA A 9 -4.131 -10.369 8.271 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.501 -9.027 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.484 -11.281 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.515 -10.876 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.855 -11.971 8.745 1.00 0.00 H new ATOM 135 N GLY A 10 -4.702 -10.345 11.385 1.00 0.00 N ATOM 136 CA GLY A 10 -4.590 -10.617 12.802 1.00 0.00 C ATOM 137 C GLY A 10 -4.119 -9.415 13.601 1.00 0.00 C ATOM 138 O GLY A 10 -4.155 -9.436 14.831 1.00 0.00 O ATOM 0 H GLY A 10 -3.815 -10.328 10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.559 -10.942 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.895 -11.443 12.954 1.00 0.00 H new ATOM 142 N ILE A 11 -3.688 -8.363 12.914 1.00 0.00 N ATOM 143 CA ILE A 11 -3.199 -7.167 13.594 1.00 0.00 C ATOM 144 C ILE A 11 -4.340 -6.204 13.890 1.00 0.00 C ATOM 145 O ILE A 11 -5.377 -6.224 13.225 1.00 0.00 O ATOM 146 CB ILE A 11 -2.094 -6.431 12.804 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.610 -5.953 11.445 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.884 -7.337 12.637 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.619 -5.102 10.679 1.00 0.00 C ATOM 0 H ILE A 11 -3.667 -8.312 11.895 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.758 -7.513 14.529 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.796 -5.548 13.369 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.872 -6.821 10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.526 -5.381 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.110 -6.811 12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.499 -7.615 13.618 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.175 -8.236 12.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.057 -4.802 9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.375 -4.214 11.262 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.711 -5.677 10.496 1.00 0.00 H new ATOM 161 N ARG A 12 -4.152 -5.384 14.908 1.00 0.00 N ATOM 162 CA ARG A 12 -5.193 -4.480 15.371 1.00 0.00 C ATOM 163 C ARG A 12 -4.661 -3.056 15.496 1.00 0.00 C ATOM 164 O ARG A 12 -3.466 -2.807 15.309 1.00 0.00 O ATOM 165 CB ARG A 12 -5.722 -4.964 16.723 1.00 0.00 C ATOM 166 CG ARG A 12 -4.633 -5.112 17.774 1.00 0.00 C ATOM 167 CD ARG A 12 -5.151 -5.769 19.041 1.00 0.00 C ATOM 168 NE ARG A 12 -4.092 -5.941 20.037 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.063 -6.926 20.934 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.007 -7.858 20.933 1.00 0.00 N ATOM 171 NH2 ARG A 12 -3.072 -6.990 21.815 1.00 0.00 N ATOM 0 H ARG A 12 -3.281 -5.325 15.435 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.003 -4.475 14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.474 -4.262 17.084 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.221 -5.924 16.588 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.814 -5.705 17.367 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.226 -4.130 18.015 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.952 -5.162 19.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.581 -6.740 18.797 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.329 -5.265 20.045 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.758 -7.822 20.244 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.981 -8.610 21.621 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.334 -6.286 21.805 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.048 -7.743 22.502 1.00 0.00 H new ATOM 185 N THR A 13 -5.552 -2.124 15.797 1.00 0.00 N ATOM 186 CA THR A 13 -5.163 -0.751 16.064 1.00 0.00 C ATOM 187 C THR A 13 -4.775 -0.615 17.533 1.00 0.00 C ATOM 188 O THR A 13 -5.625 -0.691 18.422 1.00 0.00 O ATOM 189 CB THR A 13 -6.309 0.222 15.730 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.882 -0.128 14.461 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.809 1.659 15.684 1.00 0.00 C ATOM 0 H THR A 13 -6.555 -2.297 15.862 1.00 0.00 H new ATOM 0 HA THR A 13 -4.311 -0.498 15.432 1.00 0.00 H new ATOM 0 HB THR A 13 -7.064 0.145 16.512 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.612 0.491 14.250 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.638 2.325 15.446 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.392 1.930 16.654 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.038 1.752 14.919 1.00 0.00 H new ATOM 199 N VAL A 14 -3.491 -0.441 17.788 1.00 0.00 N ATOM 200 CA VAL A 14 -2.980 -0.491 19.147 1.00 0.00 C ATOM 201 C VAL A 14 -2.777 0.891 19.741 1.00 0.00 C ATOM 202 O VAL A 14 -2.798 1.901 19.037 1.00 0.00 O ATOM 203 CB VAL A 14 -1.652 -1.266 19.215 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.871 -2.718 18.840 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.610 -0.631 18.306 1.00 0.00 C ATOM 0 H VAL A 14 -2.784 -0.264 17.074 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.738 -1.010 19.734 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.281 -1.223 20.239 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.923 -3.254 18.892 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.582 -3.169 19.532 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.265 -2.776 17.825 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.321 -1.195 18.370 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.970 -0.641 17.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.433 0.398 18.619 1.00 0.00 H new ATOM 215 N THR A 15 -2.587 0.914 21.047 1.00 0.00 N ATOM 216 CA THR A 15 -2.284 2.134 21.760 1.00 0.00 C ATOM 217 C THR A 15 -0.823 2.108 22.199 1.00 0.00 C ATOM 218 O THR A 15 -0.392 1.179 22.887 1.00 0.00 O ATOM 219 CB THR A 15 -3.205 2.301 22.984 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.577 2.238 22.567 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.949 3.626 23.693 1.00 0.00 C ATOM 0 H THR A 15 -2.639 0.086 21.640 1.00 0.00 H new ATOM 0 HA THR A 15 -2.453 2.982 21.097 1.00 0.00 H new ATOM 0 HB THR A 15 -2.990 1.493 23.683 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.161 2.343 23.347 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.614 3.714 24.552 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.913 3.664 24.031 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.136 4.450 23.004 1.00 0.00 H new ATOM 229 N PRO A 16 -0.039 3.106 21.772 1.00 0.00 N ATOM 230 CA PRO A 16 1.396 3.172 22.067 1.00 0.00 C ATOM 231 C PRO A 16 1.690 3.213 23.563 1.00 0.00 C ATOM 232 O PRO A 16 1.198 4.084 24.285 1.00 0.00 O ATOM 233 CB PRO A 16 1.846 4.473 21.397 1.00 0.00 C ATOM 234 CG PRO A 16 0.794 4.771 20.387 1.00 0.00 C ATOM 235 CD PRO A 16 -0.487 4.248 20.962 1.00 0.00 C ATOM 0 HA PRO A 16 1.919 2.288 21.703 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.935 5.281 22.124 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.823 4.357 20.927 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.728 5.842 20.196 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.020 4.291 19.435 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.995 4.999 21.568 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.185 3.942 20.183 1.00 0.00 H new ATOM 243 N SER A 17 2.492 2.259 24.018 1.00 0.00 N ATOM 244 CA SER A 17 2.892 2.184 25.416 1.00 0.00 C ATOM 245 C SER A 17 3.723 3.408 25.803 1.00 0.00 C ATOM 246 O SER A 17 3.651 3.894 26.935 1.00 0.00 O ATOM 247 CB SER A 17 3.688 0.897 25.661 1.00 0.00 C ATOM 248 OG SER A 17 4.024 0.743 27.029 1.00 0.00 O ATOM 0 H SER A 17 2.881 1.520 23.432 1.00 0.00 H new ATOM 0 HA SER A 17 1.997 2.170 26.038 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.103 0.039 25.331 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.598 0.912 25.062 1.00 0.00 H new ATOM 0 HG SER A 17 4.529 -0.088 27.150 1.00 0.00 H new ATOM 254 N ALA A 18 4.492 3.914 24.850 1.00 0.00 N ATOM 255 CA ALA A 18 5.344 5.067 25.083 1.00 0.00 C ATOM 256 C ALA A 18 5.334 5.986 23.871 1.00 0.00 C ATOM 257 O ALA A 18 4.852 5.604 22.804 1.00 0.00 O ATOM 258 CB ALA A 18 6.764 4.617 25.393 1.00 0.00 C ATOM 0 H ALA A 18 4.542 3.540 23.902 1.00 0.00 H new ATOM 0 HA ALA A 18 4.957 5.619 25.940 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.393 5.490 25.566 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.761 3.990 26.285 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.157 4.048 24.551 1.00 0.00 H new ATOM 264 N LEU A 19 5.846 7.197 24.045 1.00 0.00 N ATOM 265 CA LEU A 19 5.988 8.134 22.936 1.00 0.00 C ATOM 266 C LEU A 19 7.080 7.653 21.990 1.00 0.00 C ATOM 267 O LEU A 19 6.923 7.670 20.773 1.00 0.00 O ATOM 268 CB LEU A 19 6.327 9.540 23.447 1.00 0.00 C ATOM 269 CG LEU A 19 5.138 10.398 23.900 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.392 9.754 25.058 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.614 11.789 24.288 1.00 0.00 C ATOM 0 H LEU A 19 6.170 7.555 24.943 1.00 0.00 H new ATOM 0 HA LEU A 19 5.038 8.181 22.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.019 9.443 24.284 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.855 10.074 22.657 1.00 0.00 H new ATOM 0 HG LEU A 19 4.445 10.477 23.063 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.557 10.390 25.352 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.015 8.779 24.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.069 9.631 25.903 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.762 12.389 24.608 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.332 11.713 25.105 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.090 12.263 23.430 1.00 0.00 H new ATOM 283 N GLY A 20 8.186 7.223 22.572 1.00 0.00 N ATOM 284 CA GLY A 20 9.283 6.695 21.793 1.00 0.00 C ATOM 285 C GLY A 20 9.777 5.381 22.354 1.00 0.00 C ATOM 286 O GLY A 20 9.020 4.651 22.992 1.00 0.00 O ATOM 0 H GLY A 20 8.344 7.231 23.580 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.963 6.554 20.761 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.100 7.416 21.778 1.00 0.00 H new ATOM 290 N CYS A 21 11.045 5.078 22.129 1.00 0.00 N ATOM 291 CA CYS A 21 11.634 3.861 22.659 1.00 0.00 C ATOM 292 C CYS A 21 11.982 4.060 24.131 1.00 0.00 C ATOM 293 O CYS A 21 13.027 4.625 24.463 1.00 0.00 O ATOM 294 CB CYS A 21 12.879 3.479 21.854 1.00 0.00 C ATOM 295 SG CYS A 21 13.618 1.895 22.318 1.00 0.00 S ATOM 0 H CYS A 21 11.684 5.657 21.584 1.00 0.00 H new ATOM 0 HA CYS A 21 10.914 3.047 22.575 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.616 3.447 20.797 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.627 4.263 21.973 1.00 0.00 H new ATOM 0 HG CYS A 21 12.714 0.962 22.265 1.00 0.00 H new ATOM 301 N GLU A 22 11.093 3.603 25.007 1.00 0.00 N ATOM 302 CA GLU A 22 11.237 3.825 26.443 1.00 0.00 C ATOM 303 C GLU A 22 12.501 3.162 26.984 1.00 0.00 C ATOM 304 O GLU A 22 13.108 3.648 27.937 1.00 0.00 O ATOM 305 CB GLU A 22 10.000 3.318 27.198 1.00 0.00 C ATOM 306 CG GLU A 22 9.896 1.801 27.313 1.00 0.00 C ATOM 307 CD GLU A 22 9.713 1.102 25.982 1.00 0.00 C ATOM 308 OE1 GLU A 22 8.599 1.155 25.430 1.00 0.00 O ATOM 309 OE2 GLU A 22 10.681 0.475 25.492 1.00 0.00 O ATOM 0 H GLU A 22 10.261 3.074 24.746 1.00 0.00 H new ATOM 0 HA GLU A 22 11.326 4.899 26.604 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.004 3.745 28.201 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.107 3.692 26.696 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.797 1.419 27.793 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.058 1.551 27.963 1.00 0.00 H new ATOM 316 N GLU A 23 12.899 2.059 26.363 1.00 0.00 N ATOM 317 CA GLU A 23 14.107 1.355 26.761 1.00 0.00 C ATOM 318 C GLU A 23 15.324 2.255 26.564 1.00 0.00 C ATOM 319 O GLU A 23 16.215 2.313 27.404 1.00 0.00 O ATOM 320 CB GLU A 23 14.266 0.074 25.945 1.00 0.00 C ATOM 321 CG GLU A 23 14.964 -1.041 26.700 1.00 0.00 C ATOM 322 CD GLU A 23 14.111 -1.600 27.821 1.00 0.00 C ATOM 323 OE1 GLU A 23 14.158 -1.062 28.944 1.00 0.00 O ATOM 324 OE2 GLU A 23 13.380 -2.584 27.577 1.00 0.00 O ATOM 0 H GLU A 23 12.401 1.634 25.581 1.00 0.00 H new ATOM 0 HA GLU A 23 14.028 1.091 27.815 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.281 -0.272 25.631 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.830 0.297 25.039 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.219 -1.842 26.006 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.901 -0.666 27.112 1.00 0.00 H new ATOM 331 N CYS A 24 15.343 2.978 25.456 1.00 0.00 N ATOM 332 CA CYS A 24 16.422 3.912 25.180 1.00 0.00 C ATOM 333 C CYS A 24 16.381 5.085 26.156 1.00 0.00 C ATOM 334 O CYS A 24 17.415 5.650 26.506 1.00 0.00 O ATOM 335 CB CYS A 24 16.336 4.416 23.740 1.00 0.00 C ATOM 336 SG CYS A 24 16.677 3.150 22.494 1.00 0.00 S ATOM 0 H CYS A 24 14.624 2.936 24.734 1.00 0.00 H new ATOM 0 HA CYS A 24 17.369 3.389 25.310 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.339 4.822 23.567 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.041 5.237 23.611 1.00 0.00 H new ATOM 0 HG CYS A 24 15.561 2.601 22.116 1.00 0.00 H new ATOM 342 N LEU A 25 15.182 5.425 26.613 1.00 0.00 N ATOM 343 CA LEU A 25 14.997 6.542 27.534 1.00 0.00 C ATOM 344 C LEU A 25 15.595 6.251 28.909 1.00 0.00 C ATOM 345 O LEU A 25 15.871 7.175 29.673 1.00 0.00 O ATOM 346 CB LEU A 25 13.509 6.873 27.678 1.00 0.00 C ATOM 347 CG LEU A 25 12.848 7.464 26.432 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.353 7.633 26.650 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.488 8.799 26.079 1.00 0.00 C ATOM 0 H LEU A 25 14.320 4.942 26.360 1.00 0.00 H new ATOM 0 HA LEU A 25 15.523 7.399 27.113 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.976 5.963 27.955 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.388 7.576 28.502 1.00 0.00 H new ATOM 0 HG LEU A 25 12.998 6.775 25.601 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.900 8.055 25.753 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.904 6.662 26.861 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.182 8.303 27.492 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.008 9.209 25.190 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.365 9.493 26.911 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.550 8.653 25.883 1.00 0.00 H new ATOM 361 N LYS A 26 15.815 4.976 29.220 1.00 0.00 N ATOM 362 CA LYS A 26 16.321 4.597 30.537 1.00 0.00 C ATOM 363 C LYS A 26 17.817 4.886 30.644 1.00 0.00 C ATOM 364 O LYS A 26 18.378 4.922 31.741 1.00 0.00 O ATOM 365 CB LYS A 26 16.044 3.112 30.814 1.00 0.00 C ATOM 366 CG LYS A 26 17.093 2.166 30.248 1.00 0.00 C ATOM 367 CD LYS A 26 16.574 0.742 30.141 1.00 0.00 C ATOM 368 CE LYS A 26 16.056 0.221 31.469 1.00 0.00 C ATOM 369 NZ LYS A 26 15.460 -1.132 31.326 1.00 0.00 N ATOM 0 H LYS A 26 15.653 4.194 28.585 1.00 0.00 H new ATOM 0 HA LYS A 26 15.800 5.193 31.286 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.978 2.961 31.891 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.072 2.851 30.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.402 2.515 29.263 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.978 2.183 30.884 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.775 0.703 29.400 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.372 0.092 29.784 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.872 0.186 32.191 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.309 0.909 31.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.996 -1.403 32.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.758 -1.123 30.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.208 -1.819 31.103 1.00 0.00 H new ATOM 383 N ILE A 27 18.461 5.085 29.498 1.00 0.00 N ATOM 384 CA ILE A 27 19.896 5.350 29.461 1.00 0.00 C ATOM 385 C ILE A 27 20.211 6.614 28.665 1.00 0.00 C ATOM 386 O ILE A 27 21.371 7.013 28.555 1.00 0.00 O ATOM 387 CB ILE A 27 20.677 4.164 28.850 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.109 3.796 27.474 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.645 2.963 29.785 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.847 2.664 26.791 1.00 0.00 C ATOM 0 H ILE A 27 18.012 5.068 28.582 1.00 0.00 H new ATOM 0 HA ILE A 27 20.211 5.490 30.495 1.00 0.00 H new ATOM 0 HB ILE A 27 21.716 4.467 28.720 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.061 3.518 27.586 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.139 4.676 26.832 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.200 2.139 29.337 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.100 3.232 30.738 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.612 2.658 29.950 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.387 2.461 25.824 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.890 2.945 26.645 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.796 1.769 27.412 1.00 0.00 H new ATOM 402 N GLY A 28 19.180 7.242 28.115 1.00 0.00 N ATOM 403 CA GLY A 28 19.383 8.420 27.292 1.00 0.00 C ATOM 404 C GLY A 28 20.001 8.077 25.949 1.00 0.00 C ATOM 405 O GLY A 28 20.962 8.709 25.518 1.00 0.00 O ATOM 0 H GLY A 28 18.207 6.957 28.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.428 8.921 27.134 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.028 9.123 27.819 1.00 0.00 H new ATOM 409 N SER A 29 19.452 7.062 25.299 1.00 0.00 N ATOM 410 CA SER A 29 19.951 6.612 24.007 1.00 0.00 C ATOM 411 C SER A 29 19.138 7.236 22.872 1.00 0.00 C ATOM 412 O SER A 29 17.950 6.946 22.714 1.00 0.00 O ATOM 413 CB SER A 29 19.893 5.081 23.929 1.00 0.00 C ATOM 414 OG SER A 29 20.342 4.599 22.673 1.00 0.00 O ATOM 0 H SER A 29 18.655 6.530 25.648 1.00 0.00 H new ATOM 0 HA SER A 29 20.988 6.931 23.900 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.506 4.653 24.722 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.870 4.747 24.102 1.00 0.00 H new ATOM 0 HG SER A 29 20.292 3.620 22.661 1.00 0.00 H new ATOM 420 N PRO A 30 19.767 8.125 22.088 1.00 0.00 N ATOM 421 CA PRO A 30 19.126 8.772 20.942 1.00 0.00 C ATOM 422 C PRO A 30 18.792 7.780 19.832 1.00 0.00 C ATOM 423 O PRO A 30 19.684 7.169 19.236 1.00 0.00 O ATOM 424 CB PRO A 30 20.173 9.782 20.452 1.00 0.00 C ATOM 425 CG PRO A 30 21.146 9.915 21.573 1.00 0.00 C ATOM 426 CD PRO A 30 21.150 8.586 22.266 1.00 0.00 C ATOM 0 HA PRO A 30 18.177 9.230 21.220 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.664 9.430 19.545 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.713 10.741 20.214 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.140 10.166 21.201 1.00 0.00 H new ATOM 0 HG3 PRO A 30 20.850 10.712 22.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.867 7.898 21.818 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.413 8.679 23.320 1.00 0.00 H new ATOM 434 N TRP A 31 17.505 7.618 19.566 1.00 0.00 N ATOM 435 CA TRP A 31 17.051 6.717 18.520 1.00 0.00 C ATOM 436 C TRP A 31 17.032 7.422 17.169 1.00 0.00 C ATOM 437 O TRP A 31 16.938 8.648 17.097 1.00 0.00 O ATOM 438 CB TRP A 31 15.658 6.161 18.849 1.00 0.00 C ATOM 439 CG TRP A 31 14.622 7.215 19.119 1.00 0.00 C ATOM 440 CD1 TRP A 31 13.997 8.014 18.202 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.074 7.568 20.395 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.110 8.852 18.833 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.136 8.595 20.177 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.289 7.120 21.701 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.415 9.179 21.215 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.571 7.700 22.729 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.644 8.719 22.480 1.00 0.00 C ATOM 0 H TRP A 31 16.755 8.100 20.062 1.00 0.00 H new ATOM 0 HA TRP A 31 17.753 5.885 18.465 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.321 5.541 18.018 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.735 5.511 19.721 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.175 7.990 17.137 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.527 9.552 18.374 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.003 6.335 21.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.701 9.967 21.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.728 7.361 23.742 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.098 9.150 23.306 1.00 0.00 H new ATOM 458 N VAL A 32 17.131 6.642 16.104 1.00 0.00 N ATOM 459 CA VAL A 32 17.069 7.186 14.757 1.00 0.00 C ATOM 460 C VAL A 32 15.627 7.173 14.257 1.00 0.00 C ATOM 461 O VAL A 32 15.092 8.194 13.837 1.00 0.00 O ATOM 462 CB VAL A 32 17.963 6.391 13.781 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.984 7.048 12.408 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.376 6.255 14.333 1.00 0.00 C ATOM 0 H VAL A 32 17.255 5.630 16.146 1.00 0.00 H new ATOM 0 HA VAL A 32 17.438 8.211 14.795 1.00 0.00 H new ATOM 0 HB VAL A 32 17.541 5.392 13.673 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.620 6.470 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.971 7.084 12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.375 8.062 12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.989 5.692 13.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.807 7.246 14.477 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.345 5.730 15.288 1.00 0.00 H new ATOM 474 N HIS A 33 15.001 6.008 14.318 1.00 0.00 N ATOM 475 CA HIS A 33 13.608 5.864 13.915 1.00 0.00 C ATOM 476 C HIS A 33 12.867 4.974 14.905 1.00 0.00 C ATOM 477 O HIS A 33 13.491 4.327 15.749 1.00 0.00 O ATOM 478 CB HIS A 33 13.500 5.298 12.490 1.00 0.00 C ATOM 479 CG HIS A 33 13.894 6.276 11.422 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.141 7.383 11.106 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.977 6.317 10.610 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.740 8.062 10.147 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.858 7.439 9.827 1.00 0.00 N ATOM 0 H HIS A 33 15.436 5.145 14.644 1.00 0.00 H new ATOM 0 HA HIS A 33 13.146 6.851 13.916 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.131 4.413 12.411 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.474 4.974 12.314 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.257 7.639 11.545 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.784 5.600 10.583 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.376 8.975 9.699 1.00 0.00 H new ATOM 492 N LEU A 34 11.546 4.938 14.798 1.00 0.00 N ATOM 493 CA LEU A 34 10.711 4.190 15.731 1.00 0.00 C ATOM 494 C LEU A 34 9.746 3.274 14.991 1.00 0.00 C ATOM 495 O LEU A 34 9.110 3.682 14.018 1.00 0.00 O ATOM 496 CB LEU A 34 9.911 5.146 16.619 1.00 0.00 C ATOM 497 CG LEU A 34 10.741 6.052 17.524 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.838 7.013 18.276 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.565 5.224 18.495 1.00 0.00 C ATOM 0 H LEU A 34 11.025 5.423 14.068 1.00 0.00 H new ATOM 0 HA LEU A 34 11.373 3.583 16.349 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.288 5.772 15.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.238 4.557 17.242 1.00 0.00 H new ATOM 0 HG LEU A 34 11.424 6.632 16.903 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.443 7.654 18.918 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.288 7.628 17.564 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.134 6.448 18.887 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.150 5.887 19.132 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.901 4.620 19.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.236 4.571 17.938 1.00 0.00 H new ATOM 511 N ARG A 35 9.638 2.042 15.462 1.00 0.00 N ATOM 512 CA ARG A 35 8.714 1.077 14.887 1.00 0.00 C ATOM 513 C ARG A 35 7.893 0.424 15.995 1.00 0.00 C ATOM 514 O ARG A 35 8.434 0.026 17.030 1.00 0.00 O ATOM 515 CB ARG A 35 9.471 0.009 14.090 1.00 0.00 C ATOM 516 CG ARG A 35 10.343 0.575 12.976 1.00 0.00 C ATOM 517 CD ARG A 35 10.966 -0.534 12.145 1.00 0.00 C ATOM 518 NE ARG A 35 11.900 -0.026 11.143 1.00 0.00 N ATOM 519 CZ ARG A 35 11.917 -0.419 9.870 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.021 -1.291 9.424 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.833 0.059 9.038 1.00 0.00 N ATOM 0 H ARG A 35 10.183 1.685 16.247 1.00 0.00 H new ATOM 0 HA ARG A 35 8.044 1.600 14.205 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.098 -0.565 14.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.751 -0.686 13.658 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.743 1.220 12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.129 1.195 13.406 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.488 -1.228 12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.177 -1.098 11.648 1.00 0.00 H new ATOM 0 HE ARG A 35 12.582 0.673 11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.314 -1.664 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.040 -1.588 8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.526 0.729 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.844 -0.243 8.064 1.00 0.00 H new ATOM 535 N ILE A 36 6.590 0.327 15.782 1.00 0.00 N ATOM 536 CA ILE A 36 5.686 -0.226 16.782 1.00 0.00 C ATOM 537 C ILE A 36 4.864 -1.371 16.188 1.00 0.00 C ATOM 538 O ILE A 36 4.413 -1.289 15.050 1.00 0.00 O ATOM 539 CB ILE A 36 4.743 0.874 17.333 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.788 0.303 18.386 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.962 1.531 16.201 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.839 1.328 18.974 1.00 0.00 C ATOM 0 H ILE A 36 6.132 0.625 14.921 1.00 0.00 H new ATOM 0 HA ILE A 36 6.287 -0.615 17.604 1.00 0.00 H new ATOM 0 HB ILE A 36 5.359 1.635 17.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.206 -0.501 17.936 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.374 -0.140 19.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.306 2.300 16.610 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.657 1.985 15.495 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.363 0.779 15.688 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.196 0.847 19.711 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.412 2.121 19.455 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.226 1.754 18.180 1.00 0.00 H new ATOM 554 N CYS A 37 4.691 -2.452 16.941 1.00 0.00 N ATOM 555 CA CYS A 37 3.864 -3.563 16.469 1.00 0.00 C ATOM 556 C CYS A 37 2.409 -3.142 16.393 1.00 0.00 C ATOM 557 O CYS A 37 1.937 -2.376 17.231 1.00 0.00 O ATOM 558 CB CYS A 37 3.904 -4.765 17.404 1.00 0.00 C ATOM 559 SG CYS A 37 5.534 -5.405 17.856 1.00 0.00 S ATOM 0 H CYS A 37 5.103 -2.585 17.865 1.00 0.00 H new ATOM 0 HA CYS A 37 4.269 -3.836 15.494 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.380 -4.497 18.321 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.340 -5.574 16.939 1.00 0.00 H new ATOM 564 N ARG A 38 1.689 -3.693 15.434 1.00 0.00 N ATOM 565 CA ARG A 38 0.244 -3.530 15.376 1.00 0.00 C ATOM 566 C ARG A 38 -0.426 -4.608 16.229 1.00 0.00 C ATOM 567 O ARG A 38 -1.500 -5.107 15.899 1.00 0.00 O ATOM 568 CB ARG A 38 -0.238 -3.622 13.928 1.00 0.00 C ATOM 569 CG ARG A 38 0.255 -2.485 13.048 1.00 0.00 C ATOM 570 CD ARG A 38 -0.295 -1.146 13.510 1.00 0.00 C ATOM 571 NE ARG A 38 -1.756 -1.132 13.519 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.491 -0.141 13.019 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.912 0.923 12.483 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.815 -0.211 13.055 1.00 0.00 N ATOM 0 H ARG A 38 2.080 -4.259 14.681 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.024 -2.548 15.767 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.094 -4.569 13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.328 -3.632 13.917 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.345 -2.457 13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.044 -2.666 12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.076 -0.927 14.511 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.072 -0.357 12.854 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.241 -1.928 13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.895 0.988 12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.484 1.677 12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.272 -1.025 13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.377 0.549 12.671 1.00 0.00 H new ATOM 588 N THR A 39 0.213 -4.942 17.347 1.00 0.00 N ATOM 589 CA THR A 39 -0.248 -6.031 18.196 1.00 0.00 C ATOM 590 C THR A 39 -0.122 -5.671 19.680 1.00 0.00 C ATOM 591 O THR A 39 -1.124 -5.491 20.369 1.00 0.00 O ATOM 592 CB THR A 39 0.555 -7.319 17.922 1.00 0.00 C ATOM 593 OG1 THR A 39 0.849 -7.425 16.523 1.00 0.00 O ATOM 594 CG2 THR A 39 -0.223 -8.546 18.368 1.00 0.00 C ATOM 0 H THR A 39 1.053 -4.472 17.685 1.00 0.00 H new ATOM 0 HA THR A 39 -1.298 -6.200 17.959 1.00 0.00 H new ATOM 0 HB THR A 39 1.484 -7.267 18.489 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.360 -8.244 16.357 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.363 -9.442 18.165 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.426 -8.480 19.437 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.165 -8.597 17.823 1.00 0.00 H new ATOM 602 N CYS A 40 1.113 -5.543 20.162 1.00 0.00 N ATOM 603 CA CYS A 40 1.351 -5.322 21.591 1.00 0.00 C ATOM 604 C CYS A 40 1.395 -3.830 21.934 1.00 0.00 C ATOM 605 O CYS A 40 1.227 -3.449 23.089 1.00 0.00 O ATOM 606 CB CYS A 40 2.652 -6.006 22.036 1.00 0.00 C ATOM 607 SG CYS A 40 4.174 -5.203 21.423 1.00 0.00 S ATOM 0 H CYS A 40 1.958 -5.588 19.592 1.00 0.00 H new ATOM 0 HA CYS A 40 0.515 -5.765 22.132 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.682 -6.030 23.125 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.639 -7.041 21.695 1.00 0.00 H new ATOM 612 N GLY A 41 1.624 -2.988 20.930 1.00 0.00 N ATOM 613 CA GLY A 41 1.652 -1.551 21.163 1.00 0.00 C ATOM 614 C GLY A 41 2.957 -1.063 21.773 1.00 0.00 C ATOM 615 O GLY A 41 3.045 0.073 22.242 1.00 0.00 O ATOM 0 H GLY A 41 1.790 -3.271 19.964 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.486 -1.034 20.218 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.828 -1.281 21.823 1.00 0.00 H new ATOM 619 N HIS A 42 3.976 -1.914 21.765 1.00 0.00 N ATOM 620 CA HIS A 42 5.278 -1.539 22.305 1.00 0.00 C ATOM 621 C HIS A 42 6.107 -0.863 21.220 1.00 0.00 C ATOM 622 O HIS A 42 6.256 -1.401 20.121 1.00 0.00 O ATOM 623 CB HIS A 42 6.019 -2.772 22.842 1.00 0.00 C ATOM 624 CG HIS A 42 7.159 -2.455 23.769 1.00 0.00 C ATOM 625 ND1 HIS A 42 7.397 -3.155 24.929 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.131 -1.516 23.697 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.461 -2.658 25.530 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.928 -1.660 24.802 1.00 0.00 N ATOM 0 H HIS A 42 3.927 -2.863 21.393 1.00 0.00 H new ATOM 0 HA HIS A 42 5.127 -0.844 23.131 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.307 -3.409 23.366 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.401 -3.347 21.999 1.00 0.00 H new ATOM 0 HD1 HIS A 42 6.838 -3.937 25.271 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.256 -0.786 22.911 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.880 -3.009 26.462 1.00 0.00 H new ATOM 637 N VAL A 43 6.633 0.313 21.535 1.00 0.00 N ATOM 638 CA VAL A 43 7.444 1.073 20.593 1.00 0.00 C ATOM 639 C VAL A 43 8.916 0.687 20.724 1.00 0.00 C ATOM 640 O VAL A 43 9.459 0.630 21.829 1.00 0.00 O ATOM 641 CB VAL A 43 7.295 2.596 20.822 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.015 3.379 19.734 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.826 2.993 20.885 1.00 0.00 C ATOM 0 H VAL A 43 6.511 0.764 22.442 1.00 0.00 H new ATOM 0 HA VAL A 43 7.090 0.834 19.590 1.00 0.00 H new ATOM 0 HB VAL A 43 7.755 2.840 21.780 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.897 4.447 19.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.075 3.125 19.743 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.590 3.127 18.762 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.746 4.068 21.047 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.337 2.730 19.947 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.342 2.466 21.707 1.00 0.00 H new ATOM 653 N GLY A 44 9.554 0.406 19.601 1.00 0.00 N ATOM 654 CA GLY A 44 10.961 0.072 19.613 1.00 0.00 C ATOM 655 C GLY A 44 11.740 0.901 18.618 1.00 0.00 C ATOM 656 O GLY A 44 11.206 1.288 17.579 1.00 0.00 O ATOM 0 H GLY A 44 9.121 0.403 18.677 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.364 0.230 20.613 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.086 -0.986 19.382 1.00 0.00 H new ATOM 660 N CYS A 45 12.994 1.189 18.929 1.00 0.00 N ATOM 661 CA CYS A 45 13.829 1.961 18.027 1.00 0.00 C ATOM 662 C CYS A 45 14.230 1.113 16.827 1.00 0.00 C ATOM 663 O CYS A 45 14.519 -0.079 16.964 1.00 0.00 O ATOM 664 CB CYS A 45 15.069 2.491 18.751 1.00 0.00 C ATOM 665 SG CYS A 45 16.177 1.210 19.379 1.00 0.00 S ATOM 0 H CYS A 45 13.452 0.901 19.794 1.00 0.00 H new ATOM 0 HA CYS A 45 13.254 2.817 17.673 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.626 3.132 18.068 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.748 3.116 19.584 1.00 0.00 H new ATOM 0 HG CYS A 45 16.624 1.558 20.549 1.00 0.00 H new ATOM 671 N CYS A 46 14.230 1.740 15.661 1.00 0.00 N ATOM 672 CA CYS A 46 14.522 1.066 14.404 1.00 0.00 C ATOM 673 C CYS A 46 15.923 0.453 14.411 1.00 0.00 C ATOM 674 O CYS A 46 16.770 0.815 15.235 1.00 0.00 O ATOM 675 CB CYS A 46 14.386 2.069 13.258 1.00 0.00 C ATOM 676 SG CYS A 46 14.510 1.353 11.607 1.00 0.00 S ATOM 0 H CYS A 46 14.027 2.734 15.559 1.00 0.00 H new ATOM 0 HA CYS A 46 13.811 0.251 14.270 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.424 2.574 13.348 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.158 2.831 13.367 1.00 0.00 H new ATOM 0 HG CYS A 46 15.519 1.881 10.980 1.00 0.00 H new ATOM 682 N ASP A 47 16.169 -0.451 13.467 1.00 0.00 N ATOM 683 CA ASP A 47 17.423 -1.195 13.412 1.00 0.00 C ATOM 684 C ASP A 47 18.579 -0.306 12.962 1.00 0.00 C ATOM 685 O ASP A 47 19.730 -0.741 12.934 1.00 0.00 O ATOM 686 CB ASP A 47 17.293 -2.408 12.483 1.00 0.00 C ATOM 687 CG ASP A 47 17.100 -2.028 11.028 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.026 -1.493 10.685 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.017 -2.278 10.216 1.00 0.00 O ATOM 0 H ASP A 47 15.511 -0.687 12.725 1.00 0.00 H new ATOM 0 HA ASP A 47 17.641 -1.547 14.420 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.187 -3.025 12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.450 -3.017 12.808 1.00 0.00 H new ATOM 694 N ASP A 48 18.266 0.939 12.606 1.00 0.00 N ATOM 695 CA ASP A 48 19.292 1.928 12.289 1.00 0.00 C ATOM 696 C ASP A 48 20.192 2.141 13.498 1.00 0.00 C ATOM 697 O ASP A 48 21.417 2.133 13.387 1.00 0.00 O ATOM 698 CB ASP A 48 18.663 3.266 11.883 1.00 0.00 C ATOM 699 CG ASP A 48 17.800 3.168 10.643 1.00 0.00 C ATOM 700 OD1 ASP A 48 18.352 3.138 9.528 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.561 3.125 10.782 1.00 0.00 O ATOM 0 H ASP A 48 17.310 1.286 12.530 1.00 0.00 H new ATOM 0 HA ASP A 48 19.878 1.552 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.059 3.642 12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.455 3.995 11.710 1.00 0.00 H new ATOM 706 N SER A 49 19.567 2.318 14.656 1.00 0.00 N ATOM 707 CA SER A 49 20.293 2.502 15.902 1.00 0.00 C ATOM 708 C SER A 49 20.788 1.156 16.426 1.00 0.00 C ATOM 709 O SER A 49 20.067 0.163 16.343 1.00 0.00 O ATOM 710 CB SER A 49 19.388 3.176 16.935 1.00 0.00 C ATOM 711 OG SER A 49 18.173 2.457 17.096 1.00 0.00 O ATOM 0 H SER A 49 18.552 2.338 14.756 1.00 0.00 H new ATOM 0 HA SER A 49 21.157 3.141 15.720 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.907 3.239 17.892 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.171 4.197 16.622 1.00 0.00 H new ATOM 0 HG SER A 49 18.006 2.307 18.050 1.00 0.00 H new ATOM 717 N PRO A 50 22.009 1.112 16.992 1.00 0.00 N ATOM 718 CA PRO A 50 22.641 -0.137 17.454 1.00 0.00 C ATOM 719 C PRO A 50 21.831 -0.854 18.532 1.00 0.00 C ATOM 720 O PRO A 50 22.014 -2.048 18.767 1.00 0.00 O ATOM 721 CB PRO A 50 23.989 0.323 18.022 1.00 0.00 C ATOM 722 CG PRO A 50 23.831 1.784 18.271 1.00 0.00 C ATOM 723 CD PRO A 50 22.876 2.278 17.225 1.00 0.00 C ATOM 0 HA PRO A 50 22.726 -0.859 16.642 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.231 -0.209 18.942 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.799 0.129 17.319 1.00 0.00 H new ATOM 0 HG2 PRO A 50 23.444 1.970 19.273 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.789 2.298 18.199 1.00 0.00 H new ATOM 0 HD2 PRO A 50 22.308 3.141 17.572 1.00 0.00 H new ATOM 0 HD3 PRO A 50 23.395 2.583 16.316 1.00 0.00 H new ATOM 731 N HIS A 51 20.937 -0.118 19.183 1.00 0.00 N ATOM 732 CA HIS A 51 20.088 -0.688 20.221 1.00 0.00 C ATOM 733 C HIS A 51 19.120 -1.701 19.606 1.00 0.00 C ATOM 734 O HIS A 51 18.803 -2.715 20.225 1.00 0.00 O ATOM 735 CB HIS A 51 19.316 0.424 20.944 1.00 0.00 C ATOM 736 CG HIS A 51 18.741 0.010 22.268 1.00 0.00 C ATOM 737 ND1 HIS A 51 17.683 -0.776 22.575 1.00 0.00 N flip ATOM 738 CD2 HIS A 51 19.261 0.426 23.469 1.00 0.00 C flip ATOM 739 CE1 HIS A 51 17.585 -0.824 23.945 1.00 0.00 C flip ATOM 740 NE2 HIS A 51 18.553 -0.085 24.457 1.00 0.00 N flip ATOM 0 H HIS A 51 20.782 0.875 19.010 1.00 0.00 H new ATOM 0 HA HIS A 51 20.715 -1.202 20.950 1.00 0.00 H new ATOM 0 HB2 HIS A 51 19.982 1.273 21.099 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.507 0.768 20.300 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.118 1.072 23.586 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.843 -1.372 24.507 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.724 0.065 25.451 1.00 0.00 H new ATOM 749 N LYS A 52 18.667 -1.398 18.382 1.00 0.00 N ATOM 750 CA LYS A 52 17.782 -2.276 17.605 1.00 0.00 C ATOM 751 C LYS A 52 16.669 -2.889 18.453 1.00 0.00 C ATOM 752 O LYS A 52 16.451 -4.101 18.435 1.00 0.00 O ATOM 753 CB LYS A 52 18.602 -3.373 16.923 1.00 0.00 C ATOM 754 CG LYS A 52 19.575 -2.833 15.889 1.00 0.00 C ATOM 755 CD LYS A 52 20.311 -3.940 15.162 1.00 0.00 C ATOM 756 CE LYS A 52 21.305 -4.644 16.065 1.00 0.00 C ATOM 757 NZ LYS A 52 22.110 -5.647 15.321 1.00 0.00 N ATOM 0 H LYS A 52 18.906 -0.531 17.900 1.00 0.00 H new ATOM 0 HA LYS A 52 17.296 -1.659 16.849 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.156 -3.928 17.680 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.925 -4.079 16.442 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.033 -2.224 15.166 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.297 -2.180 16.379 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.592 -4.664 14.779 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.834 -3.524 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.969 -3.908 16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.772 -5.136 16.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.778 -6.107 15.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.478 -6.363 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.638 -5.173 14.560 1.00 0.00 H new ATOM 771 N HIS A 53 15.941 -2.038 19.165 1.00 0.00 N ATOM 772 CA HIS A 53 14.900 -2.503 20.071 1.00 0.00 C ATOM 773 C HIS A 53 13.687 -2.998 19.289 1.00 0.00 C ATOM 774 O HIS A 53 12.833 -3.680 19.837 1.00 0.00 O ATOM 775 CB HIS A 53 14.493 -1.387 21.041 1.00 0.00 C ATOM 776 CG HIS A 53 13.668 -1.854 22.207 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.536 -1.195 22.647 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.833 -2.909 23.042 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.047 -1.824 23.700 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.813 -2.864 23.960 1.00 0.00 N ATOM 0 H HIS A 53 16.052 -1.025 19.132 1.00 0.00 H new ATOM 0 HA HIS A 53 15.298 -3.336 20.650 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.394 -0.903 21.418 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.931 -0.631 20.492 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.620 -3.647 22.994 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.167 -1.535 24.255 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.671 -3.529 24.721 1.00 0.00 H new ATOM 789 N ALA A 54 13.603 -2.625 18.018 1.00 0.00 N ATOM 790 CA ALA A 54 12.526 -3.096 17.155 1.00 0.00 C ATOM 791 C ALA A 54 12.763 -4.537 16.705 1.00 0.00 C ATOM 792 O ALA A 54 11.857 -5.372 16.761 1.00 0.00 O ATOM 793 CB ALA A 54 12.372 -2.186 15.946 1.00 0.00 C ATOM 0 H ALA A 54 14.267 -1.999 17.562 1.00 0.00 H new ATOM 0 HA ALA A 54 11.603 -3.071 17.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.564 -2.554 15.314 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.140 -1.174 16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.302 -2.177 15.377 1.00 0.00 H new ATOM 799 N THR A 55 13.983 -4.826 16.269 1.00 0.00 N ATOM 800 CA THR A 55 14.306 -6.132 15.711 1.00 0.00 C ATOM 801 C THR A 55 14.487 -7.182 16.802 1.00 0.00 C ATOM 802 O THR A 55 13.923 -8.276 16.720 1.00 0.00 O ATOM 803 CB THR A 55 15.577 -6.060 14.846 1.00 0.00 C ATOM 804 OG1 THR A 55 16.599 -5.340 15.542 1.00 0.00 O ATOM 805 CG2 THR A 55 15.292 -5.382 13.515 1.00 0.00 C ATOM 0 H THR A 55 14.766 -4.172 16.291 1.00 0.00 H new ATOM 0 HA THR A 55 13.464 -6.429 15.086 1.00 0.00 H new ATOM 0 HB THR A 55 15.914 -7.078 14.651 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.475 -5.573 15.170 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.206 -5.344 12.923 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.533 -5.947 12.974 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.932 -4.368 13.693 1.00 0.00 H new ATOM 813 N ARG A 56 15.260 -6.843 17.830 1.00 0.00 N ATOM 814 CA ARG A 56 15.489 -7.753 18.948 1.00 0.00 C ATOM 815 C ARG A 56 14.173 -8.089 19.642 1.00 0.00 C ATOM 816 O ARG A 56 13.975 -9.207 20.121 1.00 0.00 O ATOM 817 CB ARG A 56 16.482 -7.143 19.941 1.00 0.00 C ATOM 818 CG ARG A 56 17.873 -6.955 19.357 1.00 0.00 C ATOM 819 CD ARG A 56 18.840 -6.350 20.363 1.00 0.00 C ATOM 820 NE ARG A 56 20.198 -6.267 19.822 1.00 0.00 N ATOM 821 CZ ARG A 56 21.192 -5.582 20.388 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.989 -4.900 21.505 1.00 0.00 N ATOM 823 NH2 ARG A 56 22.396 -5.574 19.833 1.00 0.00 N ATOM 0 H ARG A 56 15.738 -5.946 17.912 1.00 0.00 H new ATOM 0 HA ARG A 56 15.917 -8.677 18.559 1.00 0.00 H new ATOM 0 HB2 ARG A 56 16.103 -6.178 20.278 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.547 -7.784 20.820 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.257 -7.918 19.020 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.813 -6.311 18.480 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.498 -5.354 20.644 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.846 -6.953 21.271 1.00 0.00 H new ATOM 0 HE ARG A 56 20.397 -6.766 18.955 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.066 -4.896 21.939 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.756 -4.379 21.931 1.00 0.00 H new ATOM 0 HH21 ARG A 56 22.564 -6.093 18.971 1.00 0.00 H new ATOM 0 HH22 ARG A 56 23.155 -5.049 20.268 1.00 0.00 H new ATOM 837 N HIS A 57 13.266 -7.118 19.660 1.00 0.00 N ATOM 838 CA HIS A 57 11.935 -7.312 20.220 1.00 0.00 C ATOM 839 C HIS A 57 11.177 -8.391 19.450 1.00 0.00 C ATOM 840 O HIS A 57 10.528 -9.248 20.051 1.00 0.00 O ATOM 841 CB HIS A 57 11.161 -5.989 20.199 1.00 0.00 C ATOM 842 CG HIS A 57 9.725 -6.101 20.599 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.256 -5.883 21.874 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.643 -6.401 19.849 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.928 -6.055 21.857 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.510 -6.370 20.646 1.00 0.00 N ATOM 0 H HIS A 57 13.431 -6.182 19.290 1.00 0.00 H new ATOM 0 HA HIS A 57 12.036 -7.644 21.253 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.656 -5.283 20.866 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.213 -5.569 19.195 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.819 -5.635 22.687 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.658 -6.629 18.794 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.286 -5.950 22.719 1.00 0.00 H new ATOM 854 N PHE A 58 11.252 -8.344 18.123 1.00 0.00 N ATOM 855 CA PHE A 58 10.613 -9.355 17.285 1.00 0.00 C ATOM 856 C PHE A 58 11.193 -10.731 17.579 1.00 0.00 C ATOM 857 O PHE A 58 10.458 -11.707 17.718 1.00 0.00 O ATOM 858 CB PHE A 58 10.791 -9.029 15.802 1.00 0.00 C ATOM 859 CG PHE A 58 10.474 -10.188 14.891 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.213 -10.759 14.880 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.442 -10.707 14.050 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.925 -11.825 14.049 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.162 -11.771 13.216 1.00 0.00 C ATOM 864 CZ PHE A 58 9.901 -12.332 13.217 1.00 0.00 C ATOM 0 H PHE A 58 11.748 -7.618 17.605 1.00 0.00 H new ATOM 0 HA PHE A 58 9.548 -9.357 17.516 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.149 -8.187 15.543 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.819 -8.711 15.629 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.444 -10.366 15.529 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.431 -10.274 14.046 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.937 -12.261 14.051 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.928 -12.164 12.564 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.679 -13.166 12.568 1.00 0.00 H new ATOM 874 N HIS A 59 12.512 -10.786 17.685 1.00 0.00 N ATOM 875 CA HIS A 59 13.220 -12.034 17.940 1.00 0.00 C ATOM 876 C HIS A 59 12.776 -12.659 19.264 1.00 0.00 C ATOM 877 O HIS A 59 12.819 -13.875 19.428 1.00 0.00 O ATOM 878 CB HIS A 59 14.732 -11.777 17.942 1.00 0.00 C ATOM 879 CG HIS A 59 15.568 -13.004 18.142 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.636 -14.031 17.225 1.00 0.00 N ATOM 881 CD2 HIS A 59 16.385 -13.361 19.161 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.456 -14.963 17.671 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.925 -14.581 18.842 1.00 0.00 N ATOM 0 H HIS A 59 13.120 -9.972 17.597 1.00 0.00 H new ATOM 0 HA HIS A 59 12.979 -12.741 17.146 1.00 0.00 H new ATOM 0 HB2 HIS A 59 15.011 -11.313 16.996 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.965 -11.061 18.730 1.00 0.00 H new ATOM 0 HD2 HIS A 59 16.576 -12.791 20.058 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.702 -15.884 17.163 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.583 -15.107 19.418 1.00 0.00 H new ATOM 892 N ALA A 60 12.348 -11.825 20.201 1.00 0.00 N ATOM 893 CA ALA A 60 11.887 -12.308 21.494 1.00 0.00 C ATOM 894 C ALA A 60 10.386 -12.605 21.484 1.00 0.00 C ATOM 895 O ALA A 60 9.962 -13.716 21.801 1.00 0.00 O ATOM 896 CB ALA A 60 12.219 -11.294 22.579 1.00 0.00 C ATOM 0 H ALA A 60 12.311 -10.812 20.090 1.00 0.00 H new ATOM 0 HA ALA A 60 12.406 -13.243 21.706 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.870 -11.665 23.543 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.298 -11.143 22.618 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.727 -10.347 22.355 1.00 0.00 H new ATOM 902 N THR A 61 9.591 -11.615 21.104 1.00 0.00 N ATOM 903 CA THR A 61 8.138 -11.714 21.210 1.00 0.00 C ATOM 904 C THR A 61 7.523 -12.529 20.075 1.00 0.00 C ATOM 905 O THR A 61 6.610 -13.326 20.298 1.00 0.00 O ATOM 906 CB THR A 61 7.486 -10.319 21.233 1.00 0.00 C ATOM 907 OG1 THR A 61 7.891 -9.563 20.081 1.00 0.00 O ATOM 908 CG2 THR A 61 7.864 -9.568 22.499 1.00 0.00 C ATOM 0 H THR A 61 9.926 -10.732 20.719 1.00 0.00 H new ATOM 0 HA THR A 61 7.940 -12.230 22.150 1.00 0.00 H new ATOM 0 HB THR A 61 6.404 -10.449 21.215 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.760 -9.145 20.253 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.392 -8.585 22.494 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.525 -10.129 23.370 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.947 -9.450 22.543 1.00 0.00 H new ATOM 916 N GLY A 62 8.031 -12.342 18.866 1.00 0.00 N ATOM 917 CA GLY A 62 7.442 -12.986 17.711 1.00 0.00 C ATOM 918 C GLY A 62 6.363 -12.133 17.074 1.00 0.00 C ATOM 919 O GLY A 62 5.331 -12.644 16.639 1.00 0.00 O ATOM 0 H GLY A 62 8.841 -11.756 18.664 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.220 -13.195 16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.018 -13.945 18.008 1.00 0.00 H new ATOM 923 N HIS A 63 6.593 -10.824 17.031 1.00 0.00 N ATOM 924 CA HIS A 63 5.648 -9.899 16.409 1.00 0.00 C ATOM 925 C HIS A 63 6.213 -9.392 15.089 1.00 0.00 C ATOM 926 O HIS A 63 6.986 -8.436 15.066 1.00 0.00 O ATOM 927 CB HIS A 63 5.339 -8.721 17.342 1.00 0.00 C ATOM 928 CG HIS A 63 4.668 -9.128 18.617 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.785 -8.386 19.772 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.891 -10.209 18.863 1.00 0.00 C ATOM 931 CE1 HIS A 63 4.083 -9.038 20.683 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.523 -10.146 20.179 1.00 0.00 N ATOM 0 H HIS A 63 7.425 -10.379 17.419 1.00 0.00 H new ATOM 0 HA HIS A 63 4.717 -10.433 16.219 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.268 -8.203 17.579 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.702 -8.009 16.817 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.614 -10.976 18.155 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.974 -8.717 21.708 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.936 -10.813 20.680 1.00 0.00 H new ATOM 940 N PRO A 64 5.838 -10.038 13.974 1.00 0.00 N ATOM 941 CA PRO A 64 6.455 -9.786 12.670 1.00 0.00 C ATOM 942 C PRO A 64 6.003 -8.487 12.009 1.00 0.00 C ATOM 943 O PRO A 64 6.682 -7.983 11.120 1.00 0.00 O ATOM 944 CB PRO A 64 6.006 -10.987 11.838 1.00 0.00 C ATOM 945 CG PRO A 64 4.699 -11.388 12.428 1.00 0.00 C ATOM 946 CD PRO A 64 4.787 -11.075 13.898 1.00 0.00 C ATOM 0 HA PRO A 64 7.535 -9.672 12.763 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.901 -10.723 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.731 -11.799 11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.878 -10.842 11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.508 -12.449 12.267 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.836 -10.711 14.287 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.053 -11.958 14.480 1.00 0.00 H new ATOM 954 N ILE A 65 4.863 -7.950 12.421 1.00 0.00 N ATOM 955 CA ILE A 65 4.345 -6.744 11.791 1.00 0.00 C ATOM 956 C ILE A 65 4.577 -5.515 12.655 1.00 0.00 C ATOM 957 O ILE A 65 4.107 -5.428 13.796 1.00 0.00 O ATOM 958 CB ILE A 65 2.849 -6.860 11.437 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.648 -7.973 10.407 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.324 -5.530 10.902 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.217 -8.134 9.947 1.00 0.00 C ATOM 0 H ILE A 65 4.287 -8.323 13.176 1.00 0.00 H new ATOM 0 HA ILE A 65 4.902 -6.629 10.861 1.00 0.00 H new ATOM 0 HB ILE A 65 2.287 -7.108 12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.277 -7.770 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.990 -8.916 10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.267 -5.628 10.657 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.450 -4.757 11.661 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.880 -5.253 10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.158 -8.942 9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.584 -8.370 10.803 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.876 -7.206 9.488 1.00 0.00 H new ATOM 973 N ILE A 66 5.311 -4.572 12.090 1.00 0.00 N ATOM 974 CA ILE A 66 5.631 -3.325 12.756 1.00 0.00 C ATOM 975 C ILE A 66 5.320 -2.142 11.847 1.00 0.00 C ATOM 976 O ILE A 66 5.601 -2.176 10.651 1.00 0.00 O ATOM 977 CB ILE A 66 7.117 -3.278 13.161 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.003 -3.545 11.941 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.395 -4.287 14.264 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.481 -3.522 12.241 1.00 0.00 C ATOM 0 H ILE A 66 5.703 -4.652 11.152 1.00 0.00 H new ATOM 0 HA ILE A 66 5.019 -3.264 13.656 1.00 0.00 H new ATOM 0 HB ILE A 66 7.349 -2.284 13.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.743 -4.517 11.521 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.786 -2.799 11.177 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.448 -4.243 14.540 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.782 -4.053 15.134 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.155 -5.289 13.909 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.041 -3.719 11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.758 -2.543 12.632 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.714 -4.287 12.982 1.00 0.00 H new ATOM 992 N GLU A 67 4.734 -1.110 12.416 1.00 0.00 N ATOM 993 CA GLU A 67 4.391 0.083 11.666 1.00 0.00 C ATOM 994 C GLU A 67 5.377 1.201 11.983 1.00 0.00 C ATOM 995 O GLU A 67 5.856 1.312 13.117 1.00 0.00 O ATOM 996 CB GLU A 67 2.955 0.507 11.997 1.00 0.00 C ATOM 997 CG GLU A 67 2.502 1.778 11.297 1.00 0.00 C ATOM 998 CD GLU A 67 1.019 2.032 11.466 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.535 2.023 12.618 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.326 2.219 10.449 1.00 0.00 O ATOM 0 H GLU A 67 4.483 -1.072 13.404 1.00 0.00 H new ATOM 0 HA GLU A 67 4.451 -0.130 10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.278 -0.304 11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.869 0.649 13.074 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.061 2.626 11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.737 1.708 10.235 1.00 0.00 H new ATOM 1007 N GLY A 68 5.706 1.997 10.971 1.00 0.00 N ATOM 1008 CA GLY A 68 6.582 3.134 11.173 1.00 0.00 C ATOM 1009 C GLY A 68 5.921 4.189 12.031 1.00 0.00 C ATOM 1010 O GLY A 68 4.979 4.848 11.594 1.00 0.00 O ATOM 0 H GLY A 68 5.380 1.874 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.507 2.804 11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.853 3.563 10.208 1.00 0.00 H new ATOM 1014 N TYR A 69 6.411 4.349 13.251 1.00 0.00 N ATOM 1015 CA TYR A 69 5.754 5.212 14.219 1.00 0.00 C ATOM 1016 C TYR A 69 6.292 6.639 14.158 1.00 0.00 C ATOM 1017 O TYR A 69 5.535 7.600 14.302 1.00 0.00 O ATOM 1018 CB TYR A 69 5.918 4.643 15.630 1.00 0.00 C ATOM 1019 CG TYR A 69 5.032 5.317 16.650 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.657 5.375 16.463 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.564 5.892 17.796 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.838 5.990 17.385 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.749 6.508 18.726 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.388 6.554 18.514 1.00 0.00 C ATOM 1025 OH TYR A 69 2.570 7.168 19.432 1.00 0.00 O ATOM 0 H TYR A 69 7.258 3.894 13.593 1.00 0.00 H new ATOM 0 HA TYR A 69 4.694 5.247 13.968 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.695 3.576 15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.959 4.746 15.938 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.222 4.931 15.580 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.630 5.857 17.963 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.771 6.029 17.223 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.176 6.951 19.614 1.00 0.00 H new ATOM 0 HH TYR A 69 2.772 6.829 20.329 1.00 0.00 H new ATOM 1035 N ASP A 70 7.592 6.782 13.942 1.00 0.00 N ATOM 1036 CA ASP A 70 8.201 8.110 13.897 1.00 0.00 C ATOM 1037 C ASP A 70 7.987 8.812 12.540 1.00 0.00 C ATOM 1038 O ASP A 70 7.857 10.035 12.513 1.00 0.00 O ATOM 1039 CB ASP A 70 9.695 8.062 14.263 1.00 0.00 C ATOM 1040 CG ASP A 70 10.592 7.662 13.112 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.709 6.454 12.842 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.197 8.553 12.481 1.00 0.00 O ATOM 0 H ASP A 70 8.241 6.008 13.797 1.00 0.00 H new ATOM 0 HA ASP A 70 7.689 8.708 14.651 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.002 9.042 14.627 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.836 7.358 15.083 1.00 0.00 H new ATOM 1047 N PRO A 71 7.946 8.093 11.387 1.00 0.00 N ATOM 1048 CA PRO A 71 7.629 8.708 10.110 1.00 0.00 C ATOM 1049 C PRO A 71 6.129 8.667 9.820 1.00 0.00 C ATOM 1050 O PRO A 71 5.522 7.594 9.799 1.00 0.00 O ATOM 1051 CB PRO A 71 8.400 7.849 9.094 1.00 0.00 C ATOM 1052 CG PRO A 71 8.867 6.631 9.836 1.00 0.00 C ATOM 1053 CD PRO A 71 8.225 6.666 11.195 1.00 0.00 C ATOM 0 HA PRO A 71 7.903 9.763 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.761 7.572 8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.245 8.400 8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.587 5.724 9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.953 6.627 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.314 6.068 11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.890 6.277 11.966 1.00 0.00 H new ATOM 1061 N PRO A 72 5.510 9.838 9.603 1.00 0.00 N ATOM 1062 CA PRO A 72 4.075 9.951 9.296 1.00 0.00 C ATOM 1063 C PRO A 72 3.736 9.447 7.890 1.00 0.00 C ATOM 1064 O PRO A 72 3.066 10.131 7.113 1.00 0.00 O ATOM 1065 CB PRO A 72 3.800 11.461 9.400 1.00 0.00 C ATOM 1066 CG PRO A 72 5.013 12.051 10.040 1.00 0.00 C ATOM 1067 CD PRO A 72 6.151 11.156 9.659 1.00 0.00 C ATOM 0 HA PRO A 72 3.470 9.345 9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.626 11.896 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.909 11.656 9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.183 13.070 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.899 12.100 11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.586 11.437 8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.955 11.186 10.394 1.00 0.00 H new ATOM 1075 N GLU A 73 4.194 8.244 7.574 1.00 0.00 N ATOM 1076 CA GLU A 73 3.953 7.645 6.270 1.00 0.00 C ATOM 1077 C GLU A 73 2.778 6.676 6.344 1.00 0.00 C ATOM 1078 O GLU A 73 1.840 6.762 5.552 1.00 0.00 O ATOM 1079 CB GLU A 73 5.209 6.919 5.788 1.00 0.00 C ATOM 1080 CG GLU A 73 6.459 7.783 5.835 1.00 0.00 C ATOM 1081 CD GLU A 73 7.701 7.051 5.376 1.00 0.00 C ATOM 1082 OE1 GLU A 73 8.105 6.078 6.044 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.297 7.460 4.358 1.00 0.00 O ATOM 0 H GLU A 73 4.739 7.660 8.209 1.00 0.00 H new ATOM 0 HA GLU A 73 3.708 8.434 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.366 6.032 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.052 6.575 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.310 8.662 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.610 8.139 6.854 1.00 0.00 H new ATOM 1090 N GLY A 74 2.830 5.765 7.310 1.00 0.00 N ATOM 1091 CA GLY A 74 1.751 4.813 7.496 1.00 0.00 C ATOM 1092 C GLY A 74 1.947 3.547 6.686 1.00 0.00 C ATOM 1093 O GLY A 74 1.409 3.413 5.585 1.00 0.00 O ATOM 0 H GLY A 74 3.603 5.669 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.676 4.556 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.807 5.279 7.213 1.00 0.00 H new ATOM 1097 N TRP A 75 2.716 2.617 7.227 1.00 0.00 N ATOM 1098 CA TRP A 75 2.981 1.355 6.553 1.00 0.00 C ATOM 1099 C TRP A 75 3.309 0.270 7.564 1.00 0.00 C ATOM 1100 O TRP A 75 3.786 0.558 8.662 1.00 0.00 O ATOM 1101 CB TRP A 75 4.126 1.497 5.540 1.00 0.00 C ATOM 1102 CG TRP A 75 5.348 2.182 6.081 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.688 3.488 5.899 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.393 1.603 6.879 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.872 3.762 6.534 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.326 2.623 7.142 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.631 0.326 7.398 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.474 2.407 7.899 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.771 0.113 8.149 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.680 1.148 8.394 1.00 0.00 C ATOM 0 H TRP A 75 3.170 2.712 8.135 1.00 0.00 H new ATOM 0 HA TRP A 75 2.079 1.071 6.010 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.407 0.505 5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.764 2.054 4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.109 4.205 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.339 4.669 6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.936 -0.480 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.177 3.205 8.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 7.964 -0.869 8.554 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.562 0.949 8.985 1.00 0.00 H new ATOM 1121 N GLY A 76 3.055 -0.970 7.186 1.00 0.00 N ATOM 1122 CA GLY A 76 3.343 -2.086 8.055 1.00 0.00 C ATOM 1123 C GLY A 76 4.381 -3.009 7.461 1.00 0.00 C ATOM 1124 O GLY A 76 4.195 -3.546 6.365 1.00 0.00 O ATOM 0 H GLY A 76 2.651 -1.224 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.695 -1.715 9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.426 -2.645 8.245 1.00 0.00 H new ATOM 1128 N TRP A 77 5.477 -3.190 8.176 1.00 0.00 N ATOM 1129 CA TRP A 77 6.538 -4.075 7.737 1.00 0.00 C ATOM 1130 C TRP A 77 6.346 -5.442 8.366 1.00 0.00 C ATOM 1131 O TRP A 77 6.112 -5.550 9.568 1.00 0.00 O ATOM 1132 CB TRP A 77 7.911 -3.503 8.114 1.00 0.00 C ATOM 1133 CG TRP A 77 9.057 -4.421 7.796 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.756 -5.194 8.679 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.633 -4.665 6.508 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.731 -5.902 8.019 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.677 -5.593 6.685 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.370 -4.188 5.222 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.454 -6.052 5.625 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.141 -4.645 4.171 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.173 -5.569 4.378 1.00 0.00 C ATOM 0 H TRP A 77 5.655 -2.731 9.070 1.00 0.00 H new ATOM 0 HA TRP A 77 6.497 -4.168 6.652 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.057 -2.559 7.590 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.921 -3.280 9.181 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.569 -5.242 9.742 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.388 -6.552 8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.578 -3.474 5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.250 -6.764 5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 9.945 -4.284 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.758 -5.906 3.535 1.00 0.00 H new ATOM 1152 N CYS A 78 6.419 -6.479 7.556 1.00 0.00 N ATOM 1153 CA CYS A 78 6.267 -7.830 8.059 1.00 0.00 C ATOM 1154 C CYS A 78 7.595 -8.564 7.948 1.00 0.00 C ATOM 1155 O CYS A 78 7.977 -8.980 6.860 1.00 0.00 O ATOM 1156 CB CYS A 78 5.178 -8.567 7.279 1.00 0.00 C ATOM 1157 SG CYS A 78 4.401 -9.937 8.195 1.00 0.00 S ATOM 0 H CYS A 78 6.582 -6.413 6.551 1.00 0.00 H new ATOM 0 HA CYS A 78 5.968 -7.793 9.107 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.406 -7.853 6.992 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.609 -8.959 6.358 1.00 0.00 H new ATOM 1162 N TYR A 79 8.288 -8.698 9.080 1.00 0.00 N ATOM 1163 CA TYR A 79 9.637 -9.279 9.137 1.00 0.00 C ATOM 1164 C TYR A 79 9.787 -10.539 8.283 1.00 0.00 C ATOM 1165 O TYR A 79 10.523 -10.541 7.301 1.00 0.00 O ATOM 1166 CB TYR A 79 10.012 -9.617 10.583 1.00 0.00 C ATOM 1167 CG TYR A 79 10.445 -8.433 11.422 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.673 -7.821 11.207 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.643 -7.947 12.448 1.00 0.00 C ATOM 1170 CE1 TYR A 79 12.090 -6.761 11.987 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.050 -6.883 13.228 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.275 -6.295 12.996 1.00 0.00 C ATOM 1173 OH TYR A 79 11.688 -5.242 13.780 1.00 0.00 O ATOM 0 H TYR A 79 7.930 -8.406 9.990 1.00 0.00 H new ATOM 0 HA TYR A 79 10.308 -8.521 8.732 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.156 -10.091 11.064 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.818 -10.350 10.572 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.313 -8.181 10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.686 -8.409 12.638 1.00 0.00 H new ATOM 0 HE1 TYR A 79 13.050 -6.299 11.807 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.411 -6.513 14.016 1.00 0.00 H new ATOM 0 HH TYR A 79 11.395 -5.387 14.704 1.00 0.00 H new ATOM 1183 N VAL A 80 9.078 -11.599 8.657 1.00 0.00 N ATOM 1184 CA VAL A 80 9.242 -12.901 8.011 1.00 0.00 C ATOM 1185 C VAL A 80 8.782 -12.893 6.551 1.00 0.00 C ATOM 1186 O VAL A 80 9.212 -13.725 5.753 1.00 0.00 O ATOM 1187 CB VAL A 80 8.499 -14.014 8.785 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.126 -14.218 10.155 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.018 -13.692 8.924 1.00 0.00 C ATOM 0 H VAL A 80 8.384 -11.584 9.404 1.00 0.00 H new ATOM 0 HA VAL A 80 10.311 -13.111 8.025 1.00 0.00 H new ATOM 0 HB VAL A 80 8.592 -14.938 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.591 -15.005 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.171 -14.505 10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.066 -13.290 10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.522 -14.492 9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.899 -12.753 9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.571 -13.599 7.934 1.00 0.00 H new ATOM 1199 N ASP A 81 7.916 -11.953 6.202 1.00 0.00 N ATOM 1200 CA ASP A 81 7.416 -11.848 4.832 1.00 0.00 C ATOM 1201 C ASP A 81 8.372 -11.019 3.997 1.00 0.00 C ATOM 1202 O ASP A 81 8.515 -11.240 2.796 1.00 0.00 O ATOM 1203 CB ASP A 81 6.039 -11.183 4.785 1.00 0.00 C ATOM 1204 CG ASP A 81 4.974 -11.905 5.581 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.232 -12.285 6.734 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.839 -12.029 5.086 1.00 0.00 O ATOM 0 H ASP A 81 7.544 -11.253 6.843 1.00 0.00 H new ATOM 0 HA ASP A 81 7.335 -12.860 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.128 -10.163 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.716 -11.114 3.746 1.00 0.00 H new ATOM 1211 N GLU A 82 9.001 -10.045 4.655 1.00 0.00 N ATOM 1212 CA GLU A 82 9.927 -9.119 4.013 1.00 0.00 C ATOM 1213 C GLU A 82 9.181 -8.208 3.047 1.00 0.00 C ATOM 1214 O GLU A 82 9.748 -7.692 2.085 1.00 0.00 O ATOM 1215 CB GLU A 82 11.051 -9.877 3.303 1.00 0.00 C ATOM 1216 CG GLU A 82 11.894 -10.713 4.251 1.00 0.00 C ATOM 1217 CD GLU A 82 13.020 -11.433 3.547 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.104 -10.831 3.390 1.00 0.00 O ATOM 1219 OE2 GLU A 82 12.829 -12.604 3.152 1.00 0.00 O ATOM 0 H GLU A 82 8.880 -9.877 5.654 1.00 0.00 H new ATOM 0 HA GLU A 82 10.383 -8.497 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.619 -10.526 2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.694 -9.164 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.308 -10.069 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.257 -11.443 4.750 1.00 0.00 H new ATOM 1226 N VAL A 83 7.905 -7.995 3.335 1.00 0.00 N ATOM 1227 CA VAL A 83 7.070 -7.123 2.527 1.00 0.00 C ATOM 1228 C VAL A 83 6.572 -5.949 3.358 1.00 0.00 C ATOM 1229 O VAL A 83 6.457 -6.047 4.586 1.00 0.00 O ATOM 1230 CB VAL A 83 5.855 -7.871 1.935 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.309 -9.036 1.071 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.916 -8.352 3.036 1.00 0.00 C ATOM 0 H VAL A 83 7.424 -8.418 4.129 1.00 0.00 H new ATOM 0 HA VAL A 83 7.687 -6.764 1.703 1.00 0.00 H new ATOM 0 HB VAL A 83 5.305 -7.171 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.437 -9.549 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.925 -8.664 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.890 -9.732 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.070 -8.875 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.452 -9.030 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.554 -7.496 3.605 1.00 0.00 H new ATOM 1242 N MET A 84 6.282 -4.845 2.687 1.00 0.00 N ATOM 1243 CA MET A 84 5.757 -3.662 3.349 1.00 0.00 C ATOM 1244 C MET A 84 4.417 -3.278 2.740 1.00 0.00 C ATOM 1245 O MET A 84 4.345 -2.889 1.577 1.00 0.00 O ATOM 1246 CB MET A 84 6.737 -2.494 3.221 1.00 0.00 C ATOM 1247 CG MET A 84 6.257 -1.220 3.896 1.00 0.00 C ATOM 1248 SD MET A 84 7.393 0.163 3.668 1.00 0.00 S ATOM 1249 CE MET A 84 8.857 -0.459 4.493 1.00 0.00 C ATOM 0 H MET A 84 6.402 -4.744 1.679 1.00 0.00 H new ATOM 0 HA MET A 84 5.621 -3.889 4.406 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.695 -2.785 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.912 -2.292 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.279 -0.950 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.127 -1.406 4.962 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.526 0.371 4.721 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.569 -0.958 5.418 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.368 -1.169 3.842 1.00 0.00 H new ATOM 1259 N PHE A 85 3.359 -3.400 3.519 1.00 0.00 N ATOM 1260 CA PHE A 85 2.031 -3.044 3.047 1.00 0.00 C ATOM 1261 C PHE A 85 1.602 -1.715 3.651 1.00 0.00 C ATOM 1262 O PHE A 85 2.126 -1.300 4.683 1.00 0.00 O ATOM 1263 CB PHE A 85 1.018 -4.153 3.367 1.00 0.00 C ATOM 1264 CG PHE A 85 0.983 -4.572 4.811 1.00 0.00 C ATOM 1265 CD1 PHE A 85 1.845 -5.549 5.286 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.081 -3.997 5.691 1.00 0.00 C ATOM 1267 CE1 PHE A 85 1.809 -5.940 6.610 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.041 -4.385 7.015 1.00 0.00 C ATOM 1269 CZ PHE A 85 0.907 -5.356 7.475 1.00 0.00 C ATOM 0 H PHE A 85 3.391 -3.742 4.479 1.00 0.00 H new ATOM 0 HA PHE A 85 2.064 -2.935 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.024 -3.813 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.248 -5.025 2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.553 -6.009 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.599 -3.236 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.486 -6.702 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.668 -3.929 7.691 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.879 -5.658 8.511 1.00 0.00 H new ATOM 1279 N ASP A 86 0.662 -1.045 3.003 1.00 0.00 N ATOM 1280 CA ASP A 86 0.246 0.286 3.431 1.00 0.00 C ATOM 1281 C ASP A 86 -0.755 0.206 4.578 1.00 0.00 C ATOM 1282 O ASP A 86 -1.681 -0.605 4.552 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.370 1.058 2.260 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.703 2.496 2.619 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.695 2.726 3.341 1.00 0.00 O ATOM 1286 OD2 ASP A 86 0.028 3.405 2.184 1.00 0.00 O ATOM 0 H ASP A 86 0.172 -1.398 2.181 1.00 0.00 H new ATOM 0 HA ASP A 86 1.133 0.814 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.323 1.049 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.277 0.550 1.932 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.557 1.051 5.581 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.469 1.133 6.716 1.00 0.00 C ATOM 1293 C LEU A 87 -1.792 2.587 7.033 1.00 0.00 C ATOM 1294 O LEU A 87 -2.298 2.894 8.105 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.862 0.469 7.955 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.842 -1.059 7.948 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.180 -1.582 9.214 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.256 -1.607 7.820 1.00 0.00 C ATOM 0 H LEU A 87 0.233 1.694 5.632 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.385 0.607 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.161 0.826 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.417 0.802 8.832 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.263 -1.397 7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.172 -2.672 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.844 -1.212 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.737 -1.237 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.225 -2.697 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.857 -1.264 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.700 -1.254 6.889 1.00 0.00 H new ATOM 1310 N SER A 88 -1.534 3.471 6.076 1.00 0.00 N ATOM 1311 CA SER A 88 -1.644 4.910 6.303 1.00 0.00 C ATOM 1312 C SER A 88 -3.067 5.316 6.683 1.00 0.00 C ATOM 1313 O SER A 88 -3.273 6.273 7.430 1.00 0.00 O ATOM 1314 CB SER A 88 -1.187 5.672 5.058 1.00 0.00 C ATOM 1315 OG SER A 88 -1.909 5.258 3.911 1.00 0.00 O ATOM 0 H SER A 88 -1.246 3.216 5.131 1.00 0.00 H new ATOM 0 HA SER A 88 -0.996 5.167 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.326 6.742 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.121 5.508 4.899 1.00 0.00 H new ATOM 0 HG SER A 88 -1.893 4.280 3.849 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.045 4.568 6.191 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.447 4.878 6.445 1.00 0.00 C ATOM 1323 C ASP A 89 -5.903 4.317 7.787 1.00 0.00 C ATOM 1324 O ASP A 89 -7.029 4.560 8.218 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.334 4.324 5.327 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.041 4.955 3.982 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -6.244 6.177 3.836 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -5.618 4.227 3.056 1.00 0.00 O ATOM 0 H ASP A 89 -3.894 3.741 5.613 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.543 5.963 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.192 3.246 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.380 4.492 5.582 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.028 3.567 8.446 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.365 2.936 9.719 1.00 0.00 C ATOM 1335 C ARG A 90 -4.198 3.055 10.694 1.00 0.00 C ATOM 1336 O ARG A 90 -4.097 2.279 11.645 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.689 1.449 9.513 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.690 1.173 8.403 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.965 -0.314 8.262 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.747 -0.613 7.065 1.00 0.00 N ATOM 1341 CZ ARG A 90 -8.733 -1.505 7.017 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -9.093 -2.170 8.107 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -9.364 -1.725 5.871 1.00 0.00 N ATOM 0 H ARG A 90 -4.079 3.380 8.121 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.238 3.446 10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.764 0.915 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.078 1.042 10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.622 1.699 8.612 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.308 1.565 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.020 -0.856 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.500 -0.669 9.143 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.522 -0.105 6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.613 -1.999 8.991 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.850 -2.852 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.092 -1.211 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.121 -2.408 5.828 1.00 0.00 H new ATOM 1357 N MET A 91 -3.337 4.040 10.460 1.00 0.00 N ATOM 1358 CA MET A 91 -2.068 4.153 11.182 1.00 0.00 C ATOM 1359 C MET A 91 -2.271 4.374 12.679 1.00 0.00 C ATOM 1360 O MET A 91 -3.296 4.905 13.112 1.00 0.00 O ATOM 1361 CB MET A 91 -1.216 5.287 10.603 1.00 0.00 C ATOM 1362 CG MET A 91 -1.827 6.670 10.772 1.00 0.00 C ATOM 1363 SD MET A 91 -0.737 7.987 10.198 1.00 0.00 S ATOM 1364 CE MET A 91 0.661 7.769 11.299 1.00 0.00 C ATOM 0 H MET A 91 -3.494 4.777 9.772 1.00 0.00 H new ATOM 0 HA MET A 91 -1.547 3.204 11.053 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.237 5.273 11.082 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.054 5.100 9.541 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.767 6.717 10.223 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.064 6.832 11.824 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.219 8.703 11.368 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.304 7.485 12.289 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.312 6.986 10.910 1.00 0.00 H new ATOM 1374 N THR A 92 -1.288 3.943 13.459 1.00 0.00 N ATOM 1375 CA THR A 92 -1.305 4.122 14.902 1.00 0.00 C ATOM 1376 C THR A 92 -1.139 5.599 15.263 1.00 0.00 C ATOM 1377 O THR A 92 -0.176 6.245 14.841 1.00 0.00 O ATOM 1378 CB THR A 92 -0.181 3.299 15.568 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.240 1.940 15.115 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.300 3.330 17.085 1.00 0.00 C ATOM 0 H THR A 92 -0.460 3.461 13.109 1.00 0.00 H new ATOM 0 HA THR A 92 -2.268 3.770 15.271 1.00 0.00 H new ATOM 0 HB THR A 92 0.774 3.744 15.287 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.228 1.860 14.258 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.505 2.742 17.525 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.230 4.360 17.434 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.261 2.910 17.383 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.086 6.155 16.033 1.00 0.00 N ATOM 1389 CA PRO A 93 -2.045 7.560 16.445 1.00 0.00 C ATOM 1390 C PRO A 93 -0.866 7.862 17.366 1.00 0.00 C ATOM 1391 O PRO A 93 -0.493 7.044 18.213 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.370 7.760 17.188 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.785 6.394 17.615 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.274 5.458 16.558 1.00 0.00 C ATOM 0 HA PRO A 93 -1.918 8.227 15.592 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.245 8.420 18.046 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.120 8.216 16.541 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.367 6.146 18.591 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.869 6.326 17.706 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.018 4.483 16.974 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.017 5.287 15.779 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.276 9.036 17.189 1.00 0.00 N ATOM 1403 CA HIS A 94 0.836 9.466 18.024 1.00 0.00 C ATOM 1404 C HIS A 94 0.356 9.773 19.436 1.00 0.00 C ATOM 1405 O HIS A 94 -0.563 10.567 19.633 1.00 0.00 O ATOM 1406 CB HIS A 94 1.535 10.687 17.418 1.00 0.00 C ATOM 1407 CG HIS A 94 2.336 10.367 16.193 1.00 0.00 C ATOM 1408 ND1 HIS A 94 2.139 10.978 14.973 1.00 0.00 N ATOM 1409 CD2 HIS A 94 3.354 9.495 16.011 1.00 0.00 C ATOM 1410 CE1 HIS A 94 3.000 10.495 14.096 1.00 0.00 C ATOM 1411 NE2 HIS A 94 3.747 9.594 14.703 1.00 0.00 N ATOM 0 H HIS A 94 -0.550 9.709 16.473 1.00 0.00 H new ATOM 0 HA HIS A 94 1.558 8.651 18.073 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.786 11.438 17.167 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.192 11.129 18.167 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.778 8.842 16.759 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.079 10.788 13.059 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.497 9.057 14.268 1.00 0.00 H new ATOM 1420 N ASN A 95 0.985 9.130 20.408 1.00 0.00 N ATOM 1421 CA ASN A 95 0.598 9.262 21.808 1.00 0.00 C ATOM 1422 C ASN A 95 1.015 10.624 22.357 1.00 0.00 C ATOM 1423 O ASN A 95 0.376 11.165 23.258 1.00 0.00 O ATOM 1424 CB ASN A 95 1.239 8.137 22.630 1.00 0.00 C ATOM 1425 CG ASN A 95 0.782 8.120 24.076 1.00 0.00 C ATOM 1426 OD1 ASN A 95 -0.345 8.502 24.395 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.652 7.659 24.960 1.00 0.00 N ATOM 0 H ASN A 95 1.775 8.504 20.252 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.487 9.185 21.881 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.002 7.178 22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.323 8.246 22.599 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.399 7.610 25.947 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.576 7.352 24.654 1.00 0.00 H new ATOM 1434 N GLY A 96 2.081 11.178 21.799 1.00 0.00 N ATOM 1435 CA GLY A 96 2.559 12.472 22.237 1.00 0.00 C ATOM 1436 C GLY A 96 3.620 13.025 21.311 1.00 0.00 C ATOM 1437 O GLY A 96 3.906 12.423 20.273 1.00 0.00 O ATOM 0 H GLY A 96 2.625 10.753 21.048 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.723 13.169 22.288 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.965 12.387 23.245 1.00 0.00 H new ATOM 1441 N PRO A 97 4.211 14.179 21.650 1.00 0.00 N ATOM 1442 CA PRO A 97 5.291 14.782 20.868 1.00 0.00 C ATOM 1443 C PRO A 97 6.594 14.004 21.019 1.00 0.00 C ATOM 1444 O PRO A 97 7.187 13.965 22.099 1.00 0.00 O ATOM 1445 CB PRO A 97 5.436 16.195 21.458 1.00 0.00 C ATOM 1446 CG PRO A 97 4.270 16.373 22.375 1.00 0.00 C ATOM 1447 CD PRO A 97 3.872 14.997 22.818 1.00 0.00 C ATOM 0 HA PRO A 97 5.070 14.786 19.801 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.377 16.299 21.997 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.434 16.950 20.671 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.538 16.995 23.229 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.446 16.871 21.864 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.419 14.682 23.707 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.811 14.939 23.060 1.00 0.00 H new ATOM 1455 N ILE A 98 7.030 13.383 19.935 1.00 0.00 N ATOM 1456 CA ILE A 98 8.209 12.531 19.963 1.00 0.00 C ATOM 1457 C ILE A 98 9.472 13.332 19.664 1.00 0.00 C ATOM 1458 O ILE A 98 9.540 14.038 18.654 1.00 0.00 O ATOM 1459 CB ILE A 98 8.088 11.384 18.937 1.00 0.00 C ATOM 1460 CG1 ILE A 98 6.796 10.601 19.167 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.299 10.464 19.021 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.567 9.499 18.156 1.00 0.00 C ATOM 0 H ILE A 98 6.583 13.453 19.021 1.00 0.00 H new ATOM 0 HA ILE A 98 8.278 12.112 20.967 1.00 0.00 H new ATOM 0 HB ILE A 98 8.056 11.814 17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.817 10.167 20.167 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.953 11.291 19.137 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.197 9.661 18.291 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.204 11.034 18.810 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.364 10.038 20.022 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.632 8.987 18.382 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.513 9.928 17.156 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.391 8.787 18.201 1.00 0.00 H new ATOM 1474 N PRO A 99 10.478 13.249 20.548 1.00 0.00 N ATOM 1475 CA PRO A 99 11.782 13.873 20.323 1.00 0.00 C ATOM 1476 C PRO A 99 12.505 13.237 19.142 1.00 0.00 C ATOM 1477 O PRO A 99 12.743 12.027 19.121 1.00 0.00 O ATOM 1478 CB PRO A 99 12.554 13.611 21.623 1.00 0.00 C ATOM 1479 CG PRO A 99 11.526 13.199 22.622 1.00 0.00 C ATOM 1480 CD PRO A 99 10.421 12.550 21.840 1.00 0.00 C ATOM 0 HA PRO A 99 11.692 14.933 20.087 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.302 12.830 21.485 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.084 14.505 21.951 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.947 12.506 23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.156 14.060 23.178 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.582 11.478 21.727 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.454 12.677 22.326 1.00 0.00 H new ATOM 1488 N ARG A 100 12.844 14.048 18.156 1.00 0.00 N ATOM 1489 CA ARG A 100 13.510 13.550 16.967 1.00 0.00 C ATOM 1490 C ARG A 100 14.987 13.900 17.030 1.00 0.00 C ATOM 1491 O ARG A 100 15.361 15.067 16.923 1.00 0.00 O ATOM 1492 CB ARG A 100 12.890 14.155 15.709 1.00 0.00 C ATOM 1493 CG ARG A 100 12.827 13.194 14.534 1.00 0.00 C ATOM 1494 CD ARG A 100 11.592 12.311 14.618 1.00 0.00 C ATOM 1495 NE ARG A 100 11.463 11.417 13.468 1.00 0.00 N ATOM 1496 CZ ARG A 100 11.164 11.818 12.230 1.00 0.00 C ATOM 1497 NH1 ARG A 100 11.022 13.111 11.945 1.00 0.00 N ATOM 1498 NH2 ARG A 100 11.009 10.914 11.276 1.00 0.00 N ATOM 0 H ARG A 100 12.669 15.053 18.155 1.00 0.00 H new ATOM 0 HA ARG A 100 13.390 12.467 16.925 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.882 14.498 15.941 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.466 15.033 15.418 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.814 13.756 13.600 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.722 12.573 14.519 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.635 11.718 15.532 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.704 12.939 14.687 1.00 0.00 H new ATOM 0 HE ARG A 100 11.611 10.420 13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.142 13.811 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.793 13.402 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.118 9.923 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.780 11.209 10.327 1.00 0.00 H new ATOM 1512 N TYR A 101 15.823 12.892 17.209 1.00 0.00 N ATOM 1513 CA TYR A 101 17.255 13.111 17.347 1.00 0.00 C ATOM 1514 C TYR A 101 17.908 13.263 15.981 1.00 0.00 C ATOM 1515 O TYR A 101 19.053 13.701 15.872 1.00 0.00 O ATOM 1516 CB TYR A 101 17.895 11.962 18.128 1.00 0.00 C ATOM 1517 CG TYR A 101 17.344 11.811 19.530 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.845 12.572 20.579 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.322 10.910 19.804 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.345 12.438 21.861 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.817 10.772 21.083 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.331 11.537 22.108 1.00 0.00 C ATOM 1523 OH TYR A 101 15.829 11.399 23.383 1.00 0.00 O ATOM 0 H TYR A 101 15.537 11.914 17.262 1.00 0.00 H new ATOM 0 HA TYR A 101 17.412 14.035 17.903 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.741 11.031 17.582 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.971 12.125 18.184 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.638 13.280 20.390 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.916 10.308 19.005 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.747 13.036 22.665 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.022 10.067 21.279 1.00 0.00 H new ATOM 0 HH TYR A 101 15.119 10.724 23.384 1.00 0.00 H new ATOM 1533 N VAL A 102 17.172 12.909 14.941 1.00 0.00 N ATOM 1534 CA VAL A 102 17.659 13.052 13.581 1.00 0.00 C ATOM 1535 C VAL A 102 16.647 13.807 12.720 1.00 0.00 C ATOM 1536 O VAL A 102 16.639 15.055 12.780 1.00 0.00 O ATOM 1537 CB VAL A 102 17.992 11.681 12.945 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.308 11.148 13.489 1.00 0.00 C ATOM 1539 CG2 VAL A 102 16.879 10.676 13.200 1.00 0.00 C ATOM 1540 OXT VAL A 102 15.866 13.162 11.993 1.00 0.00 O ATOM 0 H VAL A 102 16.232 12.519 15.014 1.00 0.00 H new ATOM 0 HA VAL A 102 18.582 13.630 13.625 1.00 0.00 H new ATOM 0 HB VAL A 102 18.086 11.825 11.869 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.527 10.183 13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.109 11.850 13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.233 11.028 14.570 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.139 9.721 12.742 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.750 10.540 14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.949 11.045 12.767 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.170 -11.487 6.921 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.550 -6.434 19.959 1.00 0.00 ZN