USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0811 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.22) USER MOD Single : A 11 GLN : amide:sc= -4.61! C(o=-4.6!,f=-9.4!) USER MOD Single : A 12 ASN : amide:sc= -0.801 K(o=-0.8,f=-4.3!) USER MOD Single : A 17 TYR OH : rot 9:sc= 1.1 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1 (180deg=0.93) USER MOD Single : A 24 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.166 USER MOD Single : A 48 TYR OH : rot 138:sc= 0.0908 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.147 USER MOD Single : A 69 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.1) USER MOD Single : A 70 MET CE :methyl 177:sc= -0.179 (180deg=-0.224) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 73:sc= 0.151 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.541 (180deg=-0.946) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.638 K(o=0.64,f=-4.5!) USER MOD Single : A 103 THR OG1 : rot -134:sc= -0.0132 USER MOD Single : A 104 GLN : amide:sc= 0.729 K(o=0.73,f=-0.061) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.738 -1.084 -10.819 1.00 0.00 N ATOM 2 CA GLY A 1 -19.350 -0.815 -11.265 1.00 0.00 C ATOM 3 C GLY A 1 -18.567 -2.089 -11.495 1.00 0.00 C ATOM 4 O GLY A 1 -19.066 -3.187 -11.234 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.406 -0.752 -11.544 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.864 -2.106 -10.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.919 -0.582 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.373 -0.233 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.841 -0.208 -10.517 1.00 0.00 H new ATOM 10 N SER A 2 -17.337 -1.947 -11.973 1.00 0.00 N ATOM 11 CA SER A 2 -16.473 -3.089 -12.228 1.00 0.00 C ATOM 12 C SER A 2 -15.952 -3.677 -10.916 1.00 0.00 C ATOM 13 O SER A 2 -15.903 -2.989 -9.891 1.00 0.00 O ATOM 14 CB SER A 2 -15.313 -2.661 -13.124 1.00 0.00 C ATOM 15 OG SER A 2 -15.712 -1.612 -13.993 1.00 0.00 O ATOM 0 H SER A 2 -16.915 -1.045 -12.193 1.00 0.00 H new ATOM 0 HA SER A 2 -17.049 -3.863 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.475 -2.332 -12.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.965 -3.512 -13.709 1.00 0.00 H new ATOM 0 HG SER A 2 -14.956 -1.350 -14.558 1.00 0.00 H new ATOM 21 N LEU A 3 -15.622 -4.964 -10.939 1.00 0.00 N ATOM 22 CA LEU A 3 -15.165 -5.658 -9.741 1.00 0.00 C ATOM 23 C LEU A 3 -13.716 -5.294 -9.435 1.00 0.00 C ATOM 24 O LEU A 3 -13.049 -4.626 -10.231 1.00 0.00 O ATOM 25 CB LEU A 3 -15.298 -7.177 -9.912 1.00 0.00 C ATOM 26 CG LEU A 3 -16.697 -7.776 -9.686 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.853 -8.243 -8.253 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.798 -6.789 -10.034 1.00 0.00 C ATOM 0 H LEU A 3 -15.663 -5.548 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.792 -5.344 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.976 -7.436 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.605 -7.659 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.793 -8.632 -10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.849 -8.663 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.104 -9.004 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.718 -7.398 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.770 -7.252 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.702 -5.901 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.714 -6.505 -11.083 1.00 0.00 H new ATOM 40 N LEU A 4 -13.244 -5.701 -8.268 1.00 0.00 N ATOM 41 CA LEU A 4 -11.899 -5.377 -7.835 1.00 0.00 C ATOM 42 C LEU A 4 -11.195 -6.588 -7.244 1.00 0.00 C ATOM 43 O LEU A 4 -11.798 -7.414 -6.558 1.00 0.00 O ATOM 44 CB LEU A 4 -11.940 -4.213 -6.872 1.00 0.00 C ATOM 45 CG LEU A 4 -11.810 -4.562 -5.424 1.00 0.00 C ATOM 46 CD1 LEU A 4 -10.972 -3.497 -4.762 1.00 0.00 C ATOM 47 CD2 LEU A 4 -13.171 -4.696 -4.764 1.00 0.00 C ATOM 0 H LEU A 4 -13.778 -6.259 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.312 -5.079 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.139 -3.521 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.880 -3.680 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.323 -5.531 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.861 -3.728 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.989 -3.464 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.460 -2.529 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.042 -4.950 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.710 -3.752 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.740 -5.482 -5.260 1.00 0.00 H new ATOM 59 N THR A 5 -9.939 -6.729 -7.610 1.00 0.00 N ATOM 60 CA THR A 5 -9.148 -7.897 -7.247 1.00 0.00 C ATOM 61 C THR A 5 -7.797 -7.490 -6.685 1.00 0.00 C ATOM 62 O THR A 5 -7.268 -6.440 -7.039 1.00 0.00 O ATOM 63 CB THR A 5 -8.921 -8.799 -8.475 1.00 0.00 C ATOM 64 OG1 THR A 5 -9.222 -8.071 -9.676 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.790 -10.043 -8.398 1.00 0.00 C ATOM 0 H THR A 5 -9.433 -6.041 -8.167 1.00 0.00 H new ATOM 0 HA THR A 5 -9.704 -8.443 -6.485 1.00 0.00 H new ATOM 0 HB THR A 5 -7.876 -9.107 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.074 -8.648 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.613 -10.665 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.541 -10.606 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.840 -9.752 -8.365 1.00 0.00 H new ATOM 73 N CYS A 6 -7.234 -8.332 -5.830 1.00 0.00 N ATOM 74 CA CYS A 6 -5.927 -8.073 -5.260 1.00 0.00 C ATOM 75 C CYS A 6 -4.857 -8.718 -6.131 1.00 0.00 C ATOM 76 O CYS A 6 -5.077 -9.787 -6.701 1.00 0.00 O ATOM 77 CB CYS A 6 -5.881 -8.593 -3.815 1.00 0.00 C ATOM 78 SG CYS A 6 -4.324 -9.399 -3.306 1.00 0.00 S ATOM 0 H CYS A 6 -7.666 -9.201 -5.518 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.734 -7.001 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.071 -7.757 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.696 -9.303 -3.679 1.00 0.00 H new ATOM 83 N GLY A 7 -3.744 -8.020 -6.306 1.00 0.00 N ATOM 84 CA GLY A 7 -2.689 -8.498 -7.178 1.00 0.00 C ATOM 85 C GLY A 7 -1.953 -9.696 -6.608 1.00 0.00 C ATOM 86 O GLY A 7 -1.211 -10.373 -7.321 1.00 0.00 O ATOM 0 H GLY A 7 -3.552 -7.125 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.116 -8.766 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.978 -7.691 -7.356 1.00 0.00 H new ATOM 90 N GLY A 8 -2.167 -9.972 -5.330 1.00 0.00 N ATOM 91 CA GLY A 8 -1.521 -11.106 -4.702 1.00 0.00 C ATOM 92 C GLY A 8 -2.406 -12.331 -4.683 1.00 0.00 C ATOM 93 O GLY A 8 -1.931 -13.454 -4.869 1.00 0.00 O ATOM 0 H GLY A 8 -2.776 -9.431 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.598 -11.336 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.244 -10.844 -3.681 1.00 0.00 H new ATOM 97 N CYS A 9 -3.691 -12.120 -4.447 1.00 0.00 N ATOM 98 CA CYS A 9 -4.642 -13.215 -4.377 1.00 0.00 C ATOM 99 C CYS A 9 -5.405 -13.375 -5.685 1.00 0.00 C ATOM 100 O CYS A 9 -5.369 -14.436 -6.310 1.00 0.00 O ATOM 101 CB CYS A 9 -5.647 -12.968 -3.263 1.00 0.00 C ATOM 102 SG CYS A 9 -4.935 -12.689 -1.613 1.00 0.00 S ATOM 0 H CYS A 9 -4.099 -11.197 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.074 -14.124 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.253 -12.102 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.321 -13.823 -3.209 1.00 0.00 H new ATOM 107 N GLN A 10 -6.156 -12.327 -6.029 1.00 0.00 N ATOM 108 CA GLN A 10 -7.021 -12.304 -7.209 1.00 0.00 C ATOM 109 C GLN A 10 -8.306 -13.100 -6.967 1.00 0.00 C ATOM 110 O GLN A 10 -8.954 -13.552 -7.909 1.00 0.00 O ATOM 111 CB GLN A 10 -6.287 -12.823 -8.445 1.00 0.00 C ATOM 112 CG GLN A 10 -5.709 -11.724 -9.322 1.00 0.00 C ATOM 113 CD GLN A 10 -6.535 -11.474 -10.570 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.713 -10.330 -10.992 1.00 0.00 O ATOM 115 NE2 GLN A 10 -7.041 -12.539 -11.173 1.00 0.00 N ATOM 0 H GLN A 10 -6.181 -11.461 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.296 -11.266 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.480 -13.483 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.975 -13.425 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.642 -10.802 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.693 -11.993 -9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.871 -13.470 -10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.601 -12.428 -12.018 1.00 0.00 H new ATOM 124 N GLN A 11 -8.700 -13.214 -5.698 1.00 0.00 N ATOM 125 CA GLN A 11 -9.944 -13.894 -5.327 1.00 0.00 C ATOM 126 C GLN A 11 -11.125 -12.930 -5.392 1.00 0.00 C ATOM 127 O GLN A 11 -12.262 -13.324 -5.119 1.00 0.00 O ATOM 128 CB GLN A 11 -9.842 -14.462 -3.905 1.00 0.00 C ATOM 129 CG GLN A 11 -10.014 -13.407 -2.814 1.00 0.00 C ATOM 130 CD GLN A 11 -8.742 -12.663 -2.552 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.389 -11.731 -3.279 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.046 -13.069 -1.503 1.00 0.00 N ATOM 0 H GLN A 11 -8.174 -12.843 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.103 -14.708 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.600 -15.234 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.872 -14.944 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.792 -12.703 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.350 -13.887 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.385 -13.846 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.170 -12.605 -1.261 1.00 0.00 H new ATOM 141 N ASN A 12 -10.796 -11.650 -5.593 1.00 0.00 N ATOM 142 CA ASN A 12 -11.750 -10.536 -5.529 1.00 0.00 C ATOM 143 C ASN A 12 -11.856 -10.034 -4.095 1.00 0.00 C ATOM 144 O ASN A 12 -12.067 -10.813 -3.165 1.00 0.00 O ATOM 145 CB ASN A 12 -13.137 -10.902 -6.075 1.00 0.00 C ATOM 146 CG ASN A 12 -13.875 -9.703 -6.630 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.639 -9.286 -7.766 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.778 -9.141 -5.842 1.00 0.00 N ATOM 0 H ASN A 12 -9.844 -11.353 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.366 -9.744 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.029 -11.653 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.730 -11.353 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.308 -8.333 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.944 -9.516 -4.908 1.00 0.00 H new ATOM 155 N ILE A 13 -11.600 -8.750 -3.913 1.00 0.00 N ATOM 156 CA ILE A 13 -11.567 -8.155 -2.586 1.00 0.00 C ATOM 157 C ILE A 13 -12.978 -7.869 -2.088 1.00 0.00 C ATOM 158 O ILE A 13 -13.750 -7.168 -2.747 1.00 0.00 O ATOM 159 CB ILE A 13 -10.733 -6.858 -2.578 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.403 -7.090 -3.299 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.489 -6.379 -1.154 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.880 -5.878 -4.042 1.00 0.00 C ATOM 0 H ILE A 13 -11.411 -8.095 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.095 -8.872 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.291 -6.083 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.657 -7.405 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.524 -7.911 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.899 -5.463 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.444 -6.184 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.949 -7.146 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.935 -6.127 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.604 -5.574 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.724 -5.060 -3.339 1.00 0.00 H new ATOM 174 N GLY A 14 -13.343 -8.502 -0.983 1.00 0.00 N ATOM 175 CA GLY A 14 -14.691 -8.378 -0.468 1.00 0.00 C ATOM 176 C GLY A 14 -14.721 -7.928 0.976 1.00 0.00 C ATOM 177 O GLY A 14 -15.786 -7.875 1.593 1.00 0.00 O ATOM 0 H GLY A 14 -12.728 -9.101 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.246 -7.666 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.200 -9.338 -0.557 1.00 0.00 H new ATOM 181 N ASP A 15 -13.554 -7.599 1.523 1.00 0.00 N ATOM 182 CA ASP A 15 -13.469 -7.156 2.913 1.00 0.00 C ATOM 183 C ASP A 15 -14.021 -5.750 3.071 1.00 0.00 C ATOM 184 O ASP A 15 -14.530 -5.155 2.120 1.00 0.00 O ATOM 185 CB ASP A 15 -12.030 -7.186 3.430 1.00 0.00 C ATOM 186 CG ASP A 15 -11.526 -8.594 3.663 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.972 -9.230 4.640 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.687 -9.074 2.873 1.00 0.00 O ATOM 0 H ASP A 15 -12.661 -7.630 1.031 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.068 -7.852 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.380 -6.685 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.971 -6.624 4.362 1.00 0.00 H new ATOM 193 N ARG A 16 -13.896 -5.216 4.274 1.00 0.00 N ATOM 194 CA ARG A 16 -14.401 -3.881 4.570 1.00 0.00 C ATOM 195 C ARG A 16 -13.374 -2.811 4.226 1.00 0.00 C ATOM 196 O ARG A 16 -13.728 -1.669 3.936 1.00 0.00 O ATOM 197 CB ARG A 16 -14.794 -3.761 6.048 1.00 0.00 C ATOM 198 CG ARG A 16 -13.768 -4.337 7.009 1.00 0.00 C ATOM 199 CD ARG A 16 -13.139 -3.256 7.873 1.00 0.00 C ATOM 200 NE ARG A 16 -11.904 -3.710 8.514 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.068 -2.904 9.171 1.00 0.00 C ATOM 202 NH1 ARG A 16 -11.314 -1.601 9.240 1.00 0.00 N ATOM 203 NH2 ARG A 16 -9.980 -3.399 9.754 1.00 0.00 N ATOM 0 H ARG A 16 -13.450 -5.684 5.063 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.285 -3.725 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.951 -2.709 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.746 -4.268 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.244 -5.082 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.990 -4.851 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.927 -2.380 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.850 -2.945 8.638 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.669 -4.701 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.144 -1.214 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.673 -0.987 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.782 -4.398 9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.343 -2.779 10.255 1.00 0.00 H new ATOM 217 N TYR A 17 -12.102 -3.176 4.288 1.00 0.00 N ATOM 218 CA TYR A 17 -11.025 -2.224 4.072 1.00 0.00 C ATOM 219 C TYR A 17 -9.929 -2.886 3.250 1.00 0.00 C ATOM 220 O TYR A 17 -9.772 -4.109 3.308 1.00 0.00 O ATOM 221 CB TYR A 17 -10.471 -1.780 5.427 1.00 0.00 C ATOM 222 CG TYR A 17 -10.220 -0.293 5.545 1.00 0.00 C ATOM 223 CD1 TYR A 17 -11.227 0.623 5.267 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.987 0.195 5.955 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.014 1.980 5.390 1.00 0.00 C ATOM 226 CE2 TYR A 17 -8.766 1.553 6.085 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.782 2.442 5.799 1.00 0.00 C ATOM 228 OH TYR A 17 -9.570 3.798 5.933 1.00 0.00 O ATOM 0 H TYR A 17 -11.791 -4.127 4.487 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.397 -1.352 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.170 -2.081 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.537 -2.309 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.195 0.266 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.188 -0.497 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.808 2.677 5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.802 1.917 6.409 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.421 4.273 5.836 1.00 0.00 H new ATOM 238 N PHE A 18 -9.203 -2.103 2.463 1.00 0.00 N ATOM 239 CA PHE A 18 -8.144 -2.649 1.619 1.00 0.00 C ATOM 240 C PHE A 18 -7.148 -1.565 1.219 1.00 0.00 C ATOM 241 O PHE A 18 -7.271 -0.411 1.635 1.00 0.00 O ATOM 242 CB PHE A 18 -8.738 -3.319 0.374 1.00 0.00 C ATOM 243 CG PHE A 18 -9.157 -2.366 -0.713 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.200 -1.472 -0.518 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.510 -2.375 -1.936 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.584 -0.610 -1.522 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.889 -1.511 -2.941 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.926 -0.628 -2.733 1.00 0.00 C ATOM 0 H PHE A 18 -9.325 -1.093 2.390 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.609 -3.403 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.003 -4.014 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.603 -3.910 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.716 -1.452 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.698 -3.067 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.400 0.079 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.374 -1.526 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.223 0.050 -3.519 1.00 0.00 H new ATOM 258 N LEU A 19 -6.182 -1.939 0.390 1.00 0.00 N ATOM 259 CA LEU A 19 -5.166 -1.012 -0.082 1.00 0.00 C ATOM 260 C LEU A 19 -4.990 -1.134 -1.590 1.00 0.00 C ATOM 261 O LEU A 19 -5.105 -2.220 -2.144 1.00 0.00 O ATOM 262 CB LEU A 19 -3.832 -1.295 0.610 1.00 0.00 C ATOM 263 CG LEU A 19 -3.685 -0.701 2.008 1.00 0.00 C ATOM 264 CD1 LEU A 19 -2.605 -1.434 2.782 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.365 0.778 1.920 1.00 0.00 C ATOM 0 H LEU A 19 -6.082 -2.888 0.029 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.490 0.001 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.697 -2.375 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.027 -0.911 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.630 -0.819 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.512 -0.999 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.872 -2.487 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.655 -1.343 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.263 1.189 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.431 0.916 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.170 1.294 1.397 1.00 0.00 H new ATOM 277 N LYS A 20 -4.680 -0.026 -2.239 1.00 0.00 N ATOM 278 CA LYS A 20 -4.427 -0.012 -3.674 1.00 0.00 C ATOM 279 C LYS A 20 -3.651 1.263 -4.012 1.00 0.00 C ATOM 280 O LYS A 20 -3.840 2.273 -3.327 1.00 0.00 O ATOM 281 CB LYS A 20 -5.762 -0.094 -4.447 1.00 0.00 C ATOM 282 CG LYS A 20 -6.047 1.069 -5.395 1.00 0.00 C ATOM 283 CD LYS A 20 -6.875 2.160 -4.729 1.00 0.00 C ATOM 284 CE LYS A 20 -8.289 1.689 -4.422 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.128 1.571 -5.646 1.00 0.00 N ATOM 0 H LYS A 20 -4.596 0.887 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.832 -0.876 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.772 -1.020 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.576 -0.159 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.105 1.491 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.575 0.699 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.388 2.473 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.916 3.033 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.246 0.722 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.759 2.387 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.114 1.380 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.083 2.460 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.774 0.791 -6.236 1.00 0.00 H new ATOM 299 N ALA A 21 -2.788 1.232 -5.041 1.00 0.00 N ATOM 300 CA ALA A 21 -2.025 2.432 -5.424 1.00 0.00 C ATOM 301 C ALA A 21 -1.116 2.186 -6.625 1.00 0.00 C ATOM 302 O ALA A 21 -0.931 3.071 -7.459 1.00 0.00 O ATOM 303 CB ALA A 21 -1.188 2.941 -4.257 1.00 0.00 C ATOM 0 H ALA A 21 -2.603 0.408 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.761 3.186 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.634 3.828 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.843 3.194 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.488 2.166 -3.946 1.00 0.00 H new ATOM 309 N ILE A 22 -0.438 1.042 -6.625 1.00 0.00 N ATOM 310 CA ILE A 22 0.572 0.737 -7.640 1.00 0.00 C ATOM 311 C ILE A 22 0.022 0.885 -9.058 1.00 0.00 C ATOM 312 O ILE A 22 0.558 1.642 -9.869 1.00 0.00 O ATOM 313 CB ILE A 22 1.112 -0.702 -7.470 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.646 -0.906 -6.047 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.194 -0.986 -8.501 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.492 -2.151 -5.873 1.00 0.00 C ATOM 0 H ILE A 22 -0.569 0.306 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 22 1.378 1.457 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 22 0.295 -1.405 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.238 -0.036 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.803 -0.954 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.565 -2.003 -8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.779 -0.878 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.015 -0.281 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.829 -2.220 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.899 -3.031 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.357 -2.098 -6.534 1.00 0.00 H new ATOM 328 N ASP A 23 -1.060 0.167 -9.328 1.00 0.00 N ATOM 329 CA ASP A 23 -1.700 0.148 -10.648 1.00 0.00 C ATOM 330 C ASP A 23 -2.817 -0.882 -10.639 1.00 0.00 C ATOM 331 O ASP A 23 -3.618 -0.977 -11.567 1.00 0.00 O ATOM 332 CB ASP A 23 -0.685 -0.204 -11.746 1.00 0.00 C ATOM 333 CG ASP A 23 -1.282 -0.193 -13.140 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.947 0.797 -13.511 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.077 -1.176 -13.882 1.00 0.00 O ATOM 0 H ASP A 23 -1.525 -0.423 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.101 1.139 -10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.142 0.504 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.269 -1.191 -11.544 1.00 0.00 H new ATOM 340 N GLN A 24 -2.902 -1.601 -9.535 1.00 0.00 N ATOM 341 CA GLN A 24 -3.942 -2.582 -9.331 1.00 0.00 C ATOM 342 C GLN A 24 -4.334 -2.577 -7.867 1.00 0.00 C ATOM 343 O GLN A 24 -3.655 -1.960 -7.042 1.00 0.00 O ATOM 344 CB GLN A 24 -3.467 -3.970 -9.769 1.00 0.00 C ATOM 345 CG GLN A 24 -2.427 -4.584 -8.847 1.00 0.00 C ATOM 346 CD GLN A 24 -1.090 -4.798 -9.527 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.552 -5.904 -9.527 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.544 -3.744 -10.112 1.00 0.00 N ATOM 0 H GLN A 24 -2.249 -1.518 -8.756 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.812 -2.330 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.327 -4.637 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.051 -3.901 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.289 -3.937 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.797 -5.539 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.022 -2.843 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.355 -3.832 -10.585 1.00 0.00 H new ATOM 357 N TYR A 25 -5.421 -3.245 -7.547 1.00 0.00 N ATOM 358 CA TYR A 25 -5.904 -3.281 -6.180 1.00 0.00 C ATOM 359 C TYR A 25 -5.240 -4.402 -5.403 1.00 0.00 C ATOM 360 O TYR A 25 -4.687 -5.335 -5.988 1.00 0.00 O ATOM 361 CB TYR A 25 -7.421 -3.445 -6.149 1.00 0.00 C ATOM 362 CG TYR A 25 -8.148 -2.604 -7.169 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.962 -1.232 -7.225 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.022 -3.187 -8.073 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.627 -0.462 -8.156 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.694 -2.422 -9.009 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.492 -1.059 -9.046 1.00 0.00 C ATOM 368 OH TYR A 25 -10.158 -0.288 -9.972 1.00 0.00 O ATOM 0 H TYR A 25 -5.988 -3.771 -8.212 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.646 -2.333 -5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.667 -4.494 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.784 -3.187 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.286 -0.758 -6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.181 -4.255 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.470 0.606 -8.187 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.373 -2.890 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.728 -0.861 -10.525 1.00 0.00 H new ATOM 378 N TRP A 26 -5.226 -4.262 -4.091 1.00 0.00 N ATOM 379 CA TRP A 26 -4.587 -5.236 -3.229 1.00 0.00 C ATOM 380 C TRP A 26 -5.454 -5.512 -2.011 1.00 0.00 C ATOM 381 O TRP A 26 -6.564 -4.991 -1.889 1.00 0.00 O ATOM 382 CB TRP A 26 -3.220 -4.726 -2.760 1.00 0.00 C ATOM 383 CG TRP A 26 -2.290 -4.356 -3.872 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.169 -3.134 -4.469 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.346 -5.212 -4.510 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.207 -3.182 -5.446 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.683 -4.450 -5.489 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.997 -6.553 -4.345 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.311 -4.988 -6.301 1.00 0.00 C ATOM 390 CZ3 TRP A 26 -0.012 -7.088 -5.151 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.634 -6.305 -6.117 1.00 0.00 C ATOM 0 H TRP A 26 -5.653 -3.478 -3.597 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.454 -6.155 -3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.369 -3.856 -2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.749 -5.494 -2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.746 -2.258 -4.210 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.927 -2.403 -6.042 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.489 -7.161 -3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.809 -4.388 -7.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.265 -8.125 -5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.404 -6.751 -6.730 1.00 0.00 H new ATOM 402 N HIS A 27 -4.847 -6.144 -1.030 1.00 0.00 N ATOM 403 CA HIS A 27 -5.459 -6.308 0.274 1.00 0.00 C ATOM 404 C HIS A 27 -4.665 -5.476 1.270 1.00 0.00 C ATOM 405 O HIS A 27 -3.551 -5.043 0.960 1.00 0.00 O ATOM 406 CB HIS A 27 -5.444 -7.778 0.702 1.00 0.00 C ATOM 407 CG HIS A 27 -6.630 -8.577 0.250 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.489 -9.692 -0.546 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.944 -8.408 0.539 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.711 -10.178 -0.722 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.624 -9.429 -0.080 1.00 0.00 N ATOM 0 H HIS A 27 -3.918 -6.558 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.498 -5.981 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.539 -8.246 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.385 -7.825 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.374 -7.621 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.941 -11.058 -1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.631 -9.588 -0.057 1.00 0.00 H new ATOM 419 N GLU A 28 -5.210 -5.269 2.455 1.00 0.00 N ATOM 420 CA GLU A 28 -4.533 -4.496 3.482 1.00 0.00 C ATOM 421 C GLU A 28 -3.226 -5.174 3.904 1.00 0.00 C ATOM 422 O GLU A 28 -2.175 -4.538 3.972 1.00 0.00 O ATOM 423 CB GLU A 28 -5.453 -4.319 4.686 1.00 0.00 C ATOM 424 CG GLU A 28 -6.121 -2.955 4.748 1.00 0.00 C ATOM 425 CD GLU A 28 -5.712 -2.166 5.973 1.00 0.00 C ATOM 426 OE1 GLU A 28 -4.555 -1.701 6.027 1.00 0.00 O ATOM 427 OE2 GLU A 28 -6.541 -2.001 6.890 1.00 0.00 O ATOM 0 H GLU A 28 -6.124 -5.627 2.731 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.287 -3.516 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.223 -5.090 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.877 -4.474 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.866 -2.388 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.203 -3.083 4.747 1.00 0.00 H new ATOM 434 N ASP A 29 -3.305 -6.461 4.209 1.00 0.00 N ATOM 435 CA ASP A 29 -2.156 -7.218 4.663 1.00 0.00 C ATOM 436 C ASP A 29 -1.419 -7.874 3.498 1.00 0.00 C ATOM 437 O ASP A 29 -0.442 -8.598 3.690 1.00 0.00 O ATOM 438 CB ASP A 29 -2.614 -8.269 5.681 1.00 0.00 C ATOM 439 CG ASP A 29 -3.082 -9.574 5.054 1.00 0.00 C ATOM 440 OD1 ASP A 29 -4.286 -9.693 4.742 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.257 -10.498 4.894 1.00 0.00 O ATOM 0 H ASP A 29 -4.166 -7.005 4.148 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.453 -6.534 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.792 -8.480 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.426 -7.853 6.278 1.00 0.00 H new ATOM 446 N CYS A 30 -1.869 -7.590 2.288 1.00 0.00 N ATOM 447 CA CYS A 30 -1.268 -8.175 1.100 1.00 0.00 C ATOM 448 C CYS A 30 -0.161 -7.303 0.528 1.00 0.00 C ATOM 449 O CYS A 30 0.886 -7.810 0.114 1.00 0.00 O ATOM 450 CB CYS A 30 -2.340 -8.443 0.055 1.00 0.00 C ATOM 451 SG CYS A 30 -3.022 -10.123 0.198 1.00 0.00 S ATOM 0 H CYS A 30 -2.648 -6.958 2.101 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.807 -9.119 1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.143 -7.715 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.919 -8.306 -0.941 1.00 0.00 H new ATOM 456 N LEU A 31 -0.388 -6.005 0.493 1.00 0.00 N ATOM 457 CA LEU A 31 0.623 -5.074 0.008 1.00 0.00 C ATOM 458 C LEU A 31 1.730 -4.904 1.045 1.00 0.00 C ATOM 459 O LEU A 31 1.732 -3.956 1.830 1.00 0.00 O ATOM 460 CB LEU A 31 0.002 -3.720 -0.336 1.00 0.00 C ATOM 461 CG LEU A 31 0.269 -3.233 -1.762 1.00 0.00 C ATOM 462 CD1 LEU A 31 -0.214 -1.806 -1.937 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.751 -3.338 -2.101 1.00 0.00 C ATOM 0 H LEU A 31 -1.259 -5.568 0.793 1.00 0.00 H new ATOM 0 HA LEU A 31 1.056 -5.488 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.076 -3.782 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.380 -2.975 0.364 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.285 -3.873 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.016 -1.477 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.285 -1.758 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.311 -1.156 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.917 -2.986 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.327 -2.726 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.070 -4.377 -2.019 1.00 0.00 H new ATOM 475 N SER A 32 2.637 -5.866 1.068 1.00 0.00 N ATOM 476 CA SER A 32 3.735 -5.867 2.014 1.00 0.00 C ATOM 477 C SER A 32 5.062 -5.623 1.302 1.00 0.00 C ATOM 478 O SER A 32 5.147 -5.704 0.072 1.00 0.00 O ATOM 479 CB SER A 32 3.776 -7.200 2.759 1.00 0.00 C ATOM 480 OG SER A 32 2.464 -7.695 2.981 1.00 0.00 O ATOM 0 H SER A 32 2.632 -6.664 0.433 1.00 0.00 H new ATOM 0 HA SER A 32 3.577 -5.060 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.351 -7.926 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.288 -7.073 3.713 1.00 0.00 H new ATOM 0 HG SER A 32 2.513 -8.550 3.458 1.00 0.00 H new ATOM 486 N CYS A 33 6.088 -5.305 2.079 1.00 0.00 N ATOM 487 CA CYS A 33 7.406 -5.041 1.545 1.00 0.00 C ATOM 488 C CYS A 33 8.100 -6.327 1.114 1.00 0.00 C ATOM 489 O CYS A 33 7.735 -7.424 1.547 1.00 0.00 O ATOM 490 CB CYS A 33 8.246 -4.340 2.601 1.00 0.00 C ATOM 491 SG CYS A 33 8.335 -2.535 2.422 1.00 0.00 S ATOM 0 H CYS A 33 6.025 -5.224 3.094 1.00 0.00 H new ATOM 0 HA CYS A 33 7.297 -4.405 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.839 -4.575 3.585 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.257 -4.745 2.570 1.00 0.00 H new ATOM 496 N ASP A 34 9.155 -6.169 0.333 1.00 0.00 N ATOM 497 CA ASP A 34 9.977 -7.294 -0.088 1.00 0.00 C ATOM 498 C ASP A 34 10.858 -7.747 1.059 1.00 0.00 C ATOM 499 O ASP A 34 10.945 -8.932 1.368 1.00 0.00 O ATOM 500 CB ASP A 34 10.855 -6.901 -1.275 1.00 0.00 C ATOM 501 CG ASP A 34 11.455 -8.100 -1.981 1.00 0.00 C ATOM 502 OD1 ASP A 34 10.705 -8.828 -2.659 1.00 0.00 O ATOM 503 OD2 ASP A 34 12.680 -8.319 -1.861 1.00 0.00 O ATOM 0 H ASP A 34 9.465 -5.266 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 34 9.318 -8.109 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.262 -6.325 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.657 -6.250 -0.928 1.00 0.00 H new ATOM 508 N LEU A 35 11.524 -6.786 1.676 1.00 0.00 N ATOM 509 CA LEU A 35 12.428 -7.077 2.778 1.00 0.00 C ATOM 510 C LEU A 35 11.728 -6.930 4.123 1.00 0.00 C ATOM 511 O LEU A 35 11.654 -7.887 4.894 1.00 0.00 O ATOM 512 CB LEU A 35 13.636 -6.151 2.720 1.00 0.00 C ATOM 513 CG LEU A 35 14.791 -6.536 3.641 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.497 -7.779 3.121 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.773 -5.383 3.772 1.00 0.00 C ATOM 0 H LEU A 35 11.457 -5.798 1.434 1.00 0.00 H new ATOM 0 HA LEU A 35 12.757 -8.111 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.004 -6.122 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.313 -5.141 2.971 1.00 0.00 H new ATOM 0 HG LEU A 35 14.385 -6.758 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.317 -8.038 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.790 -8.607 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.891 -7.583 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.590 -5.674 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.172 -5.132 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.262 -4.515 4.189 1.00 0.00 H new ATOM 527 N CYS A 36 11.252 -5.721 4.410 1.00 0.00 N ATOM 528 CA CYS A 36 10.581 -5.430 5.673 1.00 0.00 C ATOM 529 C CYS A 36 9.410 -6.378 5.908 1.00 0.00 C ATOM 530 O CYS A 36 9.407 -7.166 6.852 1.00 0.00 O ATOM 531 CB CYS A 36 10.082 -3.984 5.671 1.00 0.00 C ATOM 532 SG CYS A 36 11.292 -2.785 5.024 1.00 0.00 S ATOM 0 H CYS A 36 11.320 -4.922 3.779 1.00 0.00 H new ATOM 0 HA CYS A 36 11.300 -5.571 6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.172 -3.925 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.814 -3.701 6.689 1.00 0.00 H new ATOM 537 N GLY A 37 8.433 -6.307 5.022 1.00 0.00 N ATOM 538 CA GLY A 37 7.272 -7.174 5.114 1.00 0.00 C ATOM 539 C GLY A 37 6.188 -6.618 6.018 1.00 0.00 C ATOM 540 O GLY A 37 5.075 -7.146 6.060 1.00 0.00 O ATOM 0 H GLY A 37 8.420 -5.660 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.861 -7.329 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.583 -8.150 5.486 1.00 0.00 H new ATOM 544 N CYS A 38 6.518 -5.578 6.771 1.00 0.00 N ATOM 545 CA CYS A 38 5.576 -4.981 7.709 1.00 0.00 C ATOM 546 C CYS A 38 4.634 -4.014 6.992 1.00 0.00 C ATOM 547 O CYS A 38 3.524 -4.392 6.608 1.00 0.00 O ATOM 548 CB CYS A 38 6.342 -4.270 8.825 1.00 0.00 C ATOM 549 SG CYS A 38 8.040 -4.861 9.025 1.00 0.00 S ATOM 0 H CYS A 38 7.434 -5.129 6.751 1.00 0.00 H new ATOM 0 HA CYS A 38 4.966 -5.771 8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.360 -3.200 8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.806 -4.404 9.765 1.00 0.00 H new ATOM 0 HG CYS A 38 8.617 -4.206 9.988 1.00 0.00 H new ATOM 555 N ARG A 39 5.091 -2.791 6.764 1.00 0.00 N ATOM 556 CA ARG A 39 4.301 -1.810 6.035 1.00 0.00 C ATOM 557 C ARG A 39 5.163 -1.124 4.987 1.00 0.00 C ATOM 558 O ARG A 39 6.343 -1.442 4.849 1.00 0.00 O ATOM 559 CB ARG A 39 3.696 -0.783 6.992 1.00 0.00 C ATOM 560 CG ARG A 39 2.198 -0.948 7.197 1.00 0.00 C ATOM 561 CD ARG A 39 1.461 -1.048 5.872 1.00 0.00 C ATOM 562 NE ARG A 39 0.298 -1.930 5.950 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.956 -1.506 6.094 1.00 0.00 C ATOM 564 NH1 ARG A 39 -1.221 -0.208 6.205 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.945 -2.389 6.121 1.00 0.00 N ATOM 0 H ARG A 39 6.003 -2.455 7.073 1.00 0.00 H new ATOM 0 HA ARG A 39 3.482 -2.325 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.197 -0.860 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.893 0.218 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.007 -1.843 7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.812 -0.102 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.140 -0.054 5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.143 -1.417 5.106 1.00 0.00 H new ATOM 0 HE ARG A 39 0.457 -2.936 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.461 0.472 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.184 0.108 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.742 -3.385 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.908 -2.073 6.231 1.00 0.00 H new ATOM 579 N LEU A 40 4.559 -0.242 4.203 1.00 0.00 N ATOM 580 CA LEU A 40 5.273 0.402 3.107 1.00 0.00 C ATOM 581 C LEU A 40 5.875 1.729 3.548 1.00 0.00 C ATOM 582 O LEU A 40 6.956 2.114 3.100 1.00 0.00 O ATOM 583 CB LEU A 40 4.343 0.621 1.913 1.00 0.00 C ATOM 584 CG LEU A 40 3.642 -0.635 1.390 1.00 0.00 C ATOM 585 CD1 LEU A 40 3.095 -0.395 -0.007 1.00 0.00 C ATOM 586 CD2 LEU A 40 4.584 -1.828 1.392 1.00 0.00 C ATOM 0 H LEU A 40 3.585 0.043 4.303 1.00 0.00 H new ATOM 0 HA LEU A 40 6.085 -0.260 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.583 1.350 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.921 1.060 1.099 1.00 0.00 H new ATOM 0 HG LEU A 40 2.810 -0.860 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.600 -1.298 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.378 0.426 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.914 -0.140 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.060 -2.706 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.441 -1.616 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.928 -2.019 2.409 1.00 0.00 H new ATOM 598 N GLY A 41 5.143 2.447 4.383 1.00 0.00 N ATOM 599 CA GLY A 41 5.586 3.748 4.836 1.00 0.00 C ATOM 600 C GLY A 41 4.432 4.717 4.907 1.00 0.00 C ATOM 601 O GLY A 41 4.259 5.414 5.905 1.00 0.00 O ATOM 0 H GLY A 41 4.242 2.149 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.050 3.657 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.348 4.133 4.158 1.00 0.00 H new ATOM 605 N GLU A 42 3.582 4.665 3.885 1.00 0.00 N ATOM 606 CA GLU A 42 2.339 5.430 3.845 1.00 0.00 C ATOM 607 C GLU A 42 2.577 6.933 3.995 1.00 0.00 C ATOM 608 O GLU A 42 1.689 7.667 4.432 1.00 0.00 O ATOM 609 CB GLU A 42 1.389 4.937 4.937 1.00 0.00 C ATOM 610 CG GLU A 42 0.658 3.660 4.570 1.00 0.00 C ATOM 611 CD GLU A 42 1.211 2.443 5.286 1.00 0.00 C ATOM 612 OE1 GLU A 42 2.390 2.088 5.051 1.00 0.00 O ATOM 613 OE2 GLU A 42 0.469 1.834 6.082 1.00 0.00 O ATOM 0 H GLU A 42 3.737 4.089 3.058 1.00 0.00 H new ATOM 0 HA GLU A 42 1.889 5.271 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.956 4.772 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.658 5.717 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.399 3.769 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.725 3.505 3.493 1.00 0.00 H new ATOM 620 N VAL A 43 3.746 7.393 3.576 1.00 0.00 N ATOM 621 CA VAL A 43 4.068 8.810 3.636 1.00 0.00 C ATOM 622 C VAL A 43 4.810 9.245 2.373 1.00 0.00 C ATOM 623 O VAL A 43 6.000 8.972 2.200 1.00 0.00 O ATOM 624 CB VAL A 43 4.891 9.153 4.908 1.00 0.00 C ATOM 625 CG1 VAL A 43 6.075 8.206 5.081 1.00 0.00 C ATOM 626 CG2 VAL A 43 5.355 10.602 4.885 1.00 0.00 C ATOM 0 H VAL A 43 4.486 6.806 3.191 1.00 0.00 H new ATOM 0 HA VAL A 43 3.131 9.363 3.694 1.00 0.00 H new ATOM 0 HB VAL A 43 4.234 9.021 5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.628 8.476 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.712 7.182 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.732 8.283 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.929 10.815 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.981 10.770 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.488 11.261 4.843 1.00 0.00 H new ATOM 636 N GLY A 44 4.074 9.841 1.449 1.00 0.00 N ATOM 637 CA GLY A 44 4.655 10.252 0.190 1.00 0.00 C ATOM 638 C GLY A 44 3.606 10.428 -0.883 1.00 0.00 C ATOM 639 O GLY A 44 2.432 10.128 -0.663 1.00 0.00 O ATOM 0 H GLY A 44 3.080 10.048 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.194 11.189 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.384 9.509 -0.133 1.00 0.00 H new ATOM 643 N ARG A 45 4.011 10.942 -2.034 1.00 0.00 N ATOM 644 CA ARG A 45 3.082 11.172 -3.132 1.00 0.00 C ATOM 645 C ARG A 45 3.358 10.210 -4.293 1.00 0.00 C ATOM 646 O ARG A 45 2.687 10.253 -5.326 1.00 0.00 O ATOM 647 CB ARG A 45 3.155 12.641 -3.584 1.00 0.00 C ATOM 648 CG ARG A 45 3.923 12.879 -4.880 1.00 0.00 C ATOM 649 CD ARG A 45 5.186 13.691 -4.652 1.00 0.00 C ATOM 650 NE ARG A 45 4.963 14.835 -3.768 1.00 0.00 N ATOM 651 CZ ARG A 45 5.913 15.377 -3.011 1.00 0.00 C ATOM 652 NH1 ARG A 45 7.148 14.890 -3.040 1.00 0.00 N ATOM 653 NH2 ARG A 45 5.630 16.407 -2.224 1.00 0.00 N ATOM 0 H ARG A 45 4.975 11.208 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 45 2.068 10.974 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.140 13.019 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.620 13.227 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.184 11.920 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.281 13.399 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.955 13.049 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.565 14.045 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 45 4.027 15.239 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.370 14.098 -3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.875 15.307 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.683 16.784 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.360 16.821 -1.644 1.00 0.00 H new ATOM 667 N ARG A 46 4.315 9.307 -4.096 1.00 0.00 N ATOM 668 CA ARG A 46 4.654 8.316 -5.112 1.00 0.00 C ATOM 669 C ARG A 46 4.683 6.907 -4.524 1.00 0.00 C ATOM 670 O ARG A 46 4.713 6.734 -3.305 1.00 0.00 O ATOM 671 CB ARG A 46 6.015 8.634 -5.736 1.00 0.00 C ATOM 672 CG ARG A 46 6.135 10.056 -6.253 1.00 0.00 C ATOM 673 CD ARG A 46 6.771 10.096 -7.635 1.00 0.00 C ATOM 674 NE ARG A 46 5.790 9.890 -8.698 1.00 0.00 N ATOM 675 CZ ARG A 46 5.107 10.870 -9.285 1.00 0.00 C ATOM 676 NH1 ARG A 46 5.346 12.138 -8.970 1.00 0.00 N ATOM 677 NH2 ARG A 46 4.201 10.576 -10.206 1.00 0.00 N ATOM 0 H ARG A 46 4.869 9.242 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 46 3.883 8.357 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.794 8.460 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.198 7.942 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.147 10.514 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.733 10.647 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.264 11.057 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.543 9.329 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 46 5.618 8.934 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.057 12.366 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.819 12.884 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.030 9.603 -10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.674 11.322 -10.660 1.00 0.00 H new ATOM 691 N LEU A 47 4.788 5.921 -5.405 1.00 0.00 N ATOM 692 CA LEU A 47 4.949 4.530 -5.015 1.00 0.00 C ATOM 693 C LEU A 47 5.932 3.875 -5.964 1.00 0.00 C ATOM 694 O LEU A 47 5.761 3.929 -7.186 1.00 0.00 O ATOM 695 CB LEU A 47 3.615 3.772 -5.047 1.00 0.00 C ATOM 696 CG LEU A 47 3.587 2.458 -4.248 1.00 0.00 C ATOM 697 CD1 LEU A 47 2.157 2.065 -3.930 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.276 1.332 -5.007 1.00 0.00 C ATOM 0 H LEU A 47 4.764 6.066 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 47 5.320 4.496 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.834 4.428 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.365 3.552 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 47 4.130 2.624 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.153 1.133 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.687 2.851 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.602 1.928 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.239 0.418 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.768 1.170 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.316 1.601 -5.193 1.00 0.00 H new ATOM 710 N TYR A 48 7.002 3.349 -5.415 1.00 0.00 N ATOM 711 CA TYR A 48 8.058 2.786 -6.221 1.00 0.00 C ATOM 712 C TYR A 48 8.367 1.351 -5.797 1.00 0.00 C ATOM 713 O TYR A 48 8.306 1.015 -4.616 1.00 0.00 O ATOM 714 CB TYR A 48 9.294 3.694 -6.130 1.00 0.00 C ATOM 715 CG TYR A 48 10.549 3.025 -5.629 1.00 0.00 C ATOM 716 CD1 TYR A 48 11.362 2.316 -6.500 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.923 3.107 -4.292 1.00 0.00 C ATOM 718 CE1 TYR A 48 12.513 1.704 -6.059 1.00 0.00 C ATOM 719 CE2 TYR A 48 12.075 2.496 -3.845 1.00 0.00 C ATOM 720 CZ TYR A 48 12.864 1.794 -4.732 1.00 0.00 C ATOM 721 OH TYR A 48 14.012 1.188 -4.291 1.00 0.00 O ATOM 0 H TYR A 48 7.164 3.300 -4.409 1.00 0.00 H new ATOM 0 HA TYR A 48 7.738 2.737 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.493 4.109 -7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.061 4.532 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.087 2.243 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.304 3.655 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.137 1.157 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.358 2.567 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 48 14.481 1.787 -3.673 1.00 0.00 H new ATOM 731 N TYR A 49 8.705 0.523 -6.773 1.00 0.00 N ATOM 732 CA TYR A 49 9.105 -0.856 -6.532 1.00 0.00 C ATOM 733 C TYR A 49 10.153 -1.249 -7.571 1.00 0.00 C ATOM 734 O TYR A 49 10.277 -0.593 -8.605 1.00 0.00 O ATOM 735 CB TYR A 49 7.892 -1.800 -6.566 1.00 0.00 C ATOM 736 CG TYR A 49 7.248 -1.957 -7.926 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.288 -1.054 -8.362 1.00 0.00 C ATOM 738 CD2 TYR A 49 7.590 -3.011 -8.766 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.687 -1.194 -9.596 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.994 -3.156 -10.003 1.00 0.00 C ATOM 741 CZ TYR A 49 6.044 -2.244 -10.412 1.00 0.00 C ATOM 742 OH TYR A 49 5.439 -2.388 -11.641 1.00 0.00 O ATOM 0 H TYR A 49 8.710 0.788 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 49 9.538 -0.943 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.204 -2.782 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.143 -1.432 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.007 -0.228 -7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.333 -3.727 -8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.941 -0.484 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.270 -3.978 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 49 5.803 -3.177 -12.094 1.00 0.00 H new ATOM 752 N LYS A 50 10.961 -2.251 -7.263 1.00 0.00 N ATOM 753 CA LYS A 50 12.053 -2.652 -8.142 1.00 0.00 C ATOM 754 C LYS A 50 11.561 -3.600 -9.236 1.00 0.00 C ATOM 755 O LYS A 50 10.392 -3.977 -9.259 1.00 0.00 O ATOM 756 CB LYS A 50 13.189 -3.289 -7.334 1.00 0.00 C ATOM 757 CG LYS A 50 14.563 -2.717 -7.657 1.00 0.00 C ATOM 758 CD LYS A 50 14.642 -1.231 -7.346 1.00 0.00 C ATOM 759 CE LYS A 50 16.066 -0.711 -7.465 1.00 0.00 C ATOM 760 NZ LYS A 50 16.137 0.543 -8.260 1.00 0.00 N ATOM 0 H LYS A 50 10.883 -2.804 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 50 12.441 -1.757 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.989 -3.152 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.199 -4.363 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.322 -3.249 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.786 -2.880 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.994 -0.681 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.270 -1.049 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.471 -0.532 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.692 -1.472 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.125 0.863 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.775 0.367 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.561 1.278 -7.802 1.00 0.00 H new ATOM 774 N LEU A 51 12.446 -3.884 -10.185 1.00 0.00 N ATOM 775 CA LEU A 51 12.148 -4.685 -11.381 1.00 0.00 C ATOM 776 C LEU A 51 11.841 -6.149 -11.056 1.00 0.00 C ATOM 777 O LEU A 51 12.417 -7.067 -11.643 1.00 0.00 O ATOM 778 CB LEU A 51 13.317 -4.620 -12.386 1.00 0.00 C ATOM 779 CG LEU A 51 14.757 -4.566 -11.819 1.00 0.00 C ATOM 780 CD1 LEU A 51 15.157 -3.136 -11.497 1.00 0.00 C ATOM 781 CD2 LEU A 51 14.932 -5.462 -10.594 1.00 0.00 C ATOM 0 H LEU A 51 13.413 -3.560 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 51 11.252 -4.249 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.247 -5.491 -13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.171 -3.740 -13.013 1.00 0.00 H new ATOM 0 HG LEU A 51 15.419 -4.949 -12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.172 -3.123 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.114 -2.533 -12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.472 -2.725 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.958 -5.389 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.248 -5.142 -9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.715 -6.495 -10.865 1.00 0.00 H new ATOM 793 N GLY A 52 10.913 -6.351 -10.156 1.00 0.00 N ATOM 794 CA GLY A 52 10.509 -7.691 -9.784 1.00 0.00 C ATOM 795 C GLY A 52 10.373 -7.841 -8.290 1.00 0.00 C ATOM 796 O GLY A 52 10.024 -8.909 -7.790 1.00 0.00 O ATOM 0 H GLY A 52 10.420 -5.606 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.558 -7.930 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.241 -8.408 -10.156 1.00 0.00 H new ATOM 800 N ARG A 53 10.652 -6.766 -7.572 1.00 0.00 N ATOM 801 CA ARG A 53 10.558 -6.777 -6.124 1.00 0.00 C ATOM 802 C ARG A 53 9.779 -5.569 -5.641 1.00 0.00 C ATOM 803 O ARG A 53 10.211 -4.432 -5.822 1.00 0.00 O ATOM 804 CB ARG A 53 11.952 -6.782 -5.493 1.00 0.00 C ATOM 805 CG ARG A 53 12.891 -7.811 -6.096 1.00 0.00 C ATOM 806 CD ARG A 53 13.561 -8.654 -5.025 1.00 0.00 C ATOM 807 NE ARG A 53 13.525 -10.078 -5.351 1.00 0.00 N ATOM 808 CZ ARG A 53 13.220 -11.039 -4.480 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.910 -10.735 -3.226 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.212 -12.308 -4.868 1.00 0.00 N ATOM 0 H ARG A 53 10.946 -5.874 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 53 10.035 -7.684 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.394 -5.792 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.857 -6.972 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.335 -8.458 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.652 -7.305 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.596 -8.335 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.065 -8.488 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 53 13.748 -10.354 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.904 -9.761 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.677 -11.476 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.439 -12.548 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.979 -13.044 -4.201 1.00 0.00 H new ATOM 824 N LYS A 54 8.666 -5.816 -4.970 1.00 0.00 N ATOM 825 CA LYS A 54 7.872 -4.739 -4.397 1.00 0.00 C ATOM 826 C LYS A 54 8.465 -4.320 -3.060 1.00 0.00 C ATOM 827 O LYS A 54 7.864 -4.518 -2.003 1.00 0.00 O ATOM 828 CB LYS A 54 6.412 -5.169 -4.215 1.00 0.00 C ATOM 829 CG LYS A 54 5.879 -6.039 -5.341 1.00 0.00 C ATOM 830 CD LYS A 54 4.690 -6.869 -4.883 1.00 0.00 C ATOM 831 CE LYS A 54 5.007 -8.357 -4.903 1.00 0.00 C ATOM 832 NZ LYS A 54 4.788 -8.989 -3.575 1.00 0.00 N ATOM 0 H LYS A 54 8.291 -6.751 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 54 7.892 -3.892 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.318 -5.712 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.789 -4.278 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.584 -5.410 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.669 -6.699 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.404 -6.571 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.835 -6.669 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.383 -8.851 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.043 -8.503 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.015 -10.002 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.402 -8.535 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.793 -8.872 -3.295 1.00 0.00 H new ATOM 846 N LEU A 55 9.656 -3.760 -3.129 1.00 0.00 N ATOM 847 CA LEU A 55 10.378 -3.297 -1.957 1.00 0.00 C ATOM 848 C LEU A 55 10.192 -1.792 -1.794 1.00 0.00 C ATOM 849 O LEU A 55 9.715 -1.121 -2.713 1.00 0.00 O ATOM 850 CB LEU A 55 11.864 -3.667 -2.093 1.00 0.00 C ATOM 851 CG LEU A 55 12.771 -2.643 -2.794 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.202 -3.148 -2.824 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.292 -2.356 -4.206 1.00 0.00 C ATOM 0 H LEU A 55 10.155 -3.612 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 55 9.984 -3.781 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.262 -3.846 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.931 -4.609 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 55 12.728 -1.713 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.836 -2.415 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.556 -3.300 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.243 -4.092 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.955 -1.628 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.298 -3.278 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.279 -1.955 -4.172 1.00 0.00 H new ATOM 865 N CYS A 56 10.616 -1.249 -0.663 1.00 0.00 N ATOM 866 CA CYS A 56 10.552 0.186 -0.468 1.00 0.00 C ATOM 867 C CYS A 56 11.903 0.807 -0.732 1.00 0.00 C ATOM 868 O CYS A 56 12.844 0.136 -1.138 1.00 0.00 O ATOM 869 CB CYS A 56 10.080 0.566 0.938 1.00 0.00 C ATOM 870 SG CYS A 56 11.205 0.073 2.284 1.00 0.00 S ATOM 0 H CYS A 56 11.002 -1.774 0.122 1.00 0.00 H new ATOM 0 HA CYS A 56 9.818 0.571 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.939 1.646 0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.105 0.111 1.114 1.00 0.00 H new ATOM 875 N ARG A 57 11.990 2.087 -0.462 1.00 0.00 N ATOM 876 CA ARG A 57 13.236 2.814 -0.611 1.00 0.00 C ATOM 877 C ARG A 57 14.156 2.529 0.569 1.00 0.00 C ATOM 878 O ARG A 57 15.380 2.522 0.436 1.00 0.00 O ATOM 879 CB ARG A 57 12.951 4.309 -0.712 1.00 0.00 C ATOM 880 CG ARG A 57 14.103 5.186 -0.255 1.00 0.00 C ATOM 881 CD ARG A 57 14.662 5.997 -1.399 1.00 0.00 C ATOM 882 NE ARG A 57 14.713 7.420 -1.068 1.00 0.00 N ATOM 883 CZ ARG A 57 13.647 8.221 -1.057 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.504 7.832 -1.609 1.00 0.00 N ATOM 885 NH2 ARG A 57 13.747 9.445 -0.556 1.00 0.00 N ATOM 0 H ARG A 57 11.208 2.654 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 57 13.733 2.486 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.709 4.554 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.070 4.542 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.762 5.855 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.890 4.564 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.663 5.642 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.046 5.850 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 57 15.619 7.825 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.436 6.913 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.694 8.452 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.638 9.771 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.933 10.060 -0.546 1.00 0.00 H new ATOM 899 N ARG A 58 13.556 2.317 1.730 1.00 0.00 N ATOM 900 CA ARG A 58 14.319 2.115 2.952 1.00 0.00 C ATOM 901 C ARG A 58 14.950 0.733 2.980 1.00 0.00 C ATOM 902 O ARG A 58 16.137 0.590 3.286 1.00 0.00 O ATOM 903 CB ARG A 58 13.430 2.311 4.186 1.00 0.00 C ATOM 904 CG ARG A 58 12.604 3.592 4.176 1.00 0.00 C ATOM 905 CD ARG A 58 13.360 4.761 3.564 1.00 0.00 C ATOM 906 NE ARG A 58 13.915 5.647 4.579 1.00 0.00 N ATOM 907 CZ ARG A 58 13.908 6.974 4.489 1.00 0.00 C ATOM 908 NH1 ARG A 58 13.317 7.577 3.459 1.00 0.00 N ATOM 909 NH2 ARG A 58 14.463 7.703 5.446 1.00 0.00 N ATOM 0 H ARG A 58 12.544 2.280 1.852 1.00 0.00 H new ATOM 0 HA ARG A 58 15.116 2.858 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.755 1.459 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.060 2.307 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.684 3.424 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.315 3.843 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.165 4.382 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.690 5.327 2.917 1.00 0.00 H new ATOM 0 HE ARG A 58 14.334 5.225 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.866 7.021 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.315 8.595 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.894 7.246 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.459 8.721 5.379 1.00 0.00 H new ATOM 923 N ASP A 59 14.174 -0.281 2.615 1.00 0.00 N ATOM 924 CA ASP A 59 14.687 -1.643 2.581 1.00 0.00 C ATOM 925 C ASP A 59 15.488 -1.886 1.303 1.00 0.00 C ATOM 926 O ASP A 59 16.263 -2.839 1.216 1.00 0.00 O ATOM 927 CB ASP A 59 13.558 -2.679 2.787 1.00 0.00 C ATOM 928 CG ASP A 59 12.699 -2.991 1.563 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.255 -3.184 0.463 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.460 -3.149 1.717 1.00 0.00 O ATOM 0 H ASP A 59 13.196 -0.187 2.341 1.00 0.00 H new ATOM 0 HA ASP A 59 15.374 -1.774 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.006 -3.609 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.904 -2.320 3.582 1.00 0.00 H new ATOM 935 N TYR A 60 15.425 -0.922 0.390 1.00 0.00 N ATOM 936 CA TYR A 60 16.272 -0.936 -0.795 1.00 0.00 C ATOM 937 C TYR A 60 17.659 -0.443 -0.416 1.00 0.00 C ATOM 938 O TYR A 60 18.671 -0.995 -0.853 1.00 0.00 O ATOM 939 CB TYR A 60 15.655 -0.061 -1.899 1.00 0.00 C ATOM 940 CG TYR A 60 16.637 0.759 -2.712 1.00 0.00 C ATOM 941 CD1 TYR A 60 17.219 0.242 -3.864 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.962 2.061 -2.338 1.00 0.00 C ATOM 943 CE1 TYR A 60 18.107 0.995 -4.611 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.845 2.815 -3.080 1.00 0.00 C ATOM 945 CZ TYR A 60 18.414 2.283 -4.213 1.00 0.00 C ATOM 946 OH TYR A 60 19.291 3.041 -4.954 1.00 0.00 O ATOM 0 H TYR A 60 14.796 -0.121 0.449 1.00 0.00 H new ATOM 0 HA TYR A 60 16.351 -1.952 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.097 -0.705 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.936 0.617 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.974 -0.761 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.515 2.486 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.558 0.579 -5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.089 3.821 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 60 19.396 3.922 -4.537 1.00 0.00 H new ATOM 956 N LEU A 61 17.689 0.577 0.440 1.00 0.00 N ATOM 957 CA LEU A 61 18.933 1.132 0.931 1.00 0.00 C ATOM 958 C LEU A 61 19.611 0.139 1.866 1.00 0.00 C ATOM 959 O LEU A 61 20.703 -0.345 1.585 1.00 0.00 O ATOM 960 CB LEU A 61 18.656 2.448 1.662 1.00 0.00 C ATOM 961 CG LEU A 61 19.641 3.584 1.383 1.00 0.00 C ATOM 962 CD1 LEU A 61 20.682 3.659 2.486 1.00 0.00 C ATOM 963 CD2 LEU A 61 20.299 3.406 0.024 1.00 0.00 C ATOM 0 H LEU A 61 16.854 1.034 0.806 1.00 0.00 H new ATOM 0 HA LEU A 61 19.598 1.328 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.655 2.787 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.651 2.252 2.734 1.00 0.00 H new ATOM 0 HG LEU A 61 19.091 4.525 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.377 4.472 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 61 20.188 3.842 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.229 2.717 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.996 4.225 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.839 2.460 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.535 3.405 -0.753 1.00 0.00 H new ATOM 975 N ARG A 62 18.892 -0.234 2.914 1.00 0.00 N ATOM 976 CA ARG A 62 19.344 -1.250 3.844 1.00 0.00 C ATOM 977 C ARG A 62 18.150 -1.745 4.661 1.00 0.00 C ATOM 978 O ARG A 62 17.329 -2.503 4.157 1.00 0.00 O ATOM 979 CB ARG A 62 20.451 -0.701 4.749 1.00 0.00 C ATOM 980 CG ARG A 62 21.287 -1.785 5.417 1.00 0.00 C ATOM 981 CD ARG A 62 22.330 -2.353 4.470 1.00 0.00 C ATOM 982 NE ARG A 62 23.225 -1.312 3.966 1.00 0.00 N ATOM 983 CZ ARG A 62 23.569 -1.182 2.686 1.00 0.00 C ATOM 984 NH1 ARG A 62 23.126 -2.051 1.784 1.00 0.00 N ATOM 985 NH2 ARG A 62 24.360 -0.189 2.305 1.00 0.00 N ATOM 0 H ARG A 62 17.979 0.161 3.141 1.00 0.00 H new ATOM 0 HA ARG A 62 19.766 -2.090 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 62 21.106 -0.060 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 62 20.002 -0.074 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 62 21.780 -1.373 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 62 20.634 -2.587 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 62 22.913 -3.116 4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 62 21.833 -2.843 3.633 1.00 0.00 H new ATOM 0 HE ARG A 62 23.609 -0.645 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.521 -2.820 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 62 23.391 -1.949 0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 62 24.708 0.479 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 62 24.621 -0.093 1.324 1.00 0.00 H new ATOM 999 N LEU A 63 17.997 -1.239 5.876 1.00 0.00 N ATOM 1000 CA LEU A 63 16.859 -1.575 6.696 1.00 0.00 C ATOM 1001 C LEU A 63 15.891 -0.396 6.757 1.00 0.00 C ATOM 1002 O LEU A 63 14.694 -0.551 6.519 1.00 0.00 O ATOM 1003 CB LEU A 63 17.306 -2.030 8.101 1.00 0.00 C ATOM 1004 CG LEU A 63 18.188 -1.086 8.967 1.00 0.00 C ATOM 1005 CD1 LEU A 63 19.261 -0.332 8.195 1.00 0.00 C ATOM 1006 CD2 LEU A 63 17.333 -0.126 9.768 1.00 0.00 C ATOM 0 H LEU A 63 18.654 -0.592 6.311 1.00 0.00 H new ATOM 0 HA LEU A 63 16.333 -2.416 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 63 16.406 -2.253 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 63 17.849 -2.968 7.983 1.00 0.00 H new ATOM 0 HG LEU A 63 18.728 -1.747 9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 63 19.825 0.300 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.935 -1.044 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 63 18.792 0.289 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.975 0.522 10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.734 0.481 9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.673 -0.690 10.428 1.00 0.00 H new ATOM 1018 N GLY A 64 16.422 0.778 7.072 1.00 0.00 N ATOM 1019 CA GLY A 64 15.596 1.970 7.158 1.00 0.00 C ATOM 1020 C GLY A 64 16.121 3.107 6.307 1.00 0.00 C ATOM 1021 O GLY A 64 15.539 4.192 6.302 1.00 0.00 O ATOM 0 H GLY A 64 17.411 0.928 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.580 1.727 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.541 2.295 8.197 1.00 0.00 H new ATOM 1025 N GLY A 65 17.151 2.795 5.511 1.00 0.00 N ATOM 1026 CA GLY A 65 17.796 3.742 4.593 1.00 0.00 C ATOM 1027 C GLY A 65 17.696 5.213 4.967 1.00 0.00 C ATOM 1028 O GLY A 65 17.415 6.056 4.118 1.00 0.00 O ATOM 0 H GLY A 65 17.566 1.864 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.851 3.479 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 65 17.361 3.610 3.603 1.00 0.00 H new ATOM 1032 N SER A 66 17.906 5.513 6.235 1.00 0.00 N ATOM 1033 CA SER A 66 17.836 6.881 6.720 1.00 0.00 C ATOM 1034 C SER A 66 19.055 7.681 6.270 1.00 0.00 C ATOM 1035 O SER A 66 18.933 8.813 5.799 1.00 0.00 O ATOM 1036 CB SER A 66 17.737 6.877 8.243 1.00 0.00 C ATOM 1037 OG SER A 66 17.611 5.552 8.735 1.00 0.00 O ATOM 0 H SER A 66 18.128 4.823 6.953 1.00 0.00 H new ATOM 0 HA SER A 66 16.949 7.357 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.623 7.346 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.878 7.470 8.558 1.00 0.00 H new ATOM 0 HG SER A 66 17.551 5.571 9.713 1.00 0.00 H new ATOM 1043 N GLY A 67 20.224 7.085 6.419 1.00 0.00 N ATOM 1044 CA GLY A 67 21.450 7.753 6.036 1.00 0.00 C ATOM 1045 C GLY A 67 22.428 6.822 5.351 1.00 0.00 C ATOM 1046 O GLY A 67 23.362 7.272 4.684 1.00 0.00 O ATOM 0 H GLY A 67 20.348 6.147 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.215 8.582 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.920 8.180 6.922 1.00 0.00 H new ATOM 1050 N GLY A 68 22.246 5.524 5.553 1.00 0.00 N ATOM 1051 CA GLY A 68 23.138 4.546 4.965 1.00 0.00 C ATOM 1052 C GLY A 68 24.387 4.333 5.794 1.00 0.00 C ATOM 1053 O GLY A 68 24.567 3.281 6.408 1.00 0.00 O ATOM 0 H GLY A 68 21.493 5.130 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 68 22.612 3.598 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 68 23.421 4.871 3.964 1.00 0.00 H new ATOM 1057 N HIS A 69 25.243 5.339 5.824 1.00 0.00 N ATOM 1058 CA HIS A 69 26.480 5.274 6.587 1.00 0.00 C ATOM 1059 C HIS A 69 26.718 6.584 7.318 1.00 0.00 C ATOM 1060 O HIS A 69 26.839 6.614 8.542 1.00 0.00 O ATOM 1061 CB HIS A 69 27.660 4.984 5.662 1.00 0.00 C ATOM 1062 CG HIS A 69 28.642 4.007 6.225 1.00 0.00 C ATOM 1063 ND1 HIS A 69 29.990 4.134 5.991 1.00 0.00 N ATOM 1064 CD2 HIS A 69 28.427 2.912 6.994 1.00 0.00 C ATOM 1065 CE1 HIS A 69 30.561 3.120 6.618 1.00 0.00 C ATOM 1066 NE2 HIS A 69 29.655 2.352 7.238 1.00 0.00 N ATOM 0 H HIS A 69 25.104 6.218 5.325 1.00 0.00 H new ATOM 0 HA HIS A 69 26.391 4.468 7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 69 27.281 4.600 4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 69 28.176 5.919 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 69 27.473 2.550 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 69 31.625 2.934 6.629 1.00 0.00 H new ATOM 0 HE2 HIS A 69 29.842 1.512 7.786 1.00 0.00 H new ATOM 1074 N MET A 70 26.793 7.664 6.557 1.00 0.00 N ATOM 1075 CA MET A 70 27.030 8.982 7.127 1.00 0.00 C ATOM 1076 C MET A 70 25.763 9.524 7.776 1.00 0.00 C ATOM 1077 O MET A 70 25.665 9.607 9.001 1.00 0.00 O ATOM 1078 CB MET A 70 27.523 9.955 6.055 1.00 0.00 C ATOM 1079 CG MET A 70 28.753 9.473 5.308 1.00 0.00 C ATOM 1080 SD MET A 70 29.621 10.808 4.469 1.00 0.00 S ATOM 1081 CE MET A 70 28.662 10.928 2.962 1.00 0.00 C ATOM 0 H MET A 70 26.693 7.655 5.542 1.00 0.00 H new ATOM 0 HA MET A 70 27.801 8.883 7.891 1.00 0.00 H new ATOM 0 HB2 MET A 70 26.720 10.129 5.339 1.00 0.00 H new ATOM 0 HB3 MET A 70 27.746 10.914 6.523 1.00 0.00 H new ATOM 0 HG2 MET A 70 29.432 8.987 6.009 1.00 0.00 H new ATOM 0 HG3 MET A 70 28.458 8.721 4.577 1.00 0.00 H new ATOM 0 HE1 MET A 70 29.041 11.750 2.354 1.00 0.00 H new ATOM 0 HE2 MET A 70 28.744 9.996 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 70 27.617 11.112 3.210 1.00 0.00 H new ATOM 1091 N GLY A 71 24.791 9.875 6.949 1.00 0.00 N ATOM 1092 CA GLY A 71 23.545 10.406 7.455 1.00 0.00 C ATOM 1093 C GLY A 71 22.831 11.251 6.426 1.00 0.00 C ATOM 1094 O GLY A 71 21.725 10.926 6.008 1.00 0.00 O ATOM 0 H GLY A 71 24.844 9.801 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.898 9.584 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.741 11.006 8.344 1.00 0.00 H new ATOM 1098 N SER A 72 23.482 12.312 5.983 1.00 0.00 N ATOM 1099 CA SER A 72 22.918 13.181 4.965 1.00 0.00 C ATOM 1100 C SER A 72 23.812 13.189 3.731 1.00 0.00 C ATOM 1101 O SER A 72 24.450 14.197 3.414 1.00 0.00 O ATOM 1102 CB SER A 72 22.747 14.599 5.517 1.00 0.00 C ATOM 1103 OG SER A 72 22.823 14.610 6.936 1.00 0.00 O ATOM 0 H SER A 72 24.405 12.593 6.314 1.00 0.00 H new ATOM 0 HA SER A 72 21.937 12.802 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 72 23.519 15.249 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.786 15.003 5.198 1.00 0.00 H new ATOM 0 HG SER A 72 22.712 15.527 7.262 1.00 0.00 H new ATOM 1109 N GLY A 73 23.904 12.031 3.085 1.00 0.00 N ATOM 1110 CA GLY A 73 24.749 11.878 1.918 1.00 0.00 C ATOM 1111 C GLY A 73 24.377 12.830 0.803 1.00 0.00 C ATOM 1112 O GLY A 73 23.318 12.695 0.181 1.00 0.00 O ATOM 0 H GLY A 73 23.400 11.186 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 25.788 12.045 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 73 24.678 10.853 1.554 1.00 0.00 H new ATOM 1116 N GLY A 74 25.242 13.801 0.576 1.00 0.00 N ATOM 1117 CA GLY A 74 25.027 14.786 -0.455 1.00 0.00 C ATOM 1118 C GLY A 74 26.308 15.523 -0.762 1.00 0.00 C ATOM 1119 O GLY A 74 27.295 14.908 -1.162 1.00 0.00 O ATOM 0 H GLY A 74 26.108 13.925 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 74 24.655 14.300 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 74 24.262 15.493 -0.136 1.00 0.00 H new ATOM 1123 N ASP A 75 26.353 16.800 -0.419 1.00 0.00 N ATOM 1124 CA ASP A 75 27.582 17.567 -0.547 1.00 0.00 C ATOM 1125 C ASP A 75 28.463 17.344 0.676 1.00 0.00 C ATOM 1126 O ASP A 75 28.286 17.987 1.713 1.00 0.00 O ATOM 1127 CB ASP A 75 27.274 19.055 -0.714 1.00 0.00 C ATOM 1128 CG ASP A 75 28.511 19.864 -1.041 1.00 0.00 C ATOM 1129 OD1 ASP A 75 29.288 19.443 -1.923 1.00 0.00 O ATOM 1130 OD2 ASP A 75 28.718 20.927 -0.414 1.00 0.00 O ATOM 0 H ASP A 75 25.559 17.325 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 75 28.114 17.226 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.538 19.185 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.825 19.436 0.203 1.00 0.00 H new ATOM 1135 N VAL A 76 29.367 16.381 0.565 1.00 0.00 N ATOM 1136 CA VAL A 76 30.244 16.006 1.669 1.00 0.00 C ATOM 1137 C VAL A 76 31.662 15.785 1.152 1.00 0.00 C ATOM 1138 O VAL A 76 31.866 15.650 -0.054 1.00 0.00 O ATOM 1139 CB VAL A 76 29.762 14.714 2.385 1.00 0.00 C ATOM 1140 CG1 VAL A 76 30.261 14.669 3.820 1.00 0.00 C ATOM 1141 CG2 VAL A 76 28.245 14.595 2.360 1.00 0.00 C ATOM 0 H VAL A 76 29.514 15.839 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 76 30.223 16.823 2.390 1.00 0.00 H new ATOM 0 HB VAL A 76 30.181 13.868 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 76 29.910 13.755 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 76 31.351 14.687 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 76 29.881 15.533 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 76 27.943 13.680 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 76 27.804 15.454 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 76 27.899 14.566 1.327 1.00 0.00 H new ATOM 1151 N MET A 77 32.635 15.785 2.060 1.00 0.00 N ATOM 1152 CA MET A 77 34.038 15.612 1.703 1.00 0.00 C ATOM 1153 C MET A 77 34.270 14.335 0.898 1.00 0.00 C ATOM 1154 O MET A 77 34.209 13.231 1.445 1.00 0.00 O ATOM 1155 CB MET A 77 34.896 15.585 2.962 1.00 0.00 C ATOM 1156 CG MET A 77 35.175 16.968 3.509 1.00 0.00 C ATOM 1157 SD MET A 77 36.809 17.110 4.257 1.00 0.00 S ATOM 1158 CE MET A 77 36.477 16.505 5.911 1.00 0.00 C ATOM 0 H MET A 77 32.473 15.905 3.060 1.00 0.00 H new ATOM 0 HA MET A 77 34.323 16.458 1.077 1.00 0.00 H new ATOM 0 HB2 MET A 77 34.394 14.991 3.726 1.00 0.00 H new ATOM 0 HB3 MET A 77 35.841 15.088 2.742 1.00 0.00 H new ATOM 0 HG2 MET A 77 35.085 17.697 2.703 1.00 0.00 H new ATOM 0 HG3 MET A 77 34.418 17.219 4.252 1.00 0.00 H new ATOM 0 HE1 MET A 77 37.394 16.531 6.499 1.00 0.00 H new ATOM 0 HE2 MET A 77 35.724 17.135 6.385 1.00 0.00 H new ATOM 0 HE3 MET A 77 36.110 15.480 5.857 1.00 0.00 H new ATOM 1168 N VAL A 78 34.577 14.511 -0.390 1.00 0.00 N ATOM 1169 CA VAL A 78 34.874 13.401 -1.300 1.00 0.00 C ATOM 1170 C VAL A 78 33.799 12.316 -1.242 1.00 0.00 C ATOM 1171 O VAL A 78 33.996 11.245 -0.662 1.00 0.00 O ATOM 1172 CB VAL A 78 36.256 12.772 -1.011 1.00 0.00 C ATOM 1173 CG1 VAL A 78 36.692 11.883 -2.166 1.00 0.00 C ATOM 1174 CG2 VAL A 78 37.295 13.851 -0.754 1.00 0.00 C ATOM 0 H VAL A 78 34.627 15.429 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 78 34.888 13.827 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 78 36.168 12.158 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 78 37.667 11.450 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 78 35.963 11.085 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 78 36.758 12.477 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 38.260 13.386 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 78 37.377 14.493 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 78 36.994 14.449 0.106 1.00 0.00 H new ATOM 1184 N VAL A 79 32.670 12.591 -1.868 1.00 0.00 N ATOM 1185 CA VAL A 79 31.581 11.644 -1.925 1.00 0.00 C ATOM 1186 C VAL A 79 31.549 10.951 -3.277 1.00 0.00 C ATOM 1187 O VAL A 79 30.878 9.935 -3.450 1.00 0.00 O ATOM 1188 CB VAL A 79 30.226 12.333 -1.696 1.00 0.00 C ATOM 1189 CG1 VAL A 79 29.837 12.279 -0.231 1.00 0.00 C ATOM 1190 CG2 VAL A 79 30.247 13.769 -2.199 1.00 0.00 C ATOM 0 H VAL A 79 32.486 13.472 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 79 31.749 10.913 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 79 29.473 11.791 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 79 28.875 12.772 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 79 29.761 11.239 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 79 30.595 12.787 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 79 29.275 14.230 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 79 31.016 14.329 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 79 30.465 13.777 -3.267 1.00 0.00 H new ATOM 1200 N GLY A 80 32.172 11.586 -4.263 1.00 0.00 N ATOM 1201 CA GLY A 80 32.100 11.095 -5.621 1.00 0.00 C ATOM 1202 C GLY A 80 30.823 11.550 -6.291 1.00 0.00 C ATOM 1203 O GLY A 80 30.573 11.230 -7.455 1.00 0.00 O ATOM 0 H GLY A 80 32.726 12.434 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 80 32.960 11.452 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 80 32.148 10.006 -5.622 1.00 0.00 H new ATOM 1207 N GLU A 81 30.042 12.333 -5.544 1.00 0.00 N ATOM 1208 CA GLU A 81 28.765 12.871 -5.996 1.00 0.00 C ATOM 1209 C GLU A 81 27.906 11.801 -6.671 1.00 0.00 C ATOM 1210 O GLU A 81 27.681 11.835 -7.882 1.00 0.00 O ATOM 1211 CB GLU A 81 28.985 14.072 -6.913 1.00 0.00 C ATOM 1212 CG GLU A 81 28.894 15.397 -6.171 1.00 0.00 C ATOM 1213 CD GLU A 81 30.230 15.873 -5.632 1.00 0.00 C ATOM 1214 OE1 GLU A 81 31.213 15.111 -5.699 1.00 0.00 O ATOM 1215 OE2 GLU A 81 30.306 17.022 -5.149 1.00 0.00 O ATOM 0 H GLU A 81 30.286 12.613 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 81 28.215 13.210 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 29.964 13.990 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 81 28.244 14.055 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 81 28.489 16.155 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 81 28.191 15.295 -5.344 1.00 0.00 H new ATOM 1222 N PRO A 82 27.403 10.838 -5.879 1.00 0.00 N ATOM 1223 CA PRO A 82 26.555 9.760 -6.372 1.00 0.00 C ATOM 1224 C PRO A 82 25.076 10.166 -6.356 1.00 0.00 C ATOM 1225 O PRO A 82 24.727 11.250 -6.826 1.00 0.00 O ATOM 1226 CB PRO A 82 26.860 8.645 -5.368 1.00 0.00 C ATOM 1227 CG PRO A 82 27.078 9.359 -4.075 1.00 0.00 C ATOM 1228 CD PRO A 82 27.604 10.732 -4.420 1.00 0.00 C ATOM 0 HA PRO A 82 26.744 9.475 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 82 26.034 7.937 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 82 27.742 8.076 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 82 26.148 9.431 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 82 27.788 8.818 -3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 82 27.063 11.512 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 82 28.656 10.834 -4.154 1.00 0.00 H new ATOM 1236 N THR A 83 24.226 9.342 -5.759 1.00 0.00 N ATOM 1237 CA THR A 83 22.821 9.664 -5.620 1.00 0.00 C ATOM 1238 C THR A 83 22.610 10.658 -4.478 1.00 0.00 C ATOM 1239 O THR A 83 22.282 10.272 -3.359 1.00 0.00 O ATOM 1240 CB THR A 83 22.007 8.387 -5.350 1.00 0.00 C ATOM 1241 OG1 THR A 83 22.899 7.271 -5.186 1.00 0.00 O ATOM 1242 CG2 THR A 83 21.053 8.107 -6.496 1.00 0.00 C ATOM 0 H THR A 83 24.492 8.441 -5.362 1.00 0.00 H new ATOM 0 HA THR A 83 22.480 10.117 -6.551 1.00 0.00 H new ATOM 0 HB THR A 83 21.426 8.532 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.354 7.340 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.487 7.200 -6.285 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.366 8.945 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.620 7.975 -7.417 1.00 0.00 H new ATOM 1250 N LEU A 84 22.907 11.920 -4.738 1.00 0.00 N ATOM 1251 CA LEU A 84 22.832 12.947 -3.707 1.00 0.00 C ATOM 1252 C LEU A 84 21.382 13.296 -3.406 1.00 0.00 C ATOM 1253 O LEU A 84 20.726 14.004 -4.175 1.00 0.00 O ATOM 1254 CB LEU A 84 23.600 14.193 -4.151 1.00 0.00 C ATOM 1255 CG LEU A 84 24.882 13.909 -4.937 1.00 0.00 C ATOM 1256 CD1 LEU A 84 24.864 14.625 -6.277 1.00 0.00 C ATOM 1257 CD2 LEU A 84 26.101 14.321 -4.131 1.00 0.00 C ATOM 0 H LEU A 84 23.202 12.260 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 84 23.287 12.560 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.943 14.808 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 84 23.854 14.780 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 84 24.936 12.837 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 84 25.785 14.408 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 84 24.011 14.281 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 84 24.783 15.700 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 84 27.004 14.112 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 84 26.049 15.387 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 84 26.126 13.760 -3.197 1.00 0.00 H new ATOM 1269 N MET A 85 20.858 12.710 -2.337 1.00 0.00 N ATOM 1270 CA MET A 85 19.455 12.879 -1.993 1.00 0.00 C ATOM 1271 C MET A 85 19.274 13.110 -0.496 1.00 0.00 C ATOM 1272 O MET A 85 18.195 12.879 0.050 1.00 0.00 O ATOM 1273 CB MET A 85 18.655 11.656 -2.434 1.00 0.00 C ATOM 1274 CG MET A 85 17.327 12.007 -3.078 1.00 0.00 C ATOM 1275 SD MET A 85 16.229 10.586 -3.239 1.00 0.00 S ATOM 1276 CE MET A 85 14.635 11.397 -3.147 1.00 0.00 C ATOM 0 H MET A 85 21.383 12.115 -1.696 1.00 0.00 H new ATOM 0 HA MET A 85 19.085 13.760 -2.517 1.00 0.00 H new ATOM 0 HB2 MET A 85 19.251 11.076 -3.139 1.00 0.00 H new ATOM 0 HB3 MET A 85 18.474 11.018 -1.569 1.00 0.00 H new ATOM 0 HG2 MET A 85 16.833 12.776 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 85 17.509 12.433 -4.065 1.00 0.00 H new ATOM 0 HE1 MET A 85 13.850 10.647 -3.052 1.00 0.00 H new ATOM 0 HE2 MET A 85 14.612 12.057 -2.280 1.00 0.00 H new ATOM 0 HE3 MET A 85 14.471 11.981 -4.053 1.00 0.00 H new ATOM 1286 N GLY A 86 20.318 13.613 0.151 1.00 0.00 N ATOM 1287 CA GLY A 86 20.233 13.933 1.566 1.00 0.00 C ATOM 1288 C GLY A 86 20.042 12.710 2.442 1.00 0.00 C ATOM 1289 O GLY A 86 19.114 12.655 3.251 1.00 0.00 O ATOM 0 H GLY A 86 21.223 13.806 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 86 21.142 14.452 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.403 14.621 1.728 1.00 0.00 H new ATOM 1293 N GLY A 87 20.951 11.753 2.321 1.00 0.00 N ATOM 1294 CA GLY A 87 20.904 10.568 3.159 1.00 0.00 C ATOM 1295 C GLY A 87 20.011 9.476 2.606 1.00 0.00 C ATOM 1296 O GLY A 87 20.460 8.353 2.384 1.00 0.00 O ATOM 0 H GLY A 87 21.724 11.775 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.914 10.176 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.551 10.848 4.152 1.00 0.00 H new ATOM 1300 N GLU A 88 18.744 9.794 2.403 1.00 0.00 N ATOM 1301 CA GLU A 88 17.784 8.812 1.916 1.00 0.00 C ATOM 1302 C GLU A 88 17.782 8.761 0.394 1.00 0.00 C ATOM 1303 O GLU A 88 16.803 9.151 -0.246 1.00 0.00 O ATOM 1304 CB GLU A 88 16.377 9.130 2.425 1.00 0.00 C ATOM 1305 CG GLU A 88 16.359 10.056 3.627 1.00 0.00 C ATOM 1306 CD GLU A 88 14.957 10.338 4.128 1.00 0.00 C ATOM 1307 OE1 GLU A 88 14.005 10.303 3.319 1.00 0.00 O ATOM 1308 OE2 GLU A 88 14.791 10.560 5.345 1.00 0.00 O ATOM 0 H GLU A 88 18.354 10.722 2.567 1.00 0.00 H new ATOM 0 HA GLU A 88 18.086 7.837 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.802 9.585 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.876 8.198 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.945 9.612 4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.842 10.997 3.363 1.00 0.00 H new ATOM 1315 N PHE A 89 18.878 8.287 -0.186 1.00 0.00 N ATOM 1316 CA PHE A 89 18.982 8.197 -1.635 1.00 0.00 C ATOM 1317 C PHE A 89 18.180 7.028 -2.163 1.00 0.00 C ATOM 1318 O PHE A 89 18.206 5.934 -1.603 1.00 0.00 O ATOM 1319 CB PHE A 89 20.416 8.041 -2.111 1.00 0.00 C ATOM 1320 CG PHE A 89 21.441 8.059 -1.015 1.00 0.00 C ATOM 1321 CD1 PHE A 89 21.899 9.260 -0.512 1.00 0.00 C ATOM 1322 CD2 PHE A 89 21.947 6.879 -0.497 1.00 0.00 C ATOM 1323 CE1 PHE A 89 22.846 9.290 0.492 1.00 0.00 C ATOM 1324 CE2 PHE A 89 22.893 6.900 0.509 1.00 0.00 C ATOM 1325 CZ PHE A 89 23.343 8.107 1.005 1.00 0.00 C ATOM 0 H PHE A 89 19.701 7.962 0.321 1.00 0.00 H new ATOM 0 HA PHE A 89 18.586 9.137 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 89 20.504 7.102 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 89 20.641 8.842 -2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 89 21.512 10.187 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.598 5.933 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.198 10.236 0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 89 23.280 5.974 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 89 24.082 8.127 1.792 1.00 0.00 H new ATOM 1335 N GLY A 90 17.517 7.255 -3.272 1.00 0.00 N ATOM 1336 CA GLY A 90 16.777 6.197 -3.916 1.00 0.00 C ATOM 1337 C GLY A 90 15.989 6.687 -5.105 1.00 0.00 C ATOM 1338 O GLY A 90 16.528 6.879 -6.194 1.00 0.00 O ATOM 0 H GLY A 90 17.475 8.158 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.468 5.418 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.097 5.742 -3.195 1.00 0.00 H new ATOM 1342 N ASP A 91 14.696 6.869 -4.881 1.00 0.00 N ATOM 1343 CA ASP A 91 13.780 7.298 -5.915 1.00 0.00 C ATOM 1344 C ASP A 91 13.384 8.770 -5.713 1.00 0.00 C ATOM 1345 O ASP A 91 14.176 9.670 -5.989 1.00 0.00 O ATOM 1346 CB ASP A 91 12.551 6.373 -5.917 1.00 0.00 C ATOM 1347 CG ASP A 91 11.810 6.359 -4.593 1.00 0.00 C ATOM 1348 OD1 ASP A 91 12.391 5.934 -3.572 1.00 0.00 O ATOM 1349 OD2 ASP A 91 10.660 6.840 -4.564 1.00 0.00 O ATOM 0 H ASP A 91 14.256 6.722 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 91 14.267 7.230 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.868 6.690 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.868 5.359 -6.159 1.00 0.00 H new ATOM 1354 N GLU A 92 12.182 9.013 -5.195 1.00 0.00 N ATOM 1355 CA GLU A 92 11.715 10.362 -4.929 1.00 0.00 C ATOM 1356 C GLU A 92 10.892 10.416 -3.639 1.00 0.00 C ATOM 1357 O GLU A 92 11.152 11.251 -2.775 1.00 0.00 O ATOM 1358 CB GLU A 92 10.884 10.891 -6.102 1.00 0.00 C ATOM 1359 CG GLU A 92 10.026 9.832 -6.769 1.00 0.00 C ATOM 1360 CD GLU A 92 10.478 9.516 -8.175 1.00 0.00 C ATOM 1361 OE1 GLU A 92 10.370 10.400 -9.049 1.00 0.00 O ATOM 1362 OE2 GLU A 92 10.934 8.381 -8.417 1.00 0.00 O ATOM 0 H GLU A 92 11.512 8.283 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 92 12.593 10.997 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.241 11.696 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.554 11.323 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.050 8.921 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.990 10.171 -6.792 1.00 0.00 H new ATOM 1369 N ASP A 93 9.878 9.556 -3.526 1.00 0.00 N ATOM 1370 CA ASP A 93 8.988 9.582 -2.359 1.00 0.00 C ATOM 1371 C ASP A 93 8.605 8.176 -1.899 1.00 0.00 C ATOM 1372 O ASP A 93 7.555 7.979 -1.288 1.00 0.00 O ATOM 1373 CB ASP A 93 7.733 10.397 -2.668 1.00 0.00 C ATOM 1374 CG ASP A 93 7.473 11.476 -1.634 1.00 0.00 C ATOM 1375 OD1 ASP A 93 8.322 11.672 -0.735 1.00 0.00 O ATOM 1376 OD2 ASP A 93 6.412 12.129 -1.713 1.00 0.00 O ATOM 0 H ASP A 93 9.653 8.841 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 93 9.534 10.056 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.835 10.857 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.873 9.729 -2.716 1.00 0.00 H new ATOM 1381 N GLU A 94 9.483 7.221 -2.202 1.00 0.00 N ATOM 1382 CA GLU A 94 9.331 5.799 -1.854 1.00 0.00 C ATOM 1383 C GLU A 94 7.911 5.258 -2.042 1.00 0.00 C ATOM 1384 O GLU A 94 7.542 4.871 -3.150 1.00 0.00 O ATOM 1385 CB GLU A 94 9.847 5.485 -0.435 1.00 0.00 C ATOM 1386 CG GLU A 94 9.531 6.532 0.625 1.00 0.00 C ATOM 1387 CD GLU A 94 10.774 7.204 1.173 1.00 0.00 C ATOM 1388 OE1 GLU A 94 11.725 6.494 1.551 1.00 0.00 O ATOM 1389 OE2 GLU A 94 10.796 8.452 1.237 1.00 0.00 O ATOM 0 H GLU A 94 10.346 7.415 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 94 9.959 5.274 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.425 4.532 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.928 5.355 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.873 7.288 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.987 6.061 1.444 1.00 0.00 H new ATOM 1396 N ARG A 95 7.220 4.997 -0.939 1.00 0.00 N ATOM 1397 CA ARG A 95 5.980 4.247 -0.999 1.00 0.00 C ATOM 1398 C ARG A 95 4.856 4.903 -0.208 1.00 0.00 C ATOM 1399 O ARG A 95 4.936 5.038 1.016 1.00 0.00 O ATOM 1400 CB ARG A 95 6.221 2.840 -0.460 1.00 0.00 C ATOM 1401 CG ARG A 95 5.738 1.742 -1.384 1.00 0.00 C ATOM 1402 CD ARG A 95 6.883 0.849 -1.823 1.00 0.00 C ATOM 1403 NE ARG A 95 7.123 -0.242 -0.878 1.00 0.00 N ATOM 1404 CZ ARG A 95 6.902 -1.526 -1.156 1.00 0.00 C ATOM 1405 NH1 ARG A 95 6.403 -1.877 -2.335 1.00 0.00 N ATOM 1406 NH2 ARG A 95 7.184 -2.462 -0.260 1.00 0.00 N ATOM 0 H ARG A 95 7.497 5.292 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 95 5.666 4.218 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.288 2.708 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.720 2.739 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.981 1.144 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.262 2.183 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.662 0.434 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.789 1.446 -1.925 1.00 0.00 H new ATOM 0 HE ARG A 95 7.480 -0.006 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.188 -1.163 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.235 -2.861 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.572 -2.200 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.013 -3.444 -0.477 1.00 0.00 H new ATOM 1420 N LEU A 96 3.743 5.131 -0.888 1.00 0.00 N ATOM 1421 CA LEU A 96 2.522 5.573 -0.252 1.00 0.00 C ATOM 1422 C LEU A 96 1.422 4.564 -0.559 1.00 0.00 C ATOM 1423 O LEU A 96 1.496 3.860 -1.563 1.00 0.00 O ATOM 1424 CB LEU A 96 2.127 6.959 -0.767 1.00 0.00 C ATOM 1425 CG LEU A 96 0.993 6.964 -1.790 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.272 7.536 -1.172 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.387 7.745 -3.029 1.00 0.00 C ATOM 0 H LEU A 96 3.666 5.013 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 96 2.671 5.642 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.834 7.576 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.003 7.428 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 96 0.796 5.935 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.072 7.534 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.567 6.927 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.086 8.558 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.563 7.734 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.615 8.775 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.266 7.288 -3.483 1.00 0.00 H new ATOM 1439 N ILE A 97 0.365 4.555 0.238 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.788 3.724 -0.051 1.00 0.00 C ATOM 1441 C ILE A 97 -2.019 4.338 0.566 1.00 0.00 C ATOM 1442 O ILE A 97 -1.968 4.872 1.675 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.663 2.271 0.459 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.620 2.057 1.265 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.725 1.307 -0.712 1.00 0.00 C ATOM 1446 CD1 ILE A 97 0.520 0.918 2.254 1.00 0.00 C ATOM 0 H ILE A 97 0.284 5.113 1.088 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.857 3.678 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.500 2.078 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.444 1.862 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.862 2.975 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.636 0.284 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.676 1.426 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.093 1.518 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.463 0.820 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.283 1.121 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.308 -0.009 1.721 1.00 0.00 H new ATOM 1458 N THR A 98 -3.121 4.253 -0.143 1.00 0.00 N ATOM 1459 CA THR A 98 -4.368 4.769 0.344 1.00 0.00 C ATOM 1460 C THR A 98 -5.252 3.607 0.795 1.00 0.00 C ATOM 1461 O THR A 98 -5.469 2.644 0.047 1.00 0.00 O ATOM 1462 CB THR A 98 -5.048 5.634 -0.746 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.027 7.015 -0.365 1.00 0.00 O ATOM 1464 CG2 THR A 98 -6.476 5.205 -1.007 1.00 0.00 C ATOM 0 H THR A 98 -3.173 3.826 -1.068 1.00 0.00 H new ATOM 0 HA THR A 98 -4.197 5.415 1.205 1.00 0.00 H new ATOM 0 HB THR A 98 -4.482 5.493 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.458 7.553 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.912 5.840 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.489 4.168 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.057 5.298 -0.090 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.655 3.640 2.056 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.470 2.574 2.616 1.00 0.00 C ATOM 1474 C ARG A 99 -7.937 2.911 2.413 1.00 0.00 C ATOM 1475 O ARG A 99 -8.477 3.797 3.077 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.175 2.361 4.106 1.00 0.00 C ATOM 1477 CG ARG A 99 -4.849 2.941 4.573 1.00 0.00 C ATOM 1478 CD ARG A 99 -3.948 1.883 5.200 1.00 0.00 C ATOM 1479 NE ARG A 99 -4.675 0.999 6.110 1.00 0.00 N ATOM 1480 CZ ARG A 99 -5.048 1.331 7.344 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -4.596 2.446 7.908 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.823 0.508 8.034 1.00 0.00 N ATOM 0 H ARG A 99 -5.432 4.391 2.709 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.227 1.645 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.979 2.808 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.184 1.292 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.336 3.398 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.036 3.733 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.487 1.288 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.140 2.373 5.743 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.912 0.065 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.958 3.055 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.887 2.693 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.129 -0.372 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.114 0.754 8.980 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.526 2.326 1.389 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.885 2.668 1.009 1.00 0.00 C ATOM 1498 C LEU A 100 -10.897 1.784 1.705 1.00 0.00 C ATOM 1499 O LEU A 100 -10.583 0.685 2.167 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.070 2.545 -0.497 1.00 0.00 C ATOM 1501 CG LEU A 100 -11.072 3.516 -1.119 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -10.351 4.538 -1.982 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.106 2.761 -1.939 1.00 0.00 C ATOM 0 H LEU A 100 -8.088 1.613 0.806 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.052 3.700 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.103 2.692 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.388 1.527 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.588 4.043 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.078 5.223 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.646 5.099 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.811 4.026 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.812 3.468 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.607 2.209 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.642 2.063 -1.295 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.130 2.237 1.667 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.248 1.480 2.193 1.00 0.00 C ATOM 1517 C GLU A 101 -13.926 0.728 1.062 1.00 0.00 C ATOM 1518 O GLU A 101 -14.498 1.333 0.154 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.248 2.409 2.885 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.791 3.855 2.942 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.265 4.661 1.756 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.550 4.696 0.734 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.350 5.271 1.839 1.00 0.00 O ATOM 0 H GLU A 101 -12.388 3.141 1.271 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.879 0.767 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.202 2.358 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.422 2.051 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.161 4.313 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.702 3.887 2.986 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.768 -0.584 1.069 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.293 -1.421 0.000 1.00 0.00 C ATOM 1532 C ASN A 102 -15.816 -1.413 0.012 1.00 0.00 C ATOM 1533 O ASN A 102 -16.458 -1.252 -1.026 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.775 -2.847 0.148 1.00 0.00 C ATOM 1535 CG ASN A 102 -13.983 -3.667 -1.105 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -13.894 -3.150 -2.218 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.271 -4.947 -0.929 1.00 0.00 N ATOM 0 H ASN A 102 -13.280 -1.095 1.804 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.953 -1.017 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.713 -2.822 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.281 -3.330 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.430 -5.550 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.334 -5.331 0.014 1.00 0.00 H new ATOM 1544 N THR A 103 -16.380 -1.469 1.204 1.00 0.00 N ATOM 1545 CA THR A 103 -17.812 -1.368 1.372 1.00 0.00 C ATOM 1546 C THR A 103 -18.164 0.050 1.854 1.00 0.00 C ATOM 1547 O THR A 103 -17.757 1.033 1.235 1.00 0.00 O ATOM 1548 CB THR A 103 -18.326 -2.474 2.343 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.712 -2.291 2.670 1.00 0.00 O ATOM 1550 CG2 THR A 103 -17.498 -2.519 3.621 1.00 0.00 C ATOM 0 H THR A 103 -15.861 -1.585 2.074 1.00 0.00 H new ATOM 0 HA THR A 103 -18.314 -1.533 0.419 1.00 0.00 H new ATOM 0 HB THR A 103 -18.218 -3.424 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 103 -19.837 -2.397 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.882 -3.301 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.458 -2.732 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.560 -1.557 4.129 1.00 0.00 H new ATOM 1558 N GLN A 104 -18.843 0.157 2.980 1.00 0.00 N ATOM 1559 CA GLN A 104 -19.179 1.446 3.563 1.00 0.00 C ATOM 1560 C GLN A 104 -18.713 1.485 5.011 1.00 0.00 C ATOM 1561 O GLN A 104 -19.512 1.372 5.940 1.00 0.00 O ATOM 1562 CB GLN A 104 -20.688 1.704 3.481 1.00 0.00 C ATOM 1563 CG GLN A 104 -21.535 0.445 3.587 1.00 0.00 C ATOM 1564 CD GLN A 104 -22.639 0.562 4.621 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -23.787 0.199 4.364 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -22.300 1.059 5.800 1.00 0.00 N ATOM 0 H GLN A 104 -19.177 -0.643 3.517 1.00 0.00 H new ATOM 0 HA GLN A 104 -18.673 2.230 3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -20.973 2.390 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -20.911 2.202 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -21.976 0.227 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -20.893 -0.398 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -21.338 1.349 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -23.001 1.152 6.535 1.00 0.00 H new ATOM 1575 N PHE A 105 -17.405 1.541 5.190 1.00 0.00 N ATOM 1576 CA PHE A 105 -16.806 1.483 6.512 1.00 0.00 C ATOM 1577 C PHE A 105 -15.371 1.989 6.463 1.00 0.00 C ATOM 1578 O PHE A 105 -14.460 1.265 6.057 1.00 0.00 O ATOM 1579 CB PHE A 105 -16.840 0.042 7.040 1.00 0.00 C ATOM 1580 CG PHE A 105 -16.482 -0.091 8.495 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -16.730 0.940 9.388 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -15.892 -1.252 8.967 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -16.398 0.814 10.723 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -15.558 -1.383 10.301 1.00 0.00 C ATOM 1585 CZ PHE A 105 -15.811 -0.349 11.180 1.00 0.00 C ATOM 0 H PHE A 105 -16.732 1.627 4.429 1.00 0.00 H new ATOM 0 HA PHE A 105 -17.378 2.121 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.839 -0.366 6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -16.152 -0.565 6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -17.188 1.852 9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -15.691 -2.064 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -16.597 1.624 11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.099 -2.294 10.656 1.00 0.00 H new ATOM 0 HZ PHE A 105 -15.550 -0.450 12.223 1.00 0.00 H new ATOM 1595 N ASP A 106 -15.172 3.223 6.894 1.00 0.00 N ATOM 1596 CA ASP A 106 -13.837 3.812 6.940 1.00 0.00 C ATOM 1597 C ASP A 106 -13.251 3.669 8.331 1.00 0.00 C ATOM 1598 O ASP A 106 -12.461 2.760 8.599 1.00 0.00 O ATOM 1599 CB ASP A 106 -13.877 5.296 6.569 1.00 0.00 C ATOM 1600 CG ASP A 106 -12.487 5.905 6.503 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -11.648 5.399 5.731 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -12.224 6.882 7.238 1.00 0.00 O ATOM 0 H ASP A 106 -15.917 3.840 7.218 1.00 0.00 H new ATOM 0 HA ASP A 106 -13.215 3.282 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -14.371 5.415 5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -14.475 5.837 7.302 1.00 0.00 H new ATOM 1607 N ALA A 107 -13.650 4.590 9.201 1.00 0.00 N ATOM 1608 CA ALA A 107 -13.194 4.626 10.587 1.00 0.00 C ATOM 1609 C ALA A 107 -11.691 4.883 10.667 1.00 0.00 C ATOM 1610 O ALA A 107 -11.009 4.373 11.557 1.00 0.00 O ATOM 1611 CB ALA A 107 -13.570 3.343 11.320 1.00 0.00 C ATOM 0 H ALA A 107 -14.303 5.337 8.964 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.699 5.455 11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.218 3.396 12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.653 3.224 11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.107 2.491 10.822 1.00 0.00 H new ATOM 1617 N ALA A 108 -11.191 5.724 9.771 1.00 0.00 N ATOM 1618 CA ALA A 108 -9.786 6.101 9.789 1.00 0.00 C ATOM 1619 C ALA A 108 -9.606 7.411 10.547 1.00 0.00 C ATOM 1620 O ALA A 108 -10.554 7.919 11.150 1.00 0.00 O ATOM 1621 CB ALA A 108 -9.241 6.215 8.374 1.00 0.00 C ATOM 0 H ALA A 108 -11.736 6.156 9.025 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.222 5.322 10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.189 6.498 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.341 5.255 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.802 6.974 7.828 1.00 0.00 H new ATOM 1627 N ASN A 109 -8.404 7.971 10.505 1.00 0.00 N ATOM 1628 CA ASN A 109 -8.123 9.222 11.204 1.00 0.00 C ATOM 1629 C ASN A 109 -8.371 10.426 10.299 1.00 0.00 C ATOM 1630 O ASN A 109 -7.894 11.528 10.571 1.00 0.00 O ATOM 1631 CB ASN A 109 -6.682 9.245 11.723 1.00 0.00 C ATOM 1632 CG ASN A 109 -6.577 9.912 13.082 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -7.017 9.365 14.093 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -5.992 11.096 13.113 1.00 0.00 N ATOM 0 H ASN A 109 -7.610 7.582 9.997 1.00 0.00 H new ATOM 0 HA ASN A 109 -8.803 9.283 12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.305 8.225 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.048 9.773 11.010 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.891 11.592 13.999 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.641 11.514 12.251 1.00 0.00 H new ATOM 1641 N GLY A 110 -9.187 10.230 9.271 1.00 0.00 N ATOM 1642 CA GLY A 110 -9.557 11.326 8.401 1.00 0.00 C ATOM 1643 C GLY A 110 -10.641 12.179 9.021 1.00 0.00 C ATOM 1644 O GLY A 110 -10.355 13.096 9.791 1.00 0.00 O ATOM 0 H GLY A 110 -9.599 9.330 9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.681 11.941 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.903 10.933 7.445 1.00 0.00 H new ATOM 1648 N ILE A 111 -11.885 11.793 8.802 1.00 0.00 N ATOM 1649 CA ILE A 111 -13.007 12.451 9.452 1.00 0.00 C ATOM 1650 C ILE A 111 -13.519 11.577 10.583 1.00 0.00 C ATOM 1651 O ILE A 111 -13.221 11.819 11.756 1.00 0.00 O ATOM 1652 CB ILE A 111 -14.167 12.750 8.471 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -13.679 12.756 7.014 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -14.822 14.075 8.825 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -12.895 13.994 6.622 1.00 0.00 C ATOM 0 H ILE A 111 -12.145 11.028 8.180 1.00 0.00 H new ATOM 0 HA ILE A 111 -12.647 13.406 9.836 1.00 0.00 H new ATOM 0 HB ILE A 111 -14.907 11.955 8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -13.055 11.878 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -14.542 12.663 6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -15.636 14.276 8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -15.216 14.026 9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -14.084 14.875 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -12.589 13.916 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -13.521 14.877 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -12.011 14.080 7.254 1.00 0.00 H new ATOM 1667 N ASP A 112 -14.121 10.466 10.194 1.00 0.00 N ATOM 1668 CA ASP A 112 -14.536 9.419 11.121 1.00 0.00 C ATOM 1669 C ASP A 112 -14.869 8.157 10.333 1.00 0.00 C ATOM 1670 O ASP A 112 -13.995 7.581 9.690 1.00 0.00 O ATOM 1671 CB ASP A 112 -15.725 9.851 12.007 1.00 0.00 C ATOM 1672 CG ASP A 112 -16.767 10.703 11.298 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -17.412 10.207 10.356 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -16.973 11.862 11.716 1.00 0.00 O ATOM 0 H ASP A 112 -14.339 10.261 9.219 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.708 9.219 11.802 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -16.211 8.958 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.341 10.407 12.862 1.00 0.00 H new ATOM 1679 N ASP A 113 -16.137 7.822 10.259 1.00 0.00 N ATOM 1680 CA ASP A 113 -16.590 6.732 9.409 1.00 0.00 C ATOM 1681 C ASP A 113 -17.586 7.258 8.386 1.00 0.00 C ATOM 1682 O ASP A 113 -18.757 7.474 8.700 1.00 0.00 O ATOM 1683 CB ASP A 113 -17.219 5.616 10.247 1.00 0.00 C ATOM 1684 CG ASP A 113 -17.808 4.512 9.393 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -17.246 4.208 8.321 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -18.846 3.942 9.792 1.00 0.00 O ATOM 0 H ASP A 113 -16.881 8.289 10.778 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.730 6.315 8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -16.464 5.194 10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -18.000 6.037 10.880 1.00 0.00 H new ATOM 1691 N GLU A 114 -17.100 7.540 7.191 1.00 0.00 N ATOM 1692 CA GLU A 114 -17.935 8.095 6.140 1.00 0.00 C ATOM 1693 C GLU A 114 -18.240 7.032 5.093 1.00 0.00 C ATOM 1694 O GLU A 114 -19.213 7.199 4.333 1.00 0.00 O ATOM 1695 CB GLU A 114 -17.238 9.287 5.489 1.00 0.00 C ATOM 1696 CG GLU A 114 -18.197 10.280 4.857 1.00 0.00 C ATOM 1697 CD GLU A 114 -17.485 11.478 4.269 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -16.748 11.308 3.277 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -17.667 12.598 4.791 1.00 0.00 O ATOM 1700 OXT GLU A 114 -17.503 6.027 5.044 1.00 0.00 O ATOM 0 H GLU A 114 -16.127 7.393 6.923 1.00 0.00 H new ATOM 0 HA GLU A 114 -18.873 8.433 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.638 9.801 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.550 8.923 4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -18.769 9.781 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.912 10.618 5.607 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -4.755 -10.427 -1.301 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.458 -1.940 3.024 1.00 0.00 ZN