USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 850 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 Set 1.1: A 90 TYR OH : rot -73:sc= 0.692 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.855 K(o=-0.16,f=-1.7) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.321) USER MOD Set 2.2: A 82 ASN : amide:sc= 1.02 K(o=2.3,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.168 (180deg=-0.886) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0202 (180deg=-0.229) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 110:sc= -2.5! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.615 USER MOD Single : A 10 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 22 ASN : amide:sc= -2.36! C(o=-2.4!,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 28 TYR OH : rot 22:sc= 1.25 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -96:sc= 1.41 USER MOD Single : A 39 MET CE :methyl -162:sc= -0.205 (180deg=-0.749) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 114:sc= 1.12 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.303 USER MOD Single : A 62 MET CE :methyl -162:sc= -0.162 (180deg=-0.674) USER MOD Single : A 68 GLN : amide:sc= -0.941 K(o=-0.94,f=-3.3) USER MOD Single : A 70 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.3) USER MOD Single : A 75 GLN : amide:sc= -0.835 X(o=-0.84,f=-0.74) USER MOD Single : A 76 ASN : amide:sc= -1.18! K(o=-1.2!,f=-0.013) USER MOD Single : A 78 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.43) USER MOD Single : A 100 THR OG1 : rot 120:sc= 0.463 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 104 GLN : amide:sc= -0.854! C(o=-0.85!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.215 4.311 1.712 1.00 0.00 N ATOM 2 CA MET A 1 0.952 3.143 0.836 1.00 0.00 C ATOM 3 C MET A 1 0.376 3.591 -0.506 1.00 0.00 C ATOM 4 O MET A 1 0.546 2.914 -1.519 1.00 0.00 O ATOM 5 CB MET A 1 -0.011 2.164 1.516 1.00 0.00 C ATOM 6 CG MET A 1 0.548 1.526 2.779 1.00 0.00 C ATOM 7 SD MET A 1 -0.576 0.312 3.502 1.00 0.00 S ATOM 8 CE MET A 1 -0.682 -0.884 2.170 1.00 0.00 C ATOM 0 H1 MET A 1 1.802 4.015 2.518 1.00 0.00 H new ATOM 0 H2 MET A 1 1.715 5.045 1.171 1.00 0.00 H new ATOM 0 H3 MET A 1 0.313 4.693 2.062 1.00 0.00 H new ATOM 0 HA MET A 1 1.901 2.637 0.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.933 2.690 1.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.273 1.377 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.498 1.043 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.756 2.305 3.513 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.996 -1.848 2.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.408 -0.543 1.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.294 -0.989 1.696 1.00 0.00 H new ATOM 18 N SER A 2 -0.320 4.722 -0.509 1.00 0.00 N ATOM 19 CA SER A 2 -0.817 5.311 -1.745 1.00 0.00 C ATOM 20 C SER A 2 0.306 6.075 -2.449 1.00 0.00 C ATOM 21 O SER A 2 1.440 6.100 -1.965 1.00 0.00 O ATOM 22 CB SER A 2 -1.989 6.245 -1.443 1.00 0.00 C ATOM 23 OG SER A 2 -3.006 5.571 -0.714 1.00 0.00 O ATOM 0 H SER A 2 -0.553 5.250 0.332 1.00 0.00 H new ATOM 0 HA SER A 2 -1.165 4.516 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.636 7.103 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.401 6.630 -2.376 1.00 0.00 H new ATOM 0 HG SER A 2 -3.743 6.190 -0.532 1.00 0.00 H new ATOM 29 N ILE A 3 0.000 6.693 -3.583 1.00 0.00 N ATOM 30 CA ILE A 3 1.001 7.453 -4.320 1.00 0.00 C ATOM 31 C ILE A 3 1.385 8.706 -3.531 1.00 0.00 C ATOM 32 O ILE A 3 0.561 9.271 -2.809 1.00 0.00 O ATOM 33 CB ILE A 3 0.495 7.846 -5.730 1.00 0.00 C ATOM 34 CG1 ILE A 3 0.000 6.606 -6.488 1.00 0.00 C ATOM 35 CG2 ILE A 3 1.589 8.547 -6.528 1.00 0.00 C ATOM 36 CD1 ILE A 3 1.051 5.529 -6.663 1.00 0.00 C ATOM 0 H ILE A 3 -0.926 6.683 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 3 1.878 6.819 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.337 8.539 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.852 6.184 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.358 6.913 -7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.207 8.812 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.899 9.451 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.444 7.880 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.623 4.688 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.895 5.932 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.393 5.192 -5.684 1.00 0.00 H new ATOM 48 N THR A 4 2.631 9.129 -3.663 1.00 0.00 N ATOM 49 CA THR A 4 3.152 10.232 -2.874 1.00 0.00 C ATOM 50 C THR A 4 2.968 11.568 -3.589 1.00 0.00 C ATOM 51 O THR A 4 2.348 11.638 -4.652 1.00 0.00 O ATOM 52 CB THR A 4 4.646 10.020 -2.580 1.00 0.00 C ATOM 53 OG1 THR A 4 5.347 9.805 -3.809 1.00 0.00 O ATOM 54 CG2 THR A 4 4.857 8.830 -1.655 1.00 0.00 C ATOM 0 H THR A 4 3.304 8.722 -4.313 1.00 0.00 H new ATOM 0 HA THR A 4 2.591 10.257 -1.940 1.00 0.00 H new ATOM 0 HB THR A 4 5.031 10.911 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.912 10.582 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.922 8.703 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.337 9.005 -0.713 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.463 7.929 -2.125 1.00 0.00 H new ATOM 62 N SER A 5 3.505 12.623 -2.990 1.00 0.00 N ATOM 63 CA SER A 5 3.418 13.963 -3.546 1.00 0.00 C ATOM 64 C SER A 5 4.408 14.147 -4.696 1.00 0.00 C ATOM 65 O SER A 5 5.016 13.182 -5.170 1.00 0.00 O ATOM 66 CB SER A 5 3.684 15.000 -2.453 1.00 0.00 C ATOM 67 OG SER A 5 2.786 14.836 -1.370 1.00 0.00 O ATOM 0 H SER A 5 4.012 12.572 -2.106 1.00 0.00 H new ATOM 0 HA SER A 5 2.411 14.104 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.710 14.904 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.582 16.004 -2.866 1.00 0.00 H new ATOM 0 HG SER A 5 2.976 15.508 -0.683 1.00 0.00 H new ATOM 73 N THR A 6 4.556 15.395 -5.129 1.00 0.00 N ATOM 74 CA THR A 6 5.421 15.772 -6.244 1.00 0.00 C ATOM 75 C THR A 6 6.847 15.210 -6.101 1.00 0.00 C ATOM 76 O THR A 6 7.570 15.078 -7.092 1.00 0.00 O ATOM 77 CB THR A 6 5.464 17.305 -6.367 1.00 0.00 C ATOM 78 OG1 THR A 6 4.141 17.830 -6.163 1.00 0.00 O ATOM 79 CG2 THR A 6 5.972 17.735 -7.737 1.00 0.00 C ATOM 0 H THR A 6 4.070 16.187 -4.708 1.00 0.00 H new ATOM 0 HA THR A 6 4.999 15.337 -7.150 1.00 0.00 H new ATOM 0 HB THR A 6 6.148 17.694 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.162 18.807 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.991 18.823 -7.793 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.979 17.346 -7.890 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.310 17.343 -8.510 1.00 0.00 H new ATOM 87 N ASP A 7 7.241 14.878 -4.867 1.00 0.00 N ATOM 88 CA ASP A 7 8.544 14.256 -4.592 1.00 0.00 C ATOM 89 C ASP A 7 8.782 13.027 -5.467 1.00 0.00 C ATOM 90 O ASP A 7 9.922 12.621 -5.672 1.00 0.00 O ATOM 91 CB ASP A 7 8.648 13.829 -3.127 1.00 0.00 C ATOM 92 CG ASP A 7 8.721 14.996 -2.171 1.00 0.00 C ATOM 93 OD1 ASP A 7 9.835 15.503 -1.932 1.00 0.00 O ATOM 94 OD2 ASP A 7 7.662 15.404 -1.647 1.00 0.00 O ATOM 0 H ASP A 7 6.671 15.031 -4.035 1.00 0.00 H new ATOM 0 HA ASP A 7 9.299 15.009 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.786 13.213 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.534 13.207 -2.999 1.00 0.00 H new ATOM 99 N ILE A 8 7.706 12.439 -5.977 1.00 0.00 N ATOM 100 CA ILE A 8 7.811 11.286 -6.860 1.00 0.00 C ATOM 101 C ILE A 8 8.666 11.615 -8.088 1.00 0.00 C ATOM 102 O ILE A 8 9.464 10.795 -8.541 1.00 0.00 O ATOM 103 CB ILE A 8 6.409 10.774 -7.286 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.524 9.520 -8.153 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.625 11.855 -8.022 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.197 8.832 -8.377 1.00 0.00 C ATOM 0 H ILE A 8 6.750 12.743 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 8 8.304 10.487 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 8 5.865 10.518 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.954 9.790 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.214 8.821 -7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.648 11.465 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.495 12.718 -7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.171 12.155 -8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.345 7.949 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.776 8.533 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.512 9.517 -8.876 1.00 0.00 H new ATOM 118 N CYS A 9 8.513 12.829 -8.603 1.00 0.00 N ATOM 119 CA CYS A 9 9.307 13.291 -9.732 1.00 0.00 C ATOM 120 C CYS A 9 10.723 13.646 -9.283 1.00 0.00 C ATOM 121 O CYS A 9 11.683 13.501 -10.037 1.00 0.00 O ATOM 122 CB CYS A 9 8.638 14.504 -10.378 1.00 0.00 C ATOM 123 SG CYS A 9 6.909 14.227 -10.824 1.00 0.00 S ATOM 0 H CYS A 9 7.842 13.514 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 9 9.371 12.487 -10.466 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.696 15.349 -9.691 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.195 14.782 -11.273 1.00 0.00 H new ATOM 0 HG CYS A 9 6.421 15.305 -11.362 1.00 0.00 H new ATOM 129 N GLN A 10 10.842 14.096 -8.038 1.00 0.00 N ATOM 130 CA GLN A 10 12.126 14.526 -7.496 1.00 0.00 C ATOM 131 C GLN A 10 13.030 13.332 -7.215 1.00 0.00 C ATOM 132 O GLN A 10 14.222 13.360 -7.516 1.00 0.00 O ATOM 133 CB GLN A 10 11.925 15.338 -6.215 1.00 0.00 C ATOM 134 CG GLN A 10 11.143 16.626 -6.421 1.00 0.00 C ATOM 135 CD GLN A 10 11.775 17.534 -7.458 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.990 17.517 -7.661 1.00 0.00 O ATOM 137 NE2 GLN A 10 10.959 18.350 -8.106 1.00 0.00 N ATOM 0 H GLN A 10 10.063 14.172 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 10 12.607 15.156 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.404 14.721 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.900 15.580 -5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.126 16.384 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.072 17.159 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.958 18.333 -7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.331 18.996 -8.803 1.00 0.00 H new ATOM 146 N ALA A 11 12.453 12.279 -6.648 1.00 0.00 N ATOM 147 CA ALA A 11 13.204 11.071 -6.328 1.00 0.00 C ATOM 148 C ALA A 11 13.755 10.418 -7.590 1.00 0.00 C ATOM 149 O ALA A 11 14.789 9.757 -7.554 1.00 0.00 O ATOM 150 CB ALA A 11 12.332 10.090 -5.560 1.00 0.00 C ATOM 0 H ALA A 11 11.465 12.238 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 11 14.047 11.355 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.908 9.194 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.994 10.553 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.468 9.819 -6.167 1.00 0.00 H new ATOM 156 N ALA A 12 13.070 10.631 -8.710 1.00 0.00 N ATOM 157 CA ALA A 12 13.500 10.088 -9.993 1.00 0.00 C ATOM 158 C ALA A 12 14.821 10.713 -10.442 1.00 0.00 C ATOM 159 O ALA A 12 15.544 10.143 -11.257 1.00 0.00 O ATOM 160 CB ALA A 12 12.422 10.307 -11.044 1.00 0.00 C ATOM 0 H ALA A 12 12.211 11.179 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 12 13.661 9.017 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.755 9.897 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.505 9.806 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.233 11.375 -11.154 1.00 0.00 H new ATOM 166 N ASP A 13 15.132 11.881 -9.892 1.00 0.00 N ATOM 167 CA ASP A 13 16.369 12.582 -10.217 1.00 0.00 C ATOM 168 C ASP A 13 17.540 11.992 -9.431 1.00 0.00 C ATOM 169 O ASP A 13 18.697 12.105 -9.840 1.00 0.00 O ATOM 170 CB ASP A 13 16.221 14.076 -9.902 1.00 0.00 C ATOM 171 CG ASP A 13 17.458 14.885 -10.247 1.00 0.00 C ATOM 172 OD1 ASP A 13 18.348 15.026 -9.382 1.00 0.00 O ATOM 173 OD2 ASP A 13 17.543 15.397 -11.381 1.00 0.00 O ATOM 0 H ASP A 13 14.541 12.365 -9.216 1.00 0.00 H new ATOM 0 HA ASP A 13 16.571 12.461 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.369 14.474 -10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.000 14.197 -8.842 1.00 0.00 H new ATOM 178 N ALA A 14 17.226 11.331 -8.319 1.00 0.00 N ATOM 179 CA ALA A 14 18.248 10.791 -7.426 1.00 0.00 C ATOM 180 C ALA A 14 18.832 9.486 -7.961 1.00 0.00 C ATOM 181 O ALA A 14 19.827 8.979 -7.435 1.00 0.00 O ATOM 182 CB ALA A 14 17.673 10.581 -6.033 1.00 0.00 C ATOM 0 H ALA A 14 16.268 11.156 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 14 19.059 11.518 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.445 10.178 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.322 11.534 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.840 9.880 -6.085 1.00 0.00 H new ATOM 188 N LEU A 15 18.209 8.943 -9.000 1.00 0.00 N ATOM 189 CA LEU A 15 18.698 7.726 -9.636 1.00 0.00 C ATOM 190 C LEU A 15 20.023 7.993 -10.339 1.00 0.00 C ATOM 191 O LEU A 15 20.100 8.836 -11.231 1.00 0.00 O ATOM 192 CB LEU A 15 17.683 7.182 -10.652 1.00 0.00 C ATOM 193 CG LEU A 15 16.510 6.378 -10.076 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.581 7.259 -9.261 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.742 5.693 -11.195 1.00 0.00 C ATOM 0 H LEU A 15 17.363 9.327 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 15 18.842 6.980 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.278 8.023 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.215 6.550 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 15 16.919 5.619 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.761 6.658 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.134 7.704 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.179 8.049 -9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.912 5.126 -10.773 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.355 6.444 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.407 5.017 -11.732 1.00 0.00 H new ATOM 207 N LYS A 16 21.063 7.285 -9.934 1.00 0.00 N ATOM 208 CA LYS A 16 22.364 7.422 -10.569 1.00 0.00 C ATOM 209 C LYS A 16 22.776 6.113 -11.228 1.00 0.00 C ATOM 210 O LYS A 16 22.374 5.032 -10.794 1.00 0.00 O ATOM 211 CB LYS A 16 23.424 7.891 -9.565 1.00 0.00 C ATOM 212 CG LYS A 16 23.519 7.045 -8.305 1.00 0.00 C ATOM 213 CD LYS A 16 24.564 7.603 -7.352 1.00 0.00 C ATOM 214 CE LYS A 16 24.603 6.841 -6.036 1.00 0.00 C ATOM 215 NZ LYS A 16 23.296 6.888 -5.330 1.00 0.00 N ATOM 0 H LYS A 16 21.033 6.610 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 16 22.285 8.185 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.396 7.896 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.206 8.920 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.549 7.014 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.774 6.019 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.545 7.560 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.351 8.654 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.876 5.803 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.377 7.263 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.452 7.110 -4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.696 7.622 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.824 5.965 -5.411 1.00 0.00 H new ATOM 229 N GLY A 17 23.570 6.223 -12.278 1.00 0.00 N ATOM 230 CA GLY A 17 23.939 5.068 -13.064 1.00 0.00 C ATOM 231 C GLY A 17 23.682 5.313 -14.534 1.00 0.00 C ATOM 232 O GLY A 17 22.748 6.033 -14.891 1.00 0.00 O ATOM 0 H GLY A 17 23.970 7.103 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.993 4.838 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.371 4.199 -12.731 1.00 0.00 H new ATOM 236 N PHE A 18 24.500 4.728 -15.389 1.00 0.00 N ATOM 237 CA PHE A 18 24.386 4.948 -16.821 1.00 0.00 C ATOM 238 C PHE A 18 23.913 3.676 -17.502 1.00 0.00 C ATOM 239 O PHE A 18 24.510 2.619 -17.331 1.00 0.00 O ATOM 240 CB PHE A 18 25.737 5.381 -17.399 1.00 0.00 C ATOM 241 CG PHE A 18 26.349 6.552 -16.681 1.00 0.00 C ATOM 242 CD1 PHE A 18 26.012 7.849 -17.029 1.00 0.00 C ATOM 243 CD2 PHE A 18 27.255 6.351 -15.651 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.568 8.925 -16.365 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.813 7.423 -14.983 1.00 0.00 C ATOM 246 CZ PHE A 18 27.470 8.712 -15.341 1.00 0.00 C ATOM 0 H PHE A 18 25.253 4.095 -15.117 1.00 0.00 H new ATOM 0 HA PHE A 18 23.659 5.740 -17.000 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.428 4.539 -17.358 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.608 5.637 -18.451 1.00 0.00 H new ATOM 0 HD1 PHE A 18 25.307 8.021 -17.828 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.527 5.345 -15.368 1.00 0.00 H new ATOM 0 HE1 PHE A 18 26.298 9.932 -16.646 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.517 7.254 -14.182 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.906 9.552 -14.821 1.00 0.00 H new ATOM 256 N VAL A 19 22.844 3.773 -18.267 1.00 0.00 N ATOM 257 CA VAL A 19 22.282 2.606 -18.920 1.00 0.00 C ATOM 258 C VAL A 19 22.832 2.490 -20.333 1.00 0.00 C ATOM 259 O VAL A 19 22.745 3.432 -21.122 1.00 0.00 O ATOM 260 CB VAL A 19 20.741 2.667 -18.966 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.162 1.323 -19.374 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.178 3.109 -17.624 1.00 0.00 C ATOM 0 H VAL A 19 22.348 4.645 -18.452 1.00 0.00 H new ATOM 0 HA VAL A 19 22.567 1.729 -18.339 1.00 0.00 H new ATOM 0 HB VAL A 19 20.453 3.404 -19.715 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.074 1.388 -19.400 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.533 1.052 -20.362 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.463 0.563 -18.653 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.090 3.145 -17.680 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.479 2.400 -16.852 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.561 4.099 -17.377 1.00 0.00 H new ATOM 272 N GLY A 20 23.414 1.342 -20.637 1.00 0.00 N ATOM 273 CA GLY A 20 24.015 1.135 -21.933 1.00 0.00 C ATOM 274 C GLY A 20 23.795 -0.274 -22.436 1.00 0.00 C ATOM 275 O GLY A 20 23.702 -1.214 -21.646 1.00 0.00 O ATOM 0 H GLY A 20 23.480 0.545 -20.003 1.00 0.00 H new ATOM 0 HA2 GLY A 20 23.595 1.845 -22.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.085 1.337 -21.874 1.00 0.00 H new ATOM 279 N PHE A 21 23.693 -0.422 -23.746 1.00 0.00 N ATOM 280 CA PHE A 21 23.470 -1.724 -24.350 1.00 0.00 C ATOM 281 C PHE A 21 24.796 -2.442 -24.546 1.00 0.00 C ATOM 282 O PHE A 21 25.665 -1.964 -25.272 1.00 0.00 O ATOM 283 CB PHE A 21 22.748 -1.571 -25.692 1.00 0.00 C ATOM 284 CG PHE A 21 22.394 -2.880 -26.339 1.00 0.00 C ATOM 285 CD1 PHE A 21 21.214 -3.528 -26.015 1.00 0.00 C ATOM 286 CD2 PHE A 21 23.242 -3.465 -27.267 1.00 0.00 C ATOM 287 CE1 PHE A 21 20.885 -4.733 -26.603 1.00 0.00 C ATOM 288 CE2 PHE A 21 22.919 -4.670 -27.857 1.00 0.00 C ATOM 289 CZ PHE A 21 21.739 -5.305 -27.524 1.00 0.00 C ATOM 0 H PHE A 21 23.761 0.346 -24.413 1.00 0.00 H new ATOM 0 HA PHE A 21 22.843 -2.317 -23.684 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.837 -0.992 -25.541 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.380 -0.999 -26.371 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.543 -3.085 -25.294 1.00 0.00 H new ATOM 0 HD2 PHE A 21 24.166 -2.972 -27.531 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.961 -5.227 -26.343 1.00 0.00 H new ATOM 0 HE2 PHE A 21 23.588 -5.116 -28.578 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.485 -6.248 -27.984 1.00 0.00 H new ATOM 299 N ASN A 22 24.954 -3.584 -23.899 1.00 0.00 N ATOM 300 CA ASN A 22 26.191 -4.337 -24.007 1.00 0.00 C ATOM 301 C ASN A 22 26.076 -5.381 -25.112 1.00 0.00 C ATOM 302 O ASN A 22 25.194 -6.239 -25.086 1.00 0.00 O ATOM 303 CB ASN A 22 26.546 -5.000 -22.675 1.00 0.00 C ATOM 304 CG ASN A 22 27.965 -5.544 -22.656 1.00 0.00 C ATOM 305 OD1 ASN A 22 28.512 -5.943 -23.685 1.00 0.00 O ATOM 306 ND2 ASN A 22 28.574 -5.561 -21.482 1.00 0.00 N ATOM 0 H ASN A 22 24.247 -4.007 -23.298 1.00 0.00 H new ATOM 0 HA ASN A 22 26.994 -3.645 -24.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.427 -4.276 -21.869 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.846 -5.812 -22.479 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.529 -5.913 -21.408 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.089 -5.222 -20.651 1.00 0.00 H new ATOM 313 N ARG A 23 26.987 -5.301 -26.070 1.00 0.00 N ATOM 314 CA ARG A 23 26.967 -6.158 -27.250 1.00 0.00 C ATOM 315 C ARG A 23 27.171 -7.638 -26.916 1.00 0.00 C ATOM 316 O ARG A 23 26.620 -8.506 -27.594 1.00 0.00 O ATOM 317 CB ARG A 23 28.039 -5.700 -28.242 1.00 0.00 C ATOM 318 CG ARG A 23 29.388 -5.426 -27.594 1.00 0.00 C ATOM 319 CD ARG A 23 30.469 -5.153 -28.625 1.00 0.00 C ATOM 320 NE ARG A 23 30.141 -4.033 -29.507 1.00 0.00 N ATOM 321 CZ ARG A 23 30.996 -3.525 -30.394 1.00 0.00 C ATOM 322 NH1 ARG A 23 32.235 -3.991 -30.459 1.00 0.00 N ATOM 323 NH2 ARG A 23 30.620 -2.548 -31.207 1.00 0.00 N ATOM 0 H ARG A 23 27.763 -4.639 -26.053 1.00 0.00 H new ATOM 0 HA ARG A 23 25.976 -6.064 -27.694 1.00 0.00 H new ATOM 0 HB2 ARG A 23 28.162 -6.464 -29.010 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.696 -4.796 -28.744 1.00 0.00 H new ATOM 0 HG2 ARG A 23 29.301 -4.570 -26.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 29.677 -6.281 -26.983 1.00 0.00 H new ATOM 0 HD2 ARG A 23 31.408 -4.944 -28.113 1.00 0.00 H new ATOM 0 HD3 ARG A 23 30.626 -6.049 -29.226 1.00 0.00 H new ATOM 0 HE ARG A 23 29.211 -3.620 -29.440 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.533 -4.737 -29.831 1.00 0.00 H new ATOM 0 HH12 ARG A 23 32.891 -3.603 -31.137 1.00 0.00 H new ATOM 0 HH21 ARG A 23 29.670 -2.180 -31.156 1.00 0.00 H new ATOM 0 HH22 ARG A 23 31.280 -2.165 -31.883 1.00 0.00 H new ATOM 337 N LYS A 24 27.942 -7.933 -25.873 1.00 0.00 N ATOM 338 CA LYS A 24 28.299 -9.322 -25.584 1.00 0.00 C ATOM 339 C LYS A 24 27.256 -10.011 -24.709 1.00 0.00 C ATOM 340 O LYS A 24 27.236 -11.238 -24.615 1.00 0.00 O ATOM 341 CB LYS A 24 29.686 -9.420 -24.937 1.00 0.00 C ATOM 342 CG LYS A 24 29.820 -8.685 -23.613 1.00 0.00 C ATOM 343 CD LYS A 24 31.193 -8.898 -22.991 1.00 0.00 C ATOM 344 CE LYS A 24 32.311 -8.481 -23.935 1.00 0.00 C ATOM 345 NZ LYS A 24 33.657 -8.672 -23.330 1.00 0.00 N ATOM 0 H LYS A 24 28.326 -7.246 -25.224 1.00 0.00 H new ATOM 0 HA LYS A 24 28.327 -9.843 -26.541 1.00 0.00 H new ATOM 0 HB2 LYS A 24 29.926 -10.472 -24.780 1.00 0.00 H new ATOM 0 HB3 LYS A 24 30.426 -9.025 -25.633 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.652 -7.619 -23.769 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.050 -9.032 -22.924 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.266 -8.326 -22.066 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.313 -9.949 -22.726 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.242 -9.061 -24.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.182 -7.434 -24.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.388 -8.375 -24.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.734 -8.099 -22.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.792 -9.676 -23.093 1.00 0.00 H new ATOM 359 N THR A 25 26.398 -9.236 -24.064 1.00 0.00 N ATOM 360 CA THR A 25 25.328 -9.811 -23.261 1.00 0.00 C ATOM 361 C THR A 25 23.988 -9.669 -23.970 1.00 0.00 C ATOM 362 O THR A 25 23.067 -10.454 -23.749 1.00 0.00 O ATOM 363 CB THR A 25 25.252 -9.157 -21.870 1.00 0.00 C ATOM 364 OG1 THR A 25 25.230 -7.730 -22.000 1.00 0.00 O ATOM 365 CG2 THR A 25 26.436 -9.578 -21.012 1.00 0.00 C ATOM 0 H THR A 25 26.420 -8.216 -24.079 1.00 0.00 H new ATOM 0 HA THR A 25 25.554 -10.869 -23.130 1.00 0.00 H new ATOM 0 HB THR A 25 24.335 -9.489 -21.384 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.180 -7.321 -21.111 1.00 0.00 H new ATOM 0 HG21 THR A 25 26.363 -9.104 -20.033 1.00 0.00 H new ATOM 0 HG22 THR A 25 26.432 -10.661 -20.892 1.00 0.00 H new ATOM 0 HG23 THR A 25 27.363 -9.270 -21.495 1.00 0.00 H new ATOM 373 N GLY A 26 23.889 -8.659 -24.827 1.00 0.00 N ATOM 374 CA GLY A 26 22.680 -8.448 -25.593 1.00 0.00 C ATOM 375 C GLY A 26 21.591 -7.797 -24.770 1.00 0.00 C ATOM 376 O GLY A 26 20.408 -7.887 -25.107 1.00 0.00 O ATOM 0 H GLY A 26 24.630 -7.981 -25.004 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.904 -7.822 -26.457 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.322 -9.404 -25.975 1.00 0.00 H new ATOM 380 N ARG A 27 21.983 -7.140 -23.686 1.00 0.00 N ATOM 381 CA ARG A 27 21.021 -6.512 -22.795 1.00 0.00 C ATOM 382 C ARG A 27 21.306 -5.023 -22.648 1.00 0.00 C ATOM 383 O ARG A 27 22.454 -4.584 -22.751 1.00 0.00 O ATOM 384 CB ARG A 27 21.044 -7.164 -21.405 1.00 0.00 C ATOM 385 CG ARG A 27 20.837 -8.672 -21.403 1.00 0.00 C ATOM 386 CD ARG A 27 19.623 -9.086 -22.222 1.00 0.00 C ATOM 387 NE ARG A 27 18.403 -8.382 -21.830 1.00 0.00 N ATOM 388 CZ ARG A 27 17.519 -7.906 -22.707 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.767 -7.999 -24.008 1.00 0.00 N ATOM 390 NH2 ARG A 27 16.399 -7.330 -22.288 1.00 0.00 N ATOM 0 H ARG A 27 22.957 -7.029 -23.405 1.00 0.00 H new ATOM 0 HA ARG A 27 20.035 -6.650 -23.239 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.000 -6.942 -20.931 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.270 -6.704 -20.791 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.726 -9.160 -21.802 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.717 -9.019 -20.377 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.822 -8.897 -23.277 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.467 -10.159 -22.114 1.00 0.00 H new ATOM 0 HE ARG A 27 18.219 -8.248 -20.836 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.631 -8.433 -24.333 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.094 -7.636 -24.683 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.210 -7.249 -21.289 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.727 -6.968 -22.965 1.00 0.00 H new ATOM 404 N TYR A 28 20.251 -4.256 -22.419 1.00 0.00 N ATOM 405 CA TYR A 28 20.380 -2.849 -22.079 1.00 0.00 C ATOM 406 C TYR A 28 20.514 -2.753 -20.562 1.00 0.00 C ATOM 407 O TYR A 28 19.520 -2.804 -19.838 1.00 0.00 O ATOM 408 CB TYR A 28 19.149 -2.079 -22.587 1.00 0.00 C ATOM 409 CG TYR A 28 19.318 -0.574 -22.648 1.00 0.00 C ATOM 410 CD1 TYR A 28 20.527 -0.004 -23.018 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.257 0.277 -22.357 1.00 0.00 C ATOM 412 CE1 TYR A 28 20.679 1.368 -23.092 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.401 1.651 -22.428 1.00 0.00 C ATOM 414 CZ TYR A 28 19.616 2.190 -22.795 1.00 0.00 C ATOM 415 OH TYR A 28 19.767 3.558 -22.870 1.00 0.00 O ATOM 0 H TYR A 28 19.288 -4.589 -22.463 1.00 0.00 H new ATOM 0 HA TYR A 28 21.257 -2.406 -22.550 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.897 -2.442 -23.583 1.00 0.00 H new ATOM 0 HB3 TYR A 28 18.302 -2.309 -21.940 1.00 0.00 H new ATOM 0 HD1 TYR A 28 21.365 -0.644 -23.253 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.304 -0.142 -22.071 1.00 0.00 H new ATOM 0 HE1 TYR A 28 21.629 1.793 -23.382 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.567 2.297 -22.197 1.00 0.00 H new ATOM 0 HH TYR A 28 20.521 3.772 -23.458 1.00 0.00 H new ATOM 425 N ILE A 29 21.748 -2.664 -20.084 1.00 0.00 N ATOM 426 CA ILE A 29 22.030 -2.845 -18.664 1.00 0.00 C ATOM 427 C ILE A 29 22.610 -1.592 -18.026 1.00 0.00 C ATOM 428 O ILE A 29 22.823 -0.581 -18.695 1.00 0.00 O ATOM 429 CB ILE A 29 22.987 -4.041 -18.432 1.00 0.00 C ATOM 430 CG1 ILE A 29 24.147 -4.036 -19.441 1.00 0.00 C ATOM 431 CG2 ILE A 29 22.225 -5.353 -18.511 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.246 -3.042 -19.126 1.00 0.00 C ATOM 0 H ILE A 29 22.569 -2.468 -20.656 1.00 0.00 H new ATOM 0 HA ILE A 29 21.074 -3.054 -18.184 1.00 0.00 H new ATOM 0 HB ILE A 29 23.412 -3.938 -17.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.579 -5.036 -19.484 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.749 -3.818 -20.432 1.00 0.00 H new ATOM 0 HG21 ILE A 29 22.912 -6.183 -18.346 1.00 0.00 H new ATOM 0 HG22 ILE A 29 21.447 -5.368 -17.748 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.769 -5.450 -19.496 1.00 0.00 H new ATOM 0 HD11 ILE A 29 26.023 -3.105 -19.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.832 -2.034 -19.113 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.675 -3.271 -18.150 1.00 0.00 H new ATOM 444 N VAL A 30 22.877 -1.674 -16.730 1.00 0.00 N ATOM 445 CA VAL A 30 23.365 -0.533 -15.978 1.00 0.00 C ATOM 446 C VAL A 30 24.876 -0.615 -15.767 1.00 0.00 C ATOM 447 O VAL A 30 25.419 -1.652 -15.383 1.00 0.00 O ATOM 448 CB VAL A 30 22.643 -0.401 -14.613 1.00 0.00 C ATOM 449 CG1 VAL A 30 22.839 -1.646 -13.758 1.00 0.00 C ATOM 450 CG2 VAL A 30 23.113 0.843 -13.869 1.00 0.00 C ATOM 0 H VAL A 30 22.762 -2.524 -16.178 1.00 0.00 H new ATOM 0 HA VAL A 30 23.145 0.357 -16.568 1.00 0.00 H new ATOM 0 HB VAL A 30 21.576 -0.299 -14.813 1.00 0.00 H new ATOM 0 HG11 VAL A 30 22.320 -1.520 -12.808 1.00 0.00 H new ATOM 0 HG12 VAL A 30 22.435 -2.513 -14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.903 -1.797 -13.573 1.00 0.00 H new ATOM 0 HG21 VAL A 30 22.592 0.914 -12.914 1.00 0.00 H new ATOM 0 HG22 VAL A 30 24.187 0.778 -13.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.897 1.728 -14.467 1.00 0.00 H new ATOM 460 N ARG A 31 25.543 0.484 -16.057 1.00 0.00 N ATOM 461 CA ARG A 31 26.968 0.618 -15.833 1.00 0.00 C ATOM 462 C ARG A 31 27.231 1.852 -14.987 1.00 0.00 C ATOM 463 O ARG A 31 26.633 2.903 -15.208 1.00 0.00 O ATOM 464 CB ARG A 31 27.716 0.732 -17.166 1.00 0.00 C ATOM 465 CG ARG A 31 27.771 -0.563 -17.958 1.00 0.00 C ATOM 466 CD ARG A 31 28.603 -1.614 -17.241 1.00 0.00 C ATOM 467 NE ARG A 31 29.969 -1.149 -16.995 1.00 0.00 N ATOM 468 CZ ARG A 31 30.730 -1.569 -15.983 1.00 0.00 C ATOM 469 NH1 ARG A 31 30.284 -2.505 -15.151 1.00 0.00 N ATOM 470 NH2 ARG A 31 31.949 -1.068 -15.817 1.00 0.00 N ATOM 0 H ARG A 31 25.108 1.315 -16.458 1.00 0.00 H new ATOM 0 HA ARG A 31 27.328 -0.269 -15.311 1.00 0.00 H new ATOM 0 HB2 ARG A 31 27.236 1.498 -17.775 1.00 0.00 H new ATOM 0 HB3 ARG A 31 28.734 1.070 -16.972 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.760 -0.940 -18.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.195 -0.371 -18.944 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.129 -1.869 -16.293 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.631 -2.525 -17.838 1.00 0.00 H new ATOM 0 HE ARG A 31 30.363 -0.461 -17.637 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.356 -2.906 -15.285 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.870 -2.822 -14.379 1.00 0.00 H new ATOM 0 HH21 ARG A 31 32.303 -0.362 -16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 31 32.531 -1.389 -15.043 1.00 0.00 H new ATOM 484 N PHE A 32 28.110 1.725 -14.010 1.00 0.00 N ATOM 485 CA PHE A 32 28.465 2.860 -13.168 1.00 0.00 C ATOM 486 C PHE A 32 29.657 3.598 -13.759 1.00 0.00 C ATOM 487 O PHE A 32 30.163 4.559 -13.182 1.00 0.00 O ATOM 488 CB PHE A 32 28.770 2.397 -11.742 1.00 0.00 C ATOM 489 CG PHE A 32 27.589 1.780 -11.048 1.00 0.00 C ATOM 490 CD1 PHE A 32 26.640 2.577 -10.429 1.00 0.00 C ATOM 491 CD2 PHE A 32 27.424 0.404 -11.018 1.00 0.00 C ATOM 492 CE1 PHE A 32 25.549 2.014 -9.792 1.00 0.00 C ATOM 493 CE2 PHE A 32 26.336 -0.164 -10.384 1.00 0.00 C ATOM 494 CZ PHE A 32 25.397 0.642 -9.771 1.00 0.00 C ATOM 0 H PHE A 32 28.590 0.855 -13.778 1.00 0.00 H new ATOM 0 HA PHE A 32 27.617 3.544 -13.129 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.584 1.673 -11.770 1.00 0.00 H new ATOM 0 HB3 PHE A 32 29.120 3.249 -11.159 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.753 3.651 -10.444 1.00 0.00 H new ATOM 0 HD2 PHE A 32 28.155 -0.232 -11.496 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.817 2.647 -9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 32 26.220 -1.238 -10.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 24.545 0.200 -9.276 1.00 0.00 H new ATOM 504 N SER A 33 30.083 3.148 -14.930 1.00 0.00 N ATOM 505 CA SER A 33 31.222 3.732 -15.613 1.00 0.00 C ATOM 506 C SER A 33 30.888 3.995 -17.080 1.00 0.00 C ATOM 507 O SER A 33 30.519 3.077 -17.817 1.00 0.00 O ATOM 508 CB SER A 33 32.420 2.793 -15.504 1.00 0.00 C ATOM 509 OG SER A 33 32.686 2.463 -14.152 1.00 0.00 O ATOM 0 H SER A 33 29.650 2.371 -15.429 1.00 0.00 H new ATOM 0 HA SER A 33 31.468 4.684 -15.142 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.226 1.883 -16.073 1.00 0.00 H new ATOM 0 HB3 SER A 33 33.298 3.265 -15.946 1.00 0.00 H new ATOM 0 HG SER A 33 33.457 1.859 -14.108 1.00 0.00 H new ATOM 515 N GLU A 34 31.014 5.249 -17.490 1.00 0.00 N ATOM 516 CA GLU A 34 30.729 5.658 -18.861 1.00 0.00 C ATOM 517 C GLU A 34 31.778 5.097 -19.813 1.00 0.00 C ATOM 518 O GLU A 34 31.464 4.613 -20.899 1.00 0.00 O ATOM 519 CB GLU A 34 30.735 7.182 -18.956 1.00 0.00 C ATOM 520 CG GLU A 34 29.804 7.859 -17.969 1.00 0.00 C ATOM 521 CD GLU A 34 30.157 9.314 -17.750 1.00 0.00 C ATOM 522 OE1 GLU A 34 31.146 9.583 -17.038 1.00 0.00 O ATOM 523 OE2 GLU A 34 29.452 10.197 -18.284 1.00 0.00 O ATOM 0 H GLU A 34 31.316 6.012 -16.884 1.00 0.00 H new ATOM 0 HA GLU A 34 29.749 5.272 -19.140 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.750 7.543 -18.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 30.453 7.475 -19.967 1.00 0.00 H new ATOM 0 HG2 GLU A 34 28.779 7.787 -18.332 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.842 7.331 -17.016 1.00 0.00 H new ATOM 530 N ASP A 35 33.027 5.142 -19.372 1.00 0.00 N ATOM 531 CA ASP A 35 34.162 4.775 -20.209 1.00 0.00 C ATOM 532 C ASP A 35 34.414 3.267 -20.165 1.00 0.00 C ATOM 533 O ASP A 35 35.505 2.795 -20.472 1.00 0.00 O ATOM 534 CB ASP A 35 35.406 5.548 -19.751 1.00 0.00 C ATOM 535 CG ASP A 35 36.561 5.457 -20.730 1.00 0.00 C ATOM 536 OD1 ASP A 35 36.410 5.924 -21.878 1.00 0.00 O ATOM 537 OD2 ASP A 35 37.630 4.923 -20.354 1.00 0.00 O ATOM 0 H ASP A 35 33.282 5.433 -18.428 1.00 0.00 H new ATOM 0 HA ASP A 35 33.937 5.039 -21.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 35.142 6.596 -19.607 1.00 0.00 H new ATOM 0 HB3 ASP A 35 35.728 5.165 -18.783 1.00 0.00 H new ATOM 542 N SER A 36 33.392 2.502 -19.803 1.00 0.00 N ATOM 543 CA SER A 36 33.510 1.050 -19.795 1.00 0.00 C ATOM 544 C SER A 36 33.399 0.508 -21.217 1.00 0.00 C ATOM 545 O SER A 36 33.681 -0.662 -21.480 1.00 0.00 O ATOM 546 CB SER A 36 32.455 0.417 -18.880 1.00 0.00 C ATOM 547 OG SER A 36 31.144 0.851 -19.204 1.00 0.00 O ATOM 0 H SER A 36 32.481 2.858 -19.514 1.00 0.00 H new ATOM 0 HA SER A 36 34.490 0.784 -19.398 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.508 -0.669 -18.961 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.675 0.670 -17.843 1.00 0.00 H new ATOM 0 HG SER A 36 30.895 1.601 -18.624 1.00 0.00 H new ATOM 553 N PHE A 37 32.987 1.379 -22.128 1.00 0.00 N ATOM 554 CA PHE A 37 32.941 1.061 -23.542 1.00 0.00 C ATOM 555 C PHE A 37 33.714 2.120 -24.312 1.00 0.00 C ATOM 556 O PHE A 37 33.657 3.303 -23.973 1.00 0.00 O ATOM 557 CB PHE A 37 31.495 1.001 -24.043 1.00 0.00 C ATOM 558 CG PHE A 37 30.652 -0.033 -23.348 1.00 0.00 C ATOM 559 CD1 PHE A 37 30.743 -1.370 -23.699 1.00 0.00 C ATOM 560 CD2 PHE A 37 29.767 0.335 -22.346 1.00 0.00 C ATOM 561 CE1 PHE A 37 29.967 -2.321 -23.064 1.00 0.00 C ATOM 562 CE2 PHE A 37 28.990 -0.612 -21.707 1.00 0.00 C ATOM 563 CZ PHE A 37 29.090 -1.942 -22.067 1.00 0.00 C ATOM 0 H PHE A 37 32.676 2.324 -21.904 1.00 0.00 H new ATOM 0 HA PHE A 37 33.392 0.082 -23.700 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.034 1.980 -23.911 1.00 0.00 H new ATOM 0 HB3 PHE A 37 31.500 0.793 -25.113 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.428 -1.672 -24.477 1.00 0.00 H new ATOM 0 HD2 PHE A 37 29.684 1.374 -22.062 1.00 0.00 H new ATOM 0 HE1 PHE A 37 30.046 -3.360 -23.347 1.00 0.00 H new ATOM 0 HE2 PHE A 37 28.305 -0.313 -20.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 28.483 -2.684 -21.569 1.00 0.00 H new ATOM 573 N GLY A 38 34.447 1.699 -25.328 1.00 0.00 N ATOM 574 CA GLY A 38 35.226 2.639 -26.111 1.00 0.00 C ATOM 575 C GLY A 38 34.487 3.064 -27.356 1.00 0.00 C ATOM 576 O GLY A 38 33.684 3.994 -27.326 1.00 0.00 O ATOM 0 H GLY A 38 34.519 0.726 -25.626 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.457 3.516 -25.506 1.00 0.00 H new ATOM 0 HA3 GLY A 38 36.177 2.184 -26.388 1.00 0.00 H new ATOM 580 N MET A 39 34.740 2.367 -28.449 1.00 0.00 N ATOM 581 CA MET A 39 34.006 2.598 -29.684 1.00 0.00 C ATOM 582 C MET A 39 32.966 1.500 -29.854 1.00 0.00 C ATOM 583 O MET A 39 32.368 1.342 -30.917 1.00 0.00 O ATOM 584 CB MET A 39 34.953 2.633 -30.890 1.00 0.00 C ATOM 585 CG MET A 39 35.633 1.306 -31.185 1.00 0.00 C ATOM 586 SD MET A 39 36.752 1.393 -32.599 1.00 0.00 S ATOM 587 CE MET A 39 35.620 1.887 -33.899 1.00 0.00 C ATOM 0 H MET A 39 35.448 1.635 -28.509 1.00 0.00 H new ATOM 0 HA MET A 39 33.510 3.567 -29.628 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.391 2.944 -31.770 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.718 3.390 -30.716 1.00 0.00 H new ATOM 0 HG2 MET A 39 36.191 0.985 -30.305 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.873 0.548 -31.375 1.00 0.00 H new ATOM 0 HE1 MET A 39 36.068 1.678 -34.870 1.00 0.00 H new ATOM 0 HE2 MET A 39 34.688 1.330 -33.801 1.00 0.00 H new ATOM 0 HE3 MET A 39 35.415 2.954 -33.816 1.00 0.00 H new ATOM 597 N ASP A 40 32.771 0.741 -28.781 1.00 0.00 N ATOM 598 CA ASP A 40 31.826 -0.368 -28.766 1.00 0.00 C ATOM 599 C ASP A 40 30.401 0.141 -28.905 1.00 0.00 C ATOM 600 O ASP A 40 29.695 -0.191 -29.855 1.00 0.00 O ATOM 601 CB ASP A 40 31.945 -1.157 -27.456 1.00 0.00 C ATOM 602 CG ASP A 40 33.348 -1.656 -27.184 1.00 0.00 C ATOM 603 OD1 ASP A 40 34.166 -0.875 -26.648 1.00 0.00 O ATOM 604 OD2 ASP A 40 33.639 -2.828 -27.494 1.00 0.00 O ATOM 0 H ASP A 40 33.263 0.878 -27.898 1.00 0.00 H new ATOM 0 HA ASP A 40 32.063 -1.019 -29.608 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.625 -0.524 -26.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 31.264 -2.008 -27.489 1.00 0.00 H new ATOM 609 N VAL A 41 29.990 0.960 -27.952 1.00 0.00 N ATOM 610 CA VAL A 41 28.622 1.439 -27.895 1.00 0.00 C ATOM 611 C VAL A 41 28.573 2.942 -28.125 1.00 0.00 C ATOM 612 O VAL A 41 29.385 3.685 -27.575 1.00 0.00 O ATOM 613 CB VAL A 41 27.981 1.109 -26.531 1.00 0.00 C ATOM 614 CG1 VAL A 41 26.509 1.497 -26.506 1.00 0.00 C ATOM 615 CG2 VAL A 41 28.154 -0.366 -26.206 1.00 0.00 C ATOM 0 H VAL A 41 30.589 1.308 -27.204 1.00 0.00 H new ATOM 0 HA VAL A 41 28.060 0.936 -28.682 1.00 0.00 H new ATOM 0 HB VAL A 41 28.492 1.695 -25.767 1.00 0.00 H new ATOM 0 HG11 VAL A 41 26.085 1.252 -25.532 1.00 0.00 H new ATOM 0 HG12 VAL A 41 26.412 2.568 -26.686 1.00 0.00 H new ATOM 0 HG13 VAL A 41 25.975 0.949 -27.282 1.00 0.00 H new ATOM 0 HG21 VAL A 41 27.696 -0.582 -25.241 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.674 -0.967 -26.978 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.216 -0.608 -26.166 1.00 0.00 H new ATOM 625 N ALA A 42 27.635 3.377 -28.953 1.00 0.00 N ATOM 626 CA ALA A 42 27.431 4.797 -29.198 1.00 0.00 C ATOM 627 C ALA A 42 26.984 5.494 -27.918 1.00 0.00 C ATOM 628 O ALA A 42 26.116 4.990 -27.198 1.00 0.00 O ATOM 629 CB ALA A 42 26.404 5.002 -30.302 1.00 0.00 C ATOM 0 H ALA A 42 27.002 2.765 -29.468 1.00 0.00 H new ATOM 0 HA ALA A 42 28.376 5.235 -29.520 1.00 0.00 H new ATOM 0 HB1 ALA A 42 26.262 6.069 -30.474 1.00 0.00 H new ATOM 0 HB2 ALA A 42 26.757 4.531 -31.219 1.00 0.00 H new ATOM 0 HB3 ALA A 42 25.456 4.553 -30.005 1.00 0.00 H new ATOM 635 N ASP A 43 27.562 6.657 -27.642 1.00 0.00 N ATOM 636 CA ASP A 43 27.283 7.377 -26.400 1.00 0.00 C ATOM 637 C ASP A 43 25.849 7.900 -26.375 1.00 0.00 C ATOM 638 O ASP A 43 25.339 8.277 -25.323 1.00 0.00 O ATOM 639 CB ASP A 43 28.273 8.532 -26.191 1.00 0.00 C ATOM 640 CG ASP A 43 28.028 9.713 -27.112 1.00 0.00 C ATOM 641 OD1 ASP A 43 27.260 10.619 -26.731 1.00 0.00 O ATOM 642 OD2 ASP A 43 28.621 9.751 -28.211 1.00 0.00 O ATOM 0 H ASP A 43 28.227 7.123 -28.259 1.00 0.00 H new ATOM 0 HA ASP A 43 27.405 6.669 -25.581 1.00 0.00 H new ATOM 0 HB2 ASP A 43 28.212 8.869 -25.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.287 8.164 -26.347 1.00 0.00 H new ATOM 647 N ASP A 44 25.201 7.911 -27.534 1.00 0.00 N ATOM 648 CA ASP A 44 23.793 8.293 -27.619 1.00 0.00 C ATOM 649 C ASP A 44 22.912 7.240 -26.952 1.00 0.00 C ATOM 650 O ASP A 44 21.850 7.551 -26.413 1.00 0.00 O ATOM 651 CB ASP A 44 23.376 8.474 -29.083 1.00 0.00 C ATOM 652 CG ASP A 44 21.901 8.795 -29.239 1.00 0.00 C ATOM 653 OD1 ASP A 44 21.497 9.934 -28.926 1.00 0.00 O ATOM 654 OD2 ASP A 44 21.139 7.915 -29.690 1.00 0.00 O ATOM 0 H ASP A 44 25.625 7.661 -28.427 1.00 0.00 H new ATOM 0 HA ASP A 44 23.663 9.240 -27.096 1.00 0.00 H new ATOM 0 HB2 ASP A 44 23.966 9.275 -29.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.606 7.564 -29.637 1.00 0.00 H new ATOM 659 N SER A 45 23.376 5.995 -26.971 1.00 0.00 N ATOM 660 CA SER A 45 22.629 4.896 -26.380 1.00 0.00 C ATOM 661 C SER A 45 22.911 4.802 -24.883 1.00 0.00 C ATOM 662 O SER A 45 22.092 4.292 -24.119 1.00 0.00 O ATOM 663 CB SER A 45 22.984 3.576 -27.076 1.00 0.00 C ATOM 664 OG SER A 45 22.178 2.509 -26.601 1.00 0.00 O ATOM 0 H SER A 45 24.266 5.724 -27.390 1.00 0.00 H new ATOM 0 HA SER A 45 21.565 5.087 -26.518 1.00 0.00 H new ATOM 0 HB2 SER A 45 22.852 3.683 -28.153 1.00 0.00 H new ATOM 0 HB3 SER A 45 24.035 3.344 -26.906 1.00 0.00 H new ATOM 0 HG SER A 45 22.426 1.681 -27.063 1.00 0.00 H new ATOM 670 N ILE A 46 24.067 5.305 -24.468 1.00 0.00 N ATOM 671 CA ILE A 46 24.439 5.298 -23.060 1.00 0.00 C ATOM 672 C ILE A 46 23.868 6.525 -22.361 1.00 0.00 C ATOM 673 O ILE A 46 24.410 7.625 -22.467 1.00 0.00 O ATOM 674 CB ILE A 46 25.972 5.269 -22.868 1.00 0.00 C ATOM 675 CG1 ILE A 46 26.580 4.070 -23.603 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.322 5.214 -21.385 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.092 4.003 -23.520 1.00 0.00 C ATOM 0 H ILE A 46 24.762 5.723 -25.087 1.00 0.00 H new ATOM 0 HA ILE A 46 24.024 4.391 -22.620 1.00 0.00 H new ATOM 0 HB ILE A 46 26.390 6.183 -23.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.162 3.152 -23.189 1.00 0.00 H new ATOM 0 HG13 ILE A 46 26.285 4.111 -24.651 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.405 5.194 -21.267 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.919 6.093 -20.883 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.892 4.315 -20.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 28.448 3.128 -24.064 1.00 0.00 H new ATOM 0 HD12 ILE A 46 28.521 4.903 -23.961 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.396 3.930 -22.476 1.00 0.00 H new ATOM 689 N THR A 47 22.763 6.339 -21.665 1.00 0.00 N ATOM 690 CA THR A 47 22.095 7.440 -20.997 1.00 0.00 C ATOM 691 C THR A 47 21.983 7.183 -19.496 1.00 0.00 C ATOM 692 O THR A 47 21.550 6.110 -19.075 1.00 0.00 O ATOM 693 CB THR A 47 20.686 7.664 -21.584 1.00 0.00 C ATOM 694 OG1 THR A 47 20.770 7.838 -23.007 1.00 0.00 O ATOM 695 CG2 THR A 47 20.017 8.882 -20.962 1.00 0.00 C ATOM 0 H THR A 47 22.308 5.434 -21.547 1.00 0.00 H new ATOM 0 HA THR A 47 22.697 8.334 -21.159 1.00 0.00 H new ATOM 0 HB THR A 47 20.083 6.785 -21.355 1.00 0.00 H new ATOM 0 HG1 THR A 47 19.872 7.978 -23.373 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.026 9.014 -21.396 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.926 8.737 -19.886 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.620 9.768 -21.159 1.00 0.00 H new ATOM 703 N PRO A 48 22.403 8.156 -18.669 1.00 0.00 N ATOM 704 CA PRO A 48 22.218 8.092 -17.218 1.00 0.00 C ATOM 705 C PRO A 48 20.740 7.972 -16.864 1.00 0.00 C ATOM 706 O PRO A 48 19.907 8.680 -17.426 1.00 0.00 O ATOM 707 CB PRO A 48 22.789 9.424 -16.711 1.00 0.00 C ATOM 708 CG PRO A 48 22.869 10.304 -17.913 1.00 0.00 C ATOM 709 CD PRO A 48 23.093 9.388 -19.080 1.00 0.00 C ATOM 0 HA PRO A 48 22.708 7.226 -16.772 1.00 0.00 H new ATOM 0 HB2 PRO A 48 22.147 9.861 -15.946 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.772 9.284 -16.260 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.951 10.878 -18.038 1.00 0.00 H new ATOM 0 HG3 PRO A 48 23.684 11.022 -17.818 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.676 9.797 -20.000 1.00 0.00 H new ATOM 0 HD3 PRO A 48 24.154 9.216 -19.260 1.00 0.00 H new ATOM 717 N THR A 49 20.420 7.083 -15.932 1.00 0.00 N ATOM 718 CA THR A 49 19.031 6.779 -15.604 1.00 0.00 C ATOM 719 C THR A 49 18.273 8.017 -15.110 1.00 0.00 C ATOM 720 O THR A 49 17.070 8.140 -15.342 1.00 0.00 O ATOM 721 CB THR A 49 18.931 5.637 -14.566 1.00 0.00 C ATOM 722 OG1 THR A 49 17.561 5.381 -14.235 1.00 0.00 O ATOM 723 CG2 THR A 49 19.713 5.964 -13.303 1.00 0.00 C ATOM 0 H THR A 49 21.105 6.558 -15.388 1.00 0.00 H new ATOM 0 HA THR A 49 18.559 6.446 -16.528 1.00 0.00 H new ATOM 0 HB THR A 49 19.366 4.744 -15.016 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.513 4.655 -13.578 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.621 5.140 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.763 6.112 -13.554 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.315 6.874 -12.854 1.00 0.00 H new ATOM 731 N SER A 50 18.976 8.939 -14.460 1.00 0.00 N ATOM 732 CA SER A 50 18.365 10.181 -13.993 1.00 0.00 C ATOM 733 C SER A 50 17.853 11.002 -15.177 1.00 0.00 C ATOM 734 O SER A 50 16.798 11.627 -15.108 1.00 0.00 O ATOM 735 CB SER A 50 19.383 10.996 -13.188 1.00 0.00 C ATOM 736 OG SER A 50 18.800 12.159 -12.628 1.00 0.00 O ATOM 0 H SER A 50 19.969 8.851 -14.244 1.00 0.00 H new ATOM 0 HA SER A 50 17.520 9.934 -13.350 1.00 0.00 H new ATOM 0 HB2 SER A 50 19.796 10.377 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 50 20.213 11.281 -13.834 1.00 0.00 H new ATOM 0 HG SER A 50 18.790 12.082 -11.651 1.00 0.00 H new ATOM 742 N GLU A 51 18.596 10.961 -16.273 1.00 0.00 N ATOM 743 CA GLU A 51 18.261 11.733 -17.460 1.00 0.00 C ATOM 744 C GLU A 51 17.467 10.870 -18.441 1.00 0.00 C ATOM 745 O GLU A 51 17.056 11.325 -19.507 1.00 0.00 O ATOM 746 CB GLU A 51 19.550 12.237 -18.117 1.00 0.00 C ATOM 747 CG GLU A 51 19.335 13.300 -19.178 1.00 0.00 C ATOM 748 CD GLU A 51 20.627 13.693 -19.860 1.00 0.00 C ATOM 749 OE1 GLU A 51 21.492 14.303 -19.197 1.00 0.00 O ATOM 750 OE2 GLU A 51 20.788 13.392 -21.059 1.00 0.00 O ATOM 0 H GLU A 51 19.441 10.397 -16.365 1.00 0.00 H new ATOM 0 HA GLU A 51 17.646 12.587 -17.176 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.205 12.639 -17.344 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.070 11.391 -18.567 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.630 12.931 -19.923 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.884 14.181 -18.722 1.00 0.00 H new ATOM 757 N PHE A 52 17.250 9.620 -18.069 1.00 0.00 N ATOM 758 CA PHE A 52 16.573 8.673 -18.939 1.00 0.00 C ATOM 759 C PHE A 52 15.069 8.695 -18.691 1.00 0.00 C ATOM 760 O PHE A 52 14.273 8.483 -19.606 1.00 0.00 O ATOM 761 CB PHE A 52 17.130 7.264 -18.714 1.00 0.00 C ATOM 762 CG PHE A 52 16.671 6.262 -19.732 1.00 0.00 C ATOM 763 CD1 PHE A 52 17.233 6.242 -20.997 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.678 5.344 -19.428 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.816 5.327 -21.942 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.256 4.427 -20.368 1.00 0.00 C ATOM 767 CZ PHE A 52 15.826 4.418 -21.627 1.00 0.00 C ATOM 0 H PHE A 52 17.534 9.236 -17.168 1.00 0.00 H new ATOM 0 HA PHE A 52 16.752 8.962 -19.975 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.219 7.308 -18.726 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.836 6.921 -17.722 1.00 0.00 H new ATOM 0 HD1 PHE A 52 18.008 6.952 -21.247 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.230 5.347 -18.445 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.263 5.322 -22.925 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.481 3.717 -20.120 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.497 3.700 -22.364 1.00 0.00 H new ATOM 777 N VAL A 53 14.682 8.969 -17.452 1.00 0.00 N ATOM 778 CA VAL A 53 13.275 8.965 -17.083 1.00 0.00 C ATOM 779 C VAL A 53 12.618 10.309 -17.409 1.00 0.00 C ATOM 780 O VAL A 53 11.400 10.455 -17.313 1.00 0.00 O ATOM 781 CB VAL A 53 13.073 8.632 -15.586 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.821 7.363 -15.204 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.499 9.794 -14.699 1.00 0.00 C ATOM 0 H VAL A 53 15.320 9.196 -16.689 1.00 0.00 H new ATOM 0 HA VAL A 53 12.796 8.183 -17.672 1.00 0.00 H new ATOM 0 HB VAL A 53 12.008 8.461 -15.428 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.662 7.151 -14.147 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.451 6.529 -15.800 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.886 7.498 -15.391 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.345 9.529 -13.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.554 10.012 -14.866 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.904 10.674 -14.942 1.00 0.00 H new ATOM 793 N TRP A 54 13.430 11.285 -17.802 1.00 0.00 N ATOM 794 CA TRP A 54 12.922 12.595 -18.192 1.00 0.00 C ATOM 795 C TRP A 54 13.017 12.778 -19.701 1.00 0.00 C ATOM 796 O TRP A 54 14.090 12.633 -20.287 1.00 0.00 O ATOM 797 CB TRP A 54 13.695 13.715 -17.491 1.00 0.00 C ATOM 798 CG TRP A 54 13.397 13.835 -16.029 1.00 0.00 C ATOM 799 CD1 TRP A 54 14.163 13.382 -14.995 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.249 14.456 -15.437 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.562 13.682 -13.796 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.386 14.342 -14.041 1.00 0.00 C ATOM 803 CE3 TRP A 54 11.119 15.098 -15.953 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.435 14.844 -13.157 1.00 0.00 C ATOM 805 CZ3 TRP A 54 10.178 15.598 -15.074 1.00 0.00 C ATOM 806 CH2 TRP A 54 10.340 15.468 -13.690 1.00 0.00 C ATOM 0 H TRP A 54 14.444 11.193 -17.859 1.00 0.00 H new ATOM 0 HA TRP A 54 11.876 12.648 -17.889 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.763 13.542 -17.621 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.464 14.662 -17.978 1.00 0.00 H new ATOM 0 HD1 TRP A 54 15.104 12.863 -15.103 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.931 13.451 -12.874 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.984 15.201 -17.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.557 14.745 -12.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.302 16.098 -15.461 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.585 15.868 -13.029 1.00 0.00 H new ATOM 817 N SER A 55 11.896 13.095 -20.325 1.00 0.00 N ATOM 818 CA SER A 55 11.859 13.313 -21.762 1.00 0.00 C ATOM 819 C SER A 55 11.266 14.682 -22.085 1.00 0.00 C ATOM 820 O SER A 55 10.073 14.910 -21.896 1.00 0.00 O ATOM 821 CB SER A 55 11.046 12.206 -22.436 1.00 0.00 C ATOM 822 OG SER A 55 11.640 10.936 -22.213 1.00 0.00 O ATOM 0 H SER A 55 10.996 13.208 -19.858 1.00 0.00 H new ATOM 0 HA SER A 55 12.879 13.286 -22.145 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.027 12.209 -22.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.980 12.398 -23.507 1.00 0.00 H new ATOM 0 HG SER A 55 11.104 10.243 -22.651 1.00 0.00 H new ATOM 828 N SER A 56 12.110 15.598 -22.542 1.00 0.00 N ATOM 829 CA SER A 56 11.661 16.930 -22.917 1.00 0.00 C ATOM 830 C SER A 56 10.717 16.864 -24.115 1.00 0.00 C ATOM 831 O SER A 56 11.109 16.456 -25.210 1.00 0.00 O ATOM 832 CB SER A 56 12.865 17.812 -23.244 1.00 0.00 C ATOM 833 OG SER A 56 13.770 17.860 -22.154 1.00 0.00 O ATOM 0 H SER A 56 13.111 15.441 -22.662 1.00 0.00 H new ATOM 0 HA SER A 56 11.118 17.363 -22.077 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.374 17.426 -24.127 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.527 18.820 -23.486 1.00 0.00 H new ATOM 0 HG SER A 56 14.533 18.429 -22.387 1.00 0.00 H new ATOM 839 N VAL A 57 9.470 17.261 -23.900 1.00 0.00 N ATOM 840 CA VAL A 57 8.462 17.214 -24.953 1.00 0.00 C ATOM 841 C VAL A 57 8.131 18.612 -25.454 1.00 0.00 C ATOM 842 O VAL A 57 7.260 18.790 -26.308 1.00 0.00 O ATOM 843 CB VAL A 57 7.168 16.527 -24.476 1.00 0.00 C ATOM 844 CG1 VAL A 57 7.422 15.056 -24.198 1.00 0.00 C ATOM 845 CG2 VAL A 57 6.610 17.221 -23.241 1.00 0.00 C ATOM 0 H VAL A 57 9.131 17.619 -23.007 1.00 0.00 H new ATOM 0 HA VAL A 57 8.887 16.628 -25.768 1.00 0.00 H new ATOM 0 HB VAL A 57 6.425 16.605 -25.270 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.499 14.584 -23.862 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.768 14.568 -25.109 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.182 14.958 -23.423 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.697 16.718 -22.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.345 17.181 -22.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.388 18.262 -23.478 1.00 0.00 H new ATOM 855 N ARG A 58 8.826 19.598 -24.912 1.00 0.00 N ATOM 856 CA ARG A 58 8.638 20.981 -25.314 1.00 0.00 C ATOM 857 C ARG A 58 9.944 21.739 -25.089 1.00 0.00 C ATOM 858 O ARG A 58 10.964 21.120 -24.784 1.00 0.00 O ATOM 859 CB ARG A 58 7.472 21.603 -24.531 1.00 0.00 C ATOM 860 CG ARG A 58 6.819 22.783 -25.236 1.00 0.00 C ATOM 861 CD ARG A 58 5.304 22.760 -25.090 1.00 0.00 C ATOM 862 NE ARG A 58 4.865 22.999 -23.715 1.00 0.00 N ATOM 863 CZ ARG A 58 4.013 22.207 -23.059 1.00 0.00 C ATOM 864 NH1 ARG A 58 3.589 21.075 -23.609 1.00 0.00 N ATOM 865 NH2 ARG A 58 3.594 22.539 -21.847 1.00 0.00 N ATOM 0 H ARG A 58 9.531 19.464 -24.187 1.00 0.00 H new ATOM 0 HA ARG A 58 8.382 21.039 -26.372 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.718 20.837 -24.351 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.834 21.929 -23.556 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.210 23.714 -24.825 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.083 22.766 -26.293 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.869 23.517 -25.743 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.926 21.794 -25.425 1.00 0.00 H new ATOM 0 HE ARG A 58 5.231 23.818 -23.229 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.914 20.806 -24.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.938 20.474 -23.103 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.922 23.401 -21.412 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.943 21.932 -21.348 1.00 0.00 H new ATOM 879 N ASP A 59 9.919 23.060 -25.250 1.00 0.00 N ATOM 880 CA ASP A 59 11.121 23.884 -25.108 1.00 0.00 C ATOM 881 C ASP A 59 11.815 23.638 -23.770 1.00 0.00 C ATOM 882 O ASP A 59 12.999 23.302 -23.725 1.00 0.00 O ATOM 883 CB ASP A 59 10.768 25.367 -25.250 1.00 0.00 C ATOM 884 CG ASP A 59 11.964 26.277 -25.038 1.00 0.00 C ATOM 885 OD1 ASP A 59 12.940 26.178 -25.812 1.00 0.00 O ATOM 886 OD2 ASP A 59 11.933 27.099 -24.096 1.00 0.00 O ATOM 0 H ASP A 59 9.076 23.586 -25.480 1.00 0.00 H new ATOM 0 HA ASP A 59 11.812 23.601 -25.902 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.353 25.544 -26.242 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.991 25.622 -24.530 1.00 0.00 H new ATOM 891 N ASP A 60 11.074 23.800 -22.686 1.00 0.00 N ATOM 892 CA ASP A 60 11.619 23.584 -21.350 1.00 0.00 C ATOM 893 C ASP A 60 10.819 22.523 -20.600 1.00 0.00 C ATOM 894 O ASP A 60 11.320 21.889 -19.669 1.00 0.00 O ATOM 895 CB ASP A 60 11.615 24.896 -20.565 1.00 0.00 C ATOM 896 CG ASP A 60 12.190 24.744 -19.172 1.00 0.00 C ATOM 897 OD1 ASP A 60 13.431 24.735 -19.035 1.00 0.00 O ATOM 898 OD2 ASP A 60 11.407 24.652 -18.206 1.00 0.00 O ATOM 0 H ASP A 60 10.093 24.080 -22.702 1.00 0.00 H new ATOM 0 HA ASP A 60 12.645 23.230 -21.452 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.190 25.644 -21.112 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.593 25.269 -20.493 1.00 0.00 H new ATOM 903 N VAL A 61 9.581 22.324 -21.025 1.00 0.00 N ATOM 904 CA VAL A 61 8.684 21.389 -20.363 1.00 0.00 C ATOM 905 C VAL A 61 9.100 19.941 -20.628 1.00 0.00 C ATOM 906 O VAL A 61 9.251 19.521 -21.781 1.00 0.00 O ATOM 907 CB VAL A 61 7.228 21.603 -20.822 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.277 20.729 -20.025 1.00 0.00 C ATOM 909 CG2 VAL A 61 6.841 23.067 -20.696 1.00 0.00 C ATOM 0 H VAL A 61 9.173 22.800 -21.829 1.00 0.00 H new ATOM 0 HA VAL A 61 8.749 21.580 -19.292 1.00 0.00 H new ATOM 0 HB VAL A 61 7.155 21.315 -21.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.256 20.897 -20.366 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.540 19.681 -20.168 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.352 20.980 -18.967 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.810 23.200 -21.024 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.934 23.380 -19.656 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.501 23.673 -21.317 1.00 0.00 H new ATOM 919 N MET A 62 9.277 19.185 -19.553 1.00 0.00 N ATOM 920 CA MET A 62 9.716 17.801 -19.646 1.00 0.00 C ATOM 921 C MET A 62 8.602 16.852 -19.223 1.00 0.00 C ATOM 922 O MET A 62 7.789 17.171 -18.352 1.00 0.00 O ATOM 923 CB MET A 62 10.950 17.566 -18.769 1.00 0.00 C ATOM 924 CG MET A 62 12.164 18.387 -19.174 1.00 0.00 C ATOM 925 SD MET A 62 13.603 18.057 -18.138 1.00 0.00 S ATOM 926 CE MET A 62 12.986 18.544 -16.527 1.00 0.00 C ATOM 0 H MET A 62 9.122 19.511 -18.599 1.00 0.00 H new ATOM 0 HA MET A 62 9.975 17.602 -20.686 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.697 17.797 -17.734 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.212 16.508 -18.804 1.00 0.00 H new ATOM 0 HG2 MET A 62 12.413 18.172 -20.213 1.00 0.00 H new ATOM 0 HG3 MET A 62 11.916 19.447 -19.118 1.00 0.00 H new ATOM 0 HE1 MET A 62 13.825 18.705 -15.850 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.413 19.467 -16.620 1.00 0.00 H new ATOM 0 HE3 MET A 62 12.345 17.757 -16.130 1.00 0.00 H new ATOM 936 N ARG A 63 8.568 15.691 -19.852 1.00 0.00 N ATOM 937 CA ARG A 63 7.590 14.666 -19.541 1.00 0.00 C ATOM 938 C ARG A 63 8.237 13.584 -18.684 1.00 0.00 C ATOM 939 O ARG A 63 9.388 13.211 -18.920 1.00 0.00 O ATOM 940 CB ARG A 63 7.064 14.038 -20.835 1.00 0.00 C ATOM 941 CG ARG A 63 5.847 13.154 -20.639 1.00 0.00 C ATOM 942 CD ARG A 63 4.560 13.929 -20.855 1.00 0.00 C ATOM 943 NE ARG A 63 4.333 14.222 -22.269 1.00 0.00 N ATOM 944 CZ ARG A 63 3.418 15.076 -22.723 1.00 0.00 C ATOM 945 NH1 ARG A 63 2.669 15.780 -21.883 1.00 0.00 N ATOM 946 NH2 ARG A 63 3.263 15.227 -24.030 1.00 0.00 N ATOM 0 H ARG A 63 9.219 15.433 -20.594 1.00 0.00 H new ATOM 0 HA ARG A 63 6.762 15.119 -18.996 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.814 14.833 -21.538 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.860 13.448 -21.291 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.889 12.315 -21.333 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.857 12.736 -19.632 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.720 13.355 -20.463 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.599 14.862 -20.292 1.00 0.00 H new ATOM 0 HE ARG A 63 4.915 13.740 -22.954 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.791 15.670 -20.876 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.972 16.431 -22.244 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.842 14.692 -24.677 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.565 15.878 -24.389 1.00 0.00 H new ATOM 960 N LEU A 64 7.513 13.093 -17.690 1.00 0.00 N ATOM 961 CA LEU A 64 7.993 11.974 -16.895 1.00 0.00 C ATOM 962 C LEU A 64 7.736 10.686 -17.667 1.00 0.00 C ATOM 963 O LEU A 64 6.583 10.330 -17.933 1.00 0.00 O ATOM 964 CB LEU A 64 7.294 11.939 -15.528 1.00 0.00 C ATOM 965 CG LEU A 64 8.045 11.214 -14.395 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.180 9.723 -14.670 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.416 11.839 -14.182 1.00 0.00 C ATOM 0 H LEU A 64 6.597 13.449 -17.416 1.00 0.00 H new ATOM 0 HA LEU A 64 9.062 12.085 -16.712 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.108 12.966 -15.213 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.322 11.463 -15.653 1.00 0.00 H new ATOM 0 HG LEU A 64 7.456 11.329 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.715 9.248 -13.848 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.189 9.279 -14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.733 9.573 -15.597 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.934 11.315 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.998 11.761 -15.100 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.300 12.889 -13.915 1.00 0.00 H new ATOM 979 N GLY A 65 8.810 10.012 -18.046 1.00 0.00 N ATOM 980 CA GLY A 65 8.695 8.800 -18.825 1.00 0.00 C ATOM 981 C GLY A 65 8.087 7.664 -18.041 1.00 0.00 C ATOM 982 O GLY A 65 8.670 7.184 -17.083 1.00 0.00 O ATOM 0 H GLY A 65 9.767 10.287 -17.825 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.085 8.996 -19.707 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.683 8.505 -19.179 1.00 0.00 H new ATOM 986 N ARG A 66 6.885 7.271 -18.401 1.00 0.00 N ATOM 987 CA ARG A 66 6.291 6.068 -17.844 1.00 0.00 C ATOM 988 C ARG A 66 6.962 4.819 -18.420 1.00 0.00 C ATOM 989 O ARG A 66 6.941 3.749 -17.816 1.00 0.00 O ATOM 990 CB ARG A 66 4.779 6.053 -18.084 1.00 0.00 C ATOM 991 CG ARG A 66 4.377 6.393 -19.510 1.00 0.00 C ATOM 992 CD ARG A 66 3.371 7.536 -19.548 1.00 0.00 C ATOM 993 NE ARG A 66 3.911 8.778 -18.979 1.00 0.00 N ATOM 994 CZ ARG A 66 3.390 9.991 -19.194 1.00 0.00 C ATOM 995 NH1 ARG A 66 2.313 10.139 -19.952 1.00 0.00 N ATOM 996 NH2 ARG A 66 3.950 11.063 -18.650 1.00 0.00 N ATOM 0 H ARG A 66 6.298 7.763 -19.075 1.00 0.00 H new ATOM 0 HA ARG A 66 6.456 6.065 -16.767 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.391 5.066 -17.834 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.306 6.763 -17.405 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.263 6.667 -20.083 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.947 5.513 -19.988 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.067 7.714 -20.579 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.476 7.247 -18.997 1.00 0.00 H new ATOM 0 HE ARG A 66 4.735 8.711 -18.382 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.873 9.323 -20.378 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.924 11.069 -20.109 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.780 10.964 -18.066 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.550 11.987 -18.816 1.00 0.00 H new ATOM 1010 N GLU A 67 7.572 4.981 -19.591 1.00 0.00 N ATOM 1011 CA GLU A 67 8.165 3.867 -20.332 1.00 0.00 C ATOM 1012 C GLU A 67 9.426 3.313 -19.660 1.00 0.00 C ATOM 1013 O GLU A 67 9.773 2.147 -19.858 1.00 0.00 O ATOM 1014 CB GLU A 67 8.481 4.318 -21.758 1.00 0.00 C ATOM 1015 CG GLU A 67 9.407 5.523 -21.826 1.00 0.00 C ATOM 1016 CD GLU A 67 9.413 6.172 -23.191 1.00 0.00 C ATOM 1017 OE1 GLU A 67 8.538 7.025 -23.446 1.00 0.00 O ATOM 1018 OE2 GLU A 67 10.285 5.833 -24.017 1.00 0.00 O ATOM 0 H GLU A 67 7.670 5.885 -20.054 1.00 0.00 H new ATOM 0 HA GLU A 67 7.436 3.056 -20.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.937 3.489 -22.299 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.549 4.558 -22.269 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.100 6.256 -21.080 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.420 5.213 -21.570 1.00 0.00 H new ATOM 1025 N GLN A 68 10.102 4.141 -18.865 1.00 0.00 N ATOM 1026 CA GLN A 68 11.347 3.730 -18.209 1.00 0.00 C ATOM 1027 C GLN A 68 11.135 2.505 -17.318 1.00 0.00 C ATOM 1028 O GLN A 68 12.036 1.681 -17.168 1.00 0.00 O ATOM 1029 CB GLN A 68 11.986 4.895 -17.423 1.00 0.00 C ATOM 1030 CG GLN A 68 11.018 5.749 -16.620 1.00 0.00 C ATOM 1031 CD GLN A 68 10.525 5.106 -15.340 1.00 0.00 C ATOM 1032 OE1 GLN A 68 11.210 4.294 -14.729 1.00 0.00 O ATOM 1033 NE2 GLN A 68 9.334 5.492 -14.916 1.00 0.00 N ATOM 0 H GLN A 68 9.812 5.097 -18.659 1.00 0.00 H new ATOM 0 HA GLN A 68 12.047 3.445 -18.994 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.733 4.485 -16.743 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.514 5.539 -18.126 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.504 6.693 -16.373 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.158 5.988 -17.246 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.796 6.171 -15.455 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.953 5.111 -14.050 1.00 0.00 H new ATOM 1042 N LEU A 69 9.932 2.377 -16.765 1.00 0.00 N ATOM 1043 CA LEU A 69 9.602 1.275 -15.864 1.00 0.00 C ATOM 1044 C LEU A 69 9.860 -0.078 -16.524 1.00 0.00 C ATOM 1045 O LEU A 69 10.403 -0.990 -15.901 1.00 0.00 O ATOM 1046 CB LEU A 69 8.134 1.368 -15.446 1.00 0.00 C ATOM 1047 CG LEU A 69 7.740 2.663 -14.737 1.00 0.00 C ATOM 1048 CD1 LEU A 69 6.230 2.763 -14.612 1.00 0.00 C ATOM 1049 CD2 LEU A 69 8.395 2.740 -13.366 1.00 0.00 C ATOM 0 H LEU A 69 9.164 3.028 -16.926 1.00 0.00 H new ATOM 0 HA LEU A 69 10.242 1.355 -14.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.512 1.255 -16.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.906 0.529 -14.789 1.00 0.00 H new ATOM 0 HG LEU A 69 8.092 3.504 -15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.968 3.691 -14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.781 2.753 -15.605 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.856 1.917 -14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.104 3.669 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.073 1.893 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.479 2.714 -13.479 1.00 0.00 H new ATOM 1061 N GLN A 70 9.484 -0.191 -17.793 1.00 0.00 N ATOM 1062 CA GLN A 70 9.625 -1.444 -18.524 1.00 0.00 C ATOM 1063 C GLN A 70 11.089 -1.806 -18.739 1.00 0.00 C ATOM 1064 O GLN A 70 11.447 -2.979 -18.755 1.00 0.00 O ATOM 1065 CB GLN A 70 8.894 -1.367 -19.866 1.00 0.00 C ATOM 1066 CG GLN A 70 7.394 -1.587 -19.743 1.00 0.00 C ATOM 1067 CD GLN A 70 7.044 -2.999 -19.297 1.00 0.00 C ATOM 1068 OE1 GLN A 70 6.061 -3.213 -18.590 1.00 0.00 O ATOM 1069 NE2 GLN A 70 7.827 -3.978 -19.733 1.00 0.00 N ATOM 0 H GLN A 70 9.079 0.571 -18.337 1.00 0.00 H new ATOM 0 HA GLN A 70 9.173 -2.230 -17.920 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.076 -0.391 -20.316 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.310 -2.113 -20.543 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.983 -0.872 -19.030 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.921 -1.386 -20.704 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.634 -3.763 -20.318 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.621 -4.945 -19.483 1.00 0.00 H new ATOM 1078 N ILE A 71 11.928 -0.805 -18.927 1.00 0.00 N ATOM 1079 CA ILE A 71 13.352 -1.046 -19.107 1.00 0.00 C ATOM 1080 C ILE A 71 14.039 -1.351 -17.773 1.00 0.00 C ATOM 1081 O ILE A 71 14.900 -2.226 -17.696 1.00 0.00 O ATOM 1082 CB ILE A 71 14.040 0.143 -19.810 1.00 0.00 C ATOM 1083 CG1 ILE A 71 13.376 0.384 -21.173 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.535 -0.120 -19.978 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.966 1.537 -21.953 1.00 0.00 C ATOM 0 H ILE A 71 11.654 0.177 -18.959 1.00 0.00 H new ATOM 0 HA ILE A 71 13.452 -1.922 -19.748 1.00 0.00 H new ATOM 0 HB ILE A 71 13.926 1.035 -19.194 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.458 -0.524 -21.770 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.313 0.570 -21.019 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.000 0.731 -20.476 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.992 -0.262 -18.999 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.681 -1.017 -20.580 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.441 1.640 -22.903 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.860 2.457 -21.378 1.00 0.00 H new ATOM 0 HD13 ILE A 71 15.023 1.346 -22.141 1.00 0.00 H new ATOM 1097 N LEU A 72 13.635 -0.647 -16.721 1.00 0.00 N ATOM 1098 CA LEU A 72 14.283 -0.783 -15.418 1.00 0.00 C ATOM 1099 C LEU A 72 13.986 -2.132 -14.769 1.00 0.00 C ATOM 1100 O LEU A 72 14.827 -2.672 -14.052 1.00 0.00 O ATOM 1101 CB LEU A 72 13.852 0.345 -14.474 1.00 0.00 C ATOM 1102 CG LEU A 72 14.201 1.762 -14.939 1.00 0.00 C ATOM 1103 CD1 LEU A 72 13.856 2.774 -13.860 1.00 0.00 C ATOM 1104 CD2 LEU A 72 15.674 1.860 -15.313 1.00 0.00 C ATOM 0 H LEU A 72 12.865 0.022 -16.743 1.00 0.00 H new ATOM 0 HA LEU A 72 15.357 -0.719 -15.593 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.773 0.283 -14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.313 0.177 -13.501 1.00 0.00 H new ATOM 0 HG LEU A 72 13.609 1.987 -15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.110 3.776 -14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.789 2.725 -13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.421 2.548 -12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.900 2.875 -15.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.287 1.614 -14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 15.891 1.161 -16.121 1.00 0.00 H new ATOM 1116 N LEU A 73 12.799 -2.679 -15.033 1.00 0.00 N ATOM 1117 CA LEU A 73 12.373 -3.936 -14.412 1.00 0.00 C ATOM 1118 C LEU A 73 13.314 -5.094 -14.749 1.00 0.00 C ATOM 1119 O LEU A 73 13.347 -6.096 -14.033 1.00 0.00 O ATOM 1120 CB LEU A 73 10.912 -4.272 -14.762 1.00 0.00 C ATOM 1121 CG LEU A 73 10.549 -4.365 -16.249 1.00 0.00 C ATOM 1122 CD1 LEU A 73 11.036 -5.669 -16.865 1.00 0.00 C ATOM 1123 CD2 LEU A 73 9.046 -4.229 -16.421 1.00 0.00 C ATOM 0 H LEU A 73 12.115 -2.273 -15.672 1.00 0.00 H new ATOM 0 HA LEU A 73 12.426 -3.791 -13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.663 -5.224 -14.294 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.273 -3.516 -14.305 1.00 0.00 H new ATOM 0 HG LEU A 73 11.049 -3.549 -16.771 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.760 -5.699 -17.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.120 -5.733 -16.771 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.577 -6.510 -16.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.793 -4.296 -17.479 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.544 -5.029 -15.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.721 -3.265 -16.030 1.00 0.00 H new ATOM 1135 N GLU A 74 14.046 -4.966 -15.859 1.00 0.00 N ATOM 1136 CA GLU A 74 15.043 -5.964 -16.253 1.00 0.00 C ATOM 1137 C GLU A 74 15.989 -6.274 -15.093 1.00 0.00 C ATOM 1138 O GLU A 74 16.447 -7.406 -14.934 1.00 0.00 O ATOM 1139 CB GLU A 74 15.855 -5.462 -17.449 1.00 0.00 C ATOM 1140 CG GLU A 74 15.042 -5.275 -18.721 1.00 0.00 C ATOM 1141 CD GLU A 74 14.576 -6.586 -19.320 1.00 0.00 C ATOM 1142 OE1 GLU A 74 15.425 -7.344 -19.834 1.00 0.00 O ATOM 1143 OE2 GLU A 74 13.359 -6.861 -19.299 1.00 0.00 O ATOM 0 H GLU A 74 13.966 -4.178 -16.502 1.00 0.00 H new ATOM 0 HA GLU A 74 14.513 -6.875 -16.531 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.320 -4.512 -17.185 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.662 -6.167 -17.648 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.175 -4.652 -18.504 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.643 -4.739 -19.455 1.00 0.00 H new ATOM 1150 N GLN A 75 16.276 -5.259 -14.286 1.00 0.00 N ATOM 1151 CA GLN A 75 17.124 -5.418 -13.115 1.00 0.00 C ATOM 1152 C GLN A 75 16.274 -5.267 -11.856 1.00 0.00 C ATOM 1153 O GLN A 75 15.500 -4.321 -11.735 1.00 0.00 O ATOM 1154 CB GLN A 75 18.250 -4.381 -13.130 1.00 0.00 C ATOM 1155 CG GLN A 75 19.006 -4.312 -14.451 1.00 0.00 C ATOM 1156 CD GLN A 75 19.635 -5.634 -14.842 1.00 0.00 C ATOM 1157 OE1 GLN A 75 20.033 -6.426 -13.987 1.00 0.00 O ATOM 1158 NE2 GLN A 75 19.719 -5.887 -16.138 1.00 0.00 N ATOM 0 H GLN A 75 15.929 -4.310 -14.425 1.00 0.00 H new ATOM 0 HA GLN A 75 17.577 -6.410 -13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.830 -3.399 -12.911 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.954 -4.612 -12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 75 18.323 -3.994 -15.238 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.785 -3.553 -14.379 1.00 0.00 H new ATOM 0 HE21 GLN A 75 19.377 -5.204 -16.814 1.00 0.00 H new ATOM 0 HE22 GLN A 75 20.125 -6.765 -16.461 1.00 0.00 H new ATOM 1167 N ASN A 76 16.414 -6.193 -10.919 1.00 0.00 N ATOM 1168 CA ASN A 76 15.534 -6.218 -9.753 1.00 0.00 C ATOM 1169 C ASN A 76 16.183 -5.573 -8.538 1.00 0.00 C ATOM 1170 O ASN A 76 15.578 -5.498 -7.466 1.00 0.00 O ATOM 1171 CB ASN A 76 15.116 -7.653 -9.418 1.00 0.00 C ATOM 1172 CG ASN A 76 14.237 -8.282 -10.485 1.00 0.00 C ATOM 1173 OD1 ASN A 76 14.264 -9.495 -10.688 1.00 0.00 O ATOM 1174 ND2 ASN A 76 13.442 -7.472 -11.169 1.00 0.00 N ATOM 0 H ASN A 76 17.119 -6.930 -10.939 1.00 0.00 H new ATOM 0 HA ASN A 76 14.648 -5.637 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.009 -8.264 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.583 -7.657 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.827 -7.850 -11.890 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.445 -6.471 -10.975 1.00 0.00 H new ATOM 1181 N ILE A 77 17.409 -5.105 -8.700 1.00 0.00 N ATOM 1182 CA ILE A 77 18.104 -4.430 -7.615 1.00 0.00 C ATOM 1183 C ILE A 77 17.755 -2.945 -7.563 1.00 0.00 C ATOM 1184 O ILE A 77 18.457 -2.100 -8.120 1.00 0.00 O ATOM 1185 CB ILE A 77 19.639 -4.619 -7.681 1.00 0.00 C ATOM 1186 CG1 ILE A 77 20.120 -4.954 -9.104 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.060 -5.708 -6.711 1.00 0.00 C ATOM 1188 CD1 ILE A 77 20.027 -3.805 -10.087 1.00 0.00 C ATOM 0 H ILE A 77 17.942 -5.179 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 77 17.757 -4.901 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 77 20.105 -3.675 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 77 21.156 -5.289 -9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.533 -5.789 -9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.141 -5.840 -6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.773 -5.424 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.568 -6.643 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.387 -4.131 -11.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.989 -3.482 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.638 -2.974 -9.734 1.00 0.00 H new ATOM 1200 N ASN A 78 16.660 -2.642 -6.877 1.00 0.00 N ATOM 1201 CA ASN A 78 16.157 -1.276 -6.769 1.00 0.00 C ATOM 1202 C ASN A 78 17.167 -0.395 -6.048 1.00 0.00 C ATOM 1203 O ASN A 78 17.348 0.768 -6.396 1.00 0.00 O ATOM 1204 CB ASN A 78 14.824 -1.244 -6.009 1.00 0.00 C ATOM 1205 CG ASN A 78 13.884 -2.364 -6.415 1.00 0.00 C ATOM 1206 OD1 ASN A 78 13.883 -3.433 -5.802 1.00 0.00 O ATOM 1207 ND2 ASN A 78 13.084 -2.137 -7.445 1.00 0.00 N ATOM 0 H ASN A 78 16.097 -3.333 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 78 15.999 -0.897 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.020 -1.312 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.335 -0.285 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.437 -2.861 -7.757 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.115 -1.238 -7.926 1.00 0.00 H new ATOM 1214 N GLU A 79 17.830 -0.968 -5.048 1.00 0.00 N ATOM 1215 CA GLU A 79 18.840 -0.251 -4.274 1.00 0.00 C ATOM 1216 C GLU A 79 20.022 0.138 -5.160 1.00 0.00 C ATOM 1217 O GLU A 79 20.573 1.235 -5.047 1.00 0.00 O ATOM 1218 CB GLU A 79 19.323 -1.130 -3.118 1.00 0.00 C ATOM 1219 CG GLU A 79 20.303 -0.444 -2.180 1.00 0.00 C ATOM 1220 CD GLU A 79 19.680 0.710 -1.424 1.00 0.00 C ATOM 1221 OE1 GLU A 79 18.853 0.453 -0.525 1.00 0.00 O ATOM 1222 OE2 GLU A 79 20.028 1.874 -1.711 1.00 0.00 O ATOM 0 H GLU A 79 17.685 -1.933 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 79 18.393 0.660 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.458 -1.462 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.795 -2.023 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.689 -1.173 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.154 -0.079 -2.755 1.00 0.00 H new ATOM 1229 N ARG A 80 20.389 -0.768 -6.054 1.00 0.00 N ATOM 1230 CA ARG A 80 21.533 -0.568 -6.931 1.00 0.00 C ATOM 1231 C ARG A 80 21.183 0.408 -8.046 1.00 0.00 C ATOM 1232 O ARG A 80 21.980 1.266 -8.412 1.00 0.00 O ATOM 1233 CB ARG A 80 21.954 -1.906 -7.525 1.00 0.00 C ATOM 1234 CG ARG A 80 23.365 -1.925 -8.081 1.00 0.00 C ATOM 1235 CD ARG A 80 23.732 -3.308 -8.589 1.00 0.00 C ATOM 1236 NE ARG A 80 25.111 -3.374 -9.061 1.00 0.00 N ATOM 1237 CZ ARG A 80 25.571 -4.308 -9.889 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.765 -5.277 -10.311 1.00 0.00 N ATOM 1239 NH2 ARG A 80 26.839 -4.282 -10.277 1.00 0.00 N ATOM 0 H ARG A 80 19.906 -1.656 -6.192 1.00 0.00 H new ATOM 0 HA ARG A 80 22.357 -0.150 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.868 -2.675 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.259 -2.172 -8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.450 -1.202 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.069 -1.620 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 23.588 -4.036 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 80 23.059 -3.586 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 80 25.763 -2.660 -8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.794 -5.304 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.118 -5.993 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 80 27.460 -3.546 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 80 27.193 -4.998 -10.912 1.00 0.00 H new ATOM 1253 N LEU A 81 19.978 0.259 -8.577 1.00 0.00 N ATOM 1254 CA LEU A 81 19.480 1.149 -9.625 1.00 0.00 C ATOM 1255 C LEU A 81 19.069 2.503 -9.052 1.00 0.00 C ATOM 1256 O LEU A 81 18.822 3.451 -9.798 1.00 0.00 O ATOM 1257 CB LEU A 81 18.290 0.516 -10.343 1.00 0.00 C ATOM 1258 CG LEU A 81 18.599 -0.737 -11.160 1.00 0.00 C ATOM 1259 CD1 LEU A 81 17.323 -1.286 -11.774 1.00 0.00 C ATOM 1260 CD2 LEU A 81 19.624 -0.432 -12.240 1.00 0.00 C ATOM 0 H LEU A 81 19.322 -0.472 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 81 20.290 1.305 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.533 0.265 -9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.851 1.261 -11.007 1.00 0.00 H new ATOM 0 HG LEU A 81 19.020 -1.492 -10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.554 -2.179 -12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.618 -1.540 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.880 -0.534 -12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.831 -1.337 -12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.232 0.336 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.545 -0.076 -11.778 1.00 0.00 H new ATOM 1272 N ASN A 82 18.985 2.569 -7.724 1.00 0.00 N ATOM 1273 CA ASN A 82 18.664 3.806 -7.001 1.00 0.00 C ATOM 1274 C ASN A 82 17.203 4.206 -7.175 1.00 0.00 C ATOM 1275 O ASN A 82 16.855 5.377 -7.033 1.00 0.00 O ATOM 1276 CB ASN A 82 19.576 4.961 -7.433 1.00 0.00 C ATOM 1277 CG ASN A 82 21.024 4.733 -7.057 1.00 0.00 C ATOM 1278 OD1 ASN A 82 21.449 5.073 -5.956 1.00 0.00 O ATOM 1279 ND2 ASN A 82 21.799 4.178 -7.973 1.00 0.00 N ATOM 0 H ASN A 82 19.138 1.766 -7.114 1.00 0.00 H new ATOM 0 HA ASN A 82 18.836 3.600 -5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 82 19.502 5.093 -8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.227 5.886 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 82 22.787 4.019 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.409 3.909 -8.876 1.00 0.00 H new ATOM 1286 N ILE A 83 16.347 3.228 -7.453 1.00 0.00 N ATOM 1287 CA ILE A 83 14.913 3.478 -7.563 1.00 0.00 C ATOM 1288 C ILE A 83 14.369 4.003 -6.233 1.00 0.00 C ATOM 1289 O ILE A 83 14.483 3.346 -5.195 1.00 0.00 O ATOM 1290 CB ILE A 83 14.138 2.204 -8.016 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.037 2.145 -9.545 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.742 2.145 -7.410 1.00 0.00 C ATOM 1293 CD1 ILE A 83 15.368 2.077 -10.256 1.00 0.00 C ATOM 0 H ILE A 83 16.620 2.257 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 83 14.761 4.236 -8.331 1.00 0.00 H new ATOM 0 HB ILE A 83 14.702 1.343 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.445 1.274 -9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.496 3.024 -9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.235 1.242 -7.751 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.818 2.130 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.173 3.020 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.204 2.038 -11.333 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.957 2.961 -10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.905 1.183 -9.938 1.00 0.00 H new ATOM 1305 N GLY A 84 13.807 5.205 -6.276 1.00 0.00 N ATOM 1306 CA GLY A 84 13.316 5.850 -5.074 1.00 0.00 C ATOM 1307 C GLY A 84 12.008 5.268 -4.582 1.00 0.00 C ATOM 1308 O GLY A 84 11.363 4.492 -5.285 1.00 0.00 O ATOM 0 H GLY A 84 13.682 5.748 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.066 5.760 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.184 6.914 -5.268 1.00 0.00 H new ATOM 1312 N GLU A 85 11.605 5.677 -3.386 1.00 0.00 N ATOM 1313 CA GLU A 85 10.394 5.171 -2.744 1.00 0.00 C ATOM 1314 C GLU A 85 9.150 5.340 -3.627 1.00 0.00 C ATOM 1315 O GLU A 85 8.443 4.363 -3.890 1.00 0.00 O ATOM 1316 CB GLU A 85 10.189 5.864 -1.394 1.00 0.00 C ATOM 1317 CG GLU A 85 11.166 5.409 -0.325 1.00 0.00 C ATOM 1318 CD GLU A 85 10.860 4.015 0.175 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.835 3.072 -0.640 1.00 0.00 O ATOM 1320 OE2 GLU A 85 10.617 3.859 1.390 1.00 0.00 O ATOM 0 H GLU A 85 12.108 6.370 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 85 10.530 4.101 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.286 6.941 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.172 5.677 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.179 5.434 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.137 6.107 0.511 1.00 0.00 H new ATOM 1327 N PRO A 86 8.859 6.566 -4.114 1.00 0.00 N ATOM 1328 CA PRO A 86 7.696 6.807 -4.975 1.00 0.00 C ATOM 1329 C PRO A 86 7.835 6.144 -6.344 1.00 0.00 C ATOM 1330 O PRO A 86 6.875 6.064 -7.109 1.00 0.00 O ATOM 1331 CB PRO A 86 7.665 8.326 -5.120 1.00 0.00 C ATOM 1332 CG PRO A 86 9.063 8.765 -4.873 1.00 0.00 C ATOM 1333 CD PRO A 86 9.612 7.813 -3.857 1.00 0.00 C ATOM 0 HA PRO A 86 6.785 6.388 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.329 8.621 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.978 8.777 -4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.650 8.739 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.092 9.791 -4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.685 7.667 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.455 8.175 -2.841 1.00 0.00 H new ATOM 1341 N LEU A 87 9.029 5.659 -6.643 1.00 0.00 N ATOM 1342 CA LEU A 87 9.282 4.991 -7.909 1.00 0.00 C ATOM 1343 C LEU A 87 8.727 3.569 -7.872 1.00 0.00 C ATOM 1344 O LEU A 87 8.325 3.025 -8.899 1.00 0.00 O ATOM 1345 CB LEU A 87 10.785 4.983 -8.230 1.00 0.00 C ATOM 1346 CG LEU A 87 11.355 6.270 -8.850 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.783 6.494 -10.242 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.080 7.481 -7.971 1.00 0.00 C ATOM 0 H LEU A 87 9.839 5.715 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 87 8.774 5.541 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.331 4.776 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.985 4.157 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 87 12.435 6.146 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.199 7.409 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.041 5.650 -10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.698 6.583 -10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.497 8.373 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.004 7.605 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.542 7.334 -6.995 1.00 0.00 H new ATOM 1360 N LEU A 88 8.684 2.978 -6.676 1.00 0.00 N ATOM 1361 CA LEU A 88 8.097 1.650 -6.507 1.00 0.00 C ATOM 1362 C LEU A 88 6.591 1.700 -6.727 1.00 0.00 C ATOM 1363 O LEU A 88 6.022 0.837 -7.400 1.00 0.00 O ATOM 1364 CB LEU A 88 8.379 1.064 -5.113 1.00 0.00 C ATOM 1365 CG LEU A 88 9.791 0.516 -4.881 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.755 1.629 -4.520 1.00 0.00 C ATOM 1367 CD2 LEU A 88 9.773 -0.547 -3.791 1.00 0.00 C ATOM 0 H LEU A 88 9.046 3.395 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 88 8.563 1.004 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.186 1.839 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.665 0.261 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 88 10.135 0.061 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.749 1.212 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.792 2.356 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.418 2.121 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.783 -0.927 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.404 -0.110 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.119 -1.366 -4.092 1.00 0.00 H new ATOM 1379 N VAL A 89 5.946 2.716 -6.163 1.00 0.00 N ATOM 1380 CA VAL A 89 4.497 2.841 -6.258 1.00 0.00 C ATOM 1381 C VAL A 89 4.069 3.278 -7.657 1.00 0.00 C ATOM 1382 O VAL A 89 3.031 2.837 -8.151 1.00 0.00 O ATOM 1383 CB VAL A 89 3.919 3.810 -5.195 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.199 3.290 -3.795 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.474 5.217 -5.356 1.00 0.00 C ATOM 0 H VAL A 89 6.402 3.462 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 89 4.088 1.850 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 89 2.841 3.859 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.787 3.982 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.736 2.311 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.276 3.203 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.045 5.867 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.558 5.195 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.217 5.599 -6.344 1.00 0.00 H new ATOM 1395 N TYR A 90 4.884 4.122 -8.298 1.00 0.00 N ATOM 1396 CA TYR A 90 4.609 4.581 -9.661 1.00 0.00 C ATOM 1397 C TYR A 90 4.574 3.398 -10.622 1.00 0.00 C ATOM 1398 O TYR A 90 3.794 3.375 -11.575 1.00 0.00 O ATOM 1399 CB TYR A 90 5.676 5.581 -10.123 1.00 0.00 C ATOM 1400 CG TYR A 90 5.330 6.290 -11.418 1.00 0.00 C ATOM 1401 CD1 TYR A 90 4.545 7.434 -11.414 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.786 5.815 -12.642 1.00 0.00 C ATOM 1403 CE1 TYR A 90 4.223 8.086 -12.588 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.468 6.462 -13.823 1.00 0.00 C ATOM 1405 CZ TYR A 90 4.685 7.597 -13.789 1.00 0.00 C ATOM 1406 OH TYR A 90 4.369 8.252 -14.958 1.00 0.00 O ATOM 0 H TYR A 90 5.740 4.501 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 90 3.637 5.075 -9.660 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.826 6.325 -9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.623 5.056 -10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.179 7.822 -10.475 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.399 4.926 -12.672 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.611 8.976 -12.564 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.831 6.081 -14.766 1.00 0.00 H new ATOM 0 HH TYR A 90 3.427 8.093 -15.178 1.00 0.00 H new ATOM 1416 N LEU A 91 5.432 2.418 -10.360 1.00 0.00 N ATOM 1417 CA LEU A 91 5.518 1.223 -11.185 1.00 0.00 C ATOM 1418 C LEU A 91 4.198 0.458 -11.149 1.00 0.00 C ATOM 1419 O LEU A 91 3.759 -0.088 -12.163 1.00 0.00 O ATOM 1420 CB LEU A 91 6.683 0.341 -10.704 1.00 0.00 C ATOM 1421 CG LEU A 91 7.019 -0.877 -11.576 1.00 0.00 C ATOM 1422 CD1 LEU A 91 8.487 -1.241 -11.426 1.00 0.00 C ATOM 1423 CD2 LEU A 91 6.154 -2.073 -11.202 1.00 0.00 C ATOM 0 H LEU A 91 6.083 2.431 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 91 5.709 1.513 -12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.575 0.963 -10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.453 -0.011 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 91 6.815 -0.614 -12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.713 -2.106 -12.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.104 -0.398 -11.737 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.698 -1.480 -10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.413 -2.922 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.326 -2.334 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.103 -1.821 -11.345 1.00 0.00 H new ATOM 1435 N ARG A 92 3.559 0.443 -9.986 1.00 0.00 N ATOM 1436 CA ARG A 92 2.297 -0.265 -9.821 1.00 0.00 C ATOM 1437 C ARG A 92 1.166 0.507 -10.490 1.00 0.00 C ATOM 1438 O ARG A 92 0.421 -0.050 -11.299 1.00 0.00 O ATOM 1439 CB ARG A 92 1.996 -0.498 -8.338 1.00 0.00 C ATOM 1440 CG ARG A 92 3.081 -1.295 -7.631 1.00 0.00 C ATOM 1441 CD ARG A 92 2.673 -1.695 -6.223 1.00 0.00 C ATOM 1442 NE ARG A 92 3.763 -2.378 -5.528 1.00 0.00 N ATOM 1443 CZ ARG A 92 3.598 -3.263 -4.545 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.381 -3.617 -4.150 1.00 0.00 N ATOM 1445 NH2 ARG A 92 4.664 -3.811 -3.974 1.00 0.00 N ATOM 0 H ARG A 92 3.894 0.912 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 92 2.381 -1.239 -10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.878 0.465 -7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.046 -1.024 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.308 -2.190 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.995 -0.703 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.380 -0.808 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.801 -2.348 -6.266 1.00 0.00 H new ATOM 0 HE ARG A 92 4.717 -2.162 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.561 -3.211 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.266 -4.295 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.600 -3.554 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.547 -4.489 -3.221 1.00 0.00 H new ATOM 1459 N ARG A 93 1.049 1.789 -10.165 1.00 0.00 N ATOM 1460 CA ARG A 93 0.076 2.654 -10.814 1.00 0.00 C ATOM 1461 C ARG A 93 0.475 4.109 -10.615 1.00 0.00 C ATOM 1462 O ARG A 93 1.301 4.418 -9.758 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.337 2.405 -10.273 1.00 0.00 C ATOM 1464 CG ARG A 93 -1.601 3.014 -8.907 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.016 2.721 -8.444 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.439 3.616 -7.372 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.466 3.376 -6.560 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -5.128 2.228 -6.633 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -4.822 4.291 -5.669 1.00 0.00 N ATOM 0 H ARG A 93 1.617 2.251 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 93 0.065 2.426 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.061 2.806 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.508 1.330 -10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.889 2.617 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.444 4.092 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.700 2.817 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.078 1.689 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.915 4.480 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.851 1.522 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.914 2.052 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.310 5.171 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.608 4.115 -5.043 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.106 4.999 -11.396 1.00 0.00 N ATOM 1484 CA GLN A 94 0.255 6.404 -11.326 1.00 0.00 C ATOM 1485 C GLN A 94 -0.939 7.257 -10.909 1.00 0.00 C ATOM 1486 O GLN A 94 -2.033 7.137 -11.464 1.00 0.00 O ATOM 1487 CB GLN A 94 0.828 6.870 -12.669 1.00 0.00 C ATOM 1488 CG GLN A 94 -0.101 6.648 -13.851 1.00 0.00 C ATOM 1489 CD GLN A 94 0.593 6.827 -15.188 1.00 0.00 C ATOM 1490 OE1 GLN A 94 1.554 7.585 -15.313 1.00 0.00 O ATOM 1491 NE2 GLN A 94 0.107 6.128 -16.200 1.00 0.00 N ATOM 0 H GLN A 94 -0.826 4.777 -12.083 1.00 0.00 H new ATOM 0 HA GLN A 94 1.025 6.526 -10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.065 7.932 -12.602 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.765 6.345 -12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.518 5.642 -13.795 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.937 7.344 -13.785 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.692 5.510 -16.056 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.531 6.207 -17.124 1.00 0.00 H new ATOM 1500 N ASP A 95 -0.723 8.099 -9.904 1.00 0.00 N ATOM 1501 CA ASP A 95 -1.754 9.021 -9.426 1.00 0.00 C ATOM 1502 C ASP A 95 -2.125 10.006 -10.522 1.00 0.00 C ATOM 1503 O ASP A 95 -3.302 10.257 -10.787 1.00 0.00 O ATOM 1504 CB ASP A 95 -1.259 9.781 -8.192 1.00 0.00 C ATOM 1505 CG ASP A 95 -2.223 10.862 -7.745 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -3.248 10.529 -7.112 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -1.958 12.051 -8.018 1.00 0.00 O ATOM 0 H ASP A 95 0.162 8.164 -9.400 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.636 8.442 -9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.105 9.077 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.291 10.231 -8.412 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.107 10.557 -11.157 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.298 11.437 -12.290 1.00 0.00 C ATOM 1514 C LEU A 96 -0.876 10.712 -13.563 1.00 0.00 C ATOM 1515 O LEU A 96 0.309 10.473 -13.782 1.00 0.00 O ATOM 1516 CB LEU A 96 -0.491 12.727 -12.107 1.00 0.00 C ATOM 1517 CG LEU A 96 -0.659 13.774 -13.212 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -2.118 14.187 -13.346 1.00 0.00 C ATOM 1519 CD2 LEU A 96 0.215 14.986 -12.925 1.00 0.00 C ATOM 0 H LEU A 96 -0.131 10.407 -10.902 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.351 11.709 -12.366 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.773 13.179 -11.156 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.565 12.467 -12.035 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.344 13.332 -14.157 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.214 14.931 -14.136 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.722 13.314 -13.594 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.464 14.612 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.087 15.723 -13.718 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.075 15.426 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.260 14.679 -12.881 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.852 10.329 -14.402 1.00 0.00 N ATOM 1532 CA PRO A 97 -1.601 9.573 -15.639 1.00 0.00 C ATOM 1533 C PRO A 97 -0.774 10.351 -16.650 1.00 0.00 C ATOM 1534 O PRO A 97 -0.280 9.794 -17.632 1.00 0.00 O ATOM 1535 CB PRO A 97 -3.000 9.326 -16.205 1.00 0.00 C ATOM 1536 CG PRO A 97 -3.928 9.533 -15.058 1.00 0.00 C ATOM 1537 CD PRO A 97 -3.287 10.585 -14.205 1.00 0.00 C ATOM 0 HA PRO A 97 -1.032 8.666 -15.435 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.222 10.015 -17.020 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.090 8.317 -16.607 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.911 9.853 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.072 8.609 -14.498 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.567 11.590 -14.522 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.576 10.489 -13.158 1.00 0.00 H new ATOM 1545 N GLU A 98 -0.640 11.643 -16.419 1.00 0.00 N ATOM 1546 CA GLU A 98 0.100 12.495 -17.318 1.00 0.00 C ATOM 1547 C GLU A 98 0.941 13.487 -16.531 1.00 0.00 C ATOM 1548 O GLU A 98 0.486 14.583 -16.201 1.00 0.00 O ATOM 1549 CB GLU A 98 -0.858 13.225 -18.259 1.00 0.00 C ATOM 1550 CG GLU A 98 -0.154 13.963 -19.378 1.00 0.00 C ATOM 1551 CD GLU A 98 0.803 13.067 -20.132 1.00 0.00 C ATOM 1552 OE1 GLU A 98 1.959 12.918 -19.685 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.394 12.485 -21.158 1.00 0.00 O ATOM 0 H GLU A 98 -1.037 12.123 -15.612 1.00 0.00 H new ATOM 0 HA GLU A 98 0.770 11.879 -17.918 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.553 12.504 -18.690 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.452 13.935 -17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.895 14.366 -20.069 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.392 14.812 -18.966 1.00 0.00 H new ATOM 1560 N ILE A 99 2.158 13.084 -16.202 1.00 0.00 N ATOM 1561 CA ILE A 99 3.071 13.947 -15.473 1.00 0.00 C ATOM 1562 C ILE A 99 3.947 14.732 -16.439 1.00 0.00 C ATOM 1563 O ILE A 99 4.829 14.174 -17.097 1.00 0.00 O ATOM 1564 CB ILE A 99 3.966 13.155 -14.497 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.105 12.370 -13.501 1.00 0.00 C ATOM 1566 CG2 ILE A 99 4.908 14.099 -13.759 1.00 0.00 C ATOM 1567 CD1 ILE A 99 3.909 11.558 -12.508 1.00 0.00 C ATOM 0 H ILE A 99 2.536 12.164 -16.429 1.00 0.00 H new ATOM 0 HA ILE A 99 2.459 14.634 -14.888 1.00 0.00 H new ATOM 0 HB ILE A 99 4.564 12.446 -15.070 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.469 13.067 -12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.445 11.701 -14.053 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.533 13.527 -13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.540 14.619 -14.479 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.325 14.828 -13.196 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.232 11.030 -11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.525 10.835 -13.043 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.550 12.223 -11.929 1.00 0.00 H new ATOM 1579 N THR A 100 3.671 16.019 -16.547 1.00 0.00 N ATOM 1580 CA THR A 100 4.459 16.908 -17.378 1.00 0.00 C ATOM 1581 C THR A 100 4.776 18.181 -16.596 1.00 0.00 C ATOM 1582 O THR A 100 3.866 18.887 -16.157 1.00 0.00 O ATOM 1583 CB THR A 100 3.697 17.260 -18.670 1.00 0.00 C ATOM 1584 OG1 THR A 100 3.004 16.100 -19.154 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.650 17.752 -19.744 1.00 0.00 C ATOM 0 H THR A 100 2.898 16.475 -16.063 1.00 0.00 H new ATOM 0 HA THR A 100 5.387 16.407 -17.654 1.00 0.00 H new ATOM 0 HB THR A 100 2.985 18.053 -18.440 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.042 16.283 -19.185 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.088 17.994 -20.646 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.169 18.643 -19.390 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.379 16.973 -19.969 1.00 0.00 H new ATOM 1593 N ALA A 101 6.056 18.467 -16.411 1.00 0.00 N ATOM 1594 CA ALA A 101 6.463 19.582 -15.567 1.00 0.00 C ATOM 1595 C ALA A 101 7.470 20.476 -16.274 1.00 0.00 C ATOM 1596 O ALA A 101 8.159 20.043 -17.198 1.00 0.00 O ATOM 1597 CB ALA A 101 7.041 19.066 -14.257 1.00 0.00 C ATOM 0 H ALA A 101 6.827 17.947 -16.830 1.00 0.00 H new ATOM 0 HA ALA A 101 5.578 20.182 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.342 19.909 -13.635 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.287 18.479 -13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.909 18.440 -14.464 1.00 0.00 H new ATOM 1603 N GLN A 102 7.548 21.722 -15.835 1.00 0.00 N ATOM 1604 CA GLN A 102 8.470 22.684 -16.414 1.00 0.00 C ATOM 1605 C GLN A 102 9.361 23.268 -15.325 1.00 0.00 C ATOM 1606 O GLN A 102 8.954 23.360 -14.164 1.00 0.00 O ATOM 1607 CB GLN A 102 7.706 23.800 -17.129 1.00 0.00 C ATOM 1608 CG GLN A 102 6.890 24.685 -16.200 1.00 0.00 C ATOM 1609 CD GLN A 102 6.143 25.772 -16.946 1.00 0.00 C ATOM 1610 OE1 GLN A 102 6.571 26.213 -18.011 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.038 26.231 -16.381 1.00 0.00 N ATOM 0 H GLN A 102 6.979 22.092 -15.074 1.00 0.00 H new ATOM 0 HA GLN A 102 9.093 22.172 -17.147 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.417 24.421 -17.674 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.040 23.355 -17.868 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.178 24.070 -15.650 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.552 25.142 -15.464 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.716 25.838 -15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.508 26.978 -16.830 1.00 0.00 H new ATOM 1620 N ARG A 103 10.573 23.652 -15.692 1.00 0.00 N ATOM 1621 CA ARG A 103 11.517 24.192 -14.728 1.00 0.00 C ATOM 1622 C ARG A 103 11.170 25.638 -14.408 1.00 0.00 C ATOM 1623 O ARG A 103 10.569 26.338 -15.223 1.00 0.00 O ATOM 1624 CB ARG A 103 12.944 24.100 -15.268 1.00 0.00 C ATOM 1625 CG ARG A 103 13.380 22.681 -15.591 1.00 0.00 C ATOM 1626 CD ARG A 103 14.811 22.641 -16.096 1.00 0.00 C ATOM 1627 NE ARG A 103 14.987 23.423 -17.317 1.00 0.00 N ATOM 1628 CZ ARG A 103 16.169 23.782 -17.813 1.00 0.00 C ATOM 1629 NH1 ARG A 103 17.289 23.496 -17.162 1.00 0.00 N ATOM 1630 NH2 ARG A 103 16.225 24.458 -18.952 1.00 0.00 N ATOM 0 H ARG A 103 10.925 23.600 -16.648 1.00 0.00 H new ATOM 0 HA ARG A 103 11.454 23.603 -13.813 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.023 24.710 -16.168 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.630 24.524 -14.534 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.290 22.060 -14.700 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.715 22.257 -16.344 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.478 23.022 -15.323 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.099 21.607 -16.284 1.00 0.00 H new ATOM 0 HE ARG A 103 14.150 23.713 -17.822 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.249 22.997 -16.273 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.190 23.775 -17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.365 24.701 -19.444 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.128 24.736 -19.336 1.00 0.00 H new ATOM 1644 N GLN A 104 11.540 26.088 -13.223 1.00 0.00 N ATOM 1645 CA GLN A 104 11.248 27.449 -12.820 1.00 0.00 C ATOM 1646 C GLN A 104 12.395 28.378 -13.211 1.00 0.00 C ATOM 1647 O GLN A 104 13.420 28.460 -12.534 1.00 0.00 O ATOM 1648 CB GLN A 104 10.925 27.546 -11.312 1.00 0.00 C ATOM 1649 CG GLN A 104 12.042 27.116 -10.362 1.00 0.00 C ATOM 1650 CD GLN A 104 12.369 25.639 -10.435 1.00 0.00 C ATOM 1651 OE1 GLN A 104 13.220 25.220 -11.218 1.00 0.00 O ATOM 1652 NE2 GLN A 104 11.695 24.841 -9.627 1.00 0.00 N ATOM 0 H GLN A 104 12.040 25.534 -12.528 1.00 0.00 H new ATOM 0 HA GLN A 104 10.353 27.772 -13.352 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.657 28.577 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 104 10.046 26.935 -11.108 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.941 27.690 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.754 27.365 -9.341 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.997 25.229 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 104 11.872 23.837 -9.638 1.00 0.00 H new ATOM 1661 N LEU A 105 12.229 29.041 -14.345 1.00 0.00 N ATOM 1662 CA LEU A 105 13.184 30.041 -14.798 1.00 0.00 C ATOM 1663 C LEU A 105 12.828 31.378 -14.165 1.00 0.00 C ATOM 1664 O LEU A 105 13.666 32.269 -14.015 1.00 0.00 O ATOM 1665 CB LEU A 105 13.155 30.145 -16.327 1.00 0.00 C ATOM 1666 CG LEU A 105 14.172 31.105 -16.945 1.00 0.00 C ATOM 1667 CD1 LEU A 105 15.589 30.613 -16.703 1.00 0.00 C ATOM 1668 CD2 LEU A 105 13.909 31.269 -18.434 1.00 0.00 C ATOM 0 H LEU A 105 11.436 28.903 -14.972 1.00 0.00 H new ATOM 0 HA LEU A 105 14.192 29.754 -14.499 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.321 29.152 -16.744 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.156 30.456 -16.633 1.00 0.00 H new ATOM 0 HG LEU A 105 14.063 32.078 -16.466 1.00 0.00 H new ATOM 0 HD11 LEU A 105 16.298 31.310 -17.151 1.00 0.00 H new ATOM 0 HD12 LEU A 105 15.773 30.547 -15.631 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.714 29.629 -17.154 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.641 31.955 -18.859 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.991 30.300 -18.927 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.906 31.669 -18.584 1.00 0.00 H new ATOM 1680 N ARG A 106 11.564 31.490 -13.792 1.00 0.00 N ATOM 1681 CA ARG A 106 11.034 32.659 -13.118 1.00 0.00 C ATOM 1682 C ARG A 106 10.058 32.212 -12.039 1.00 0.00 C ATOM 1683 O ARG A 106 10.361 32.403 -10.845 1.00 0.00 O ATOM 1684 CB ARG A 106 10.333 33.582 -14.116 1.00 0.00 C ATOM 1685 CG ARG A 106 11.282 34.302 -15.059 1.00 0.00 C ATOM 1686 CD ARG A 106 10.533 34.999 -16.180 1.00 0.00 C ATOM 1687 NE ARG A 106 9.904 34.045 -17.092 1.00 0.00 N ATOM 1688 CZ ARG A 106 9.424 34.366 -18.292 1.00 0.00 C ATOM 1689 NH1 ARG A 106 9.465 35.619 -18.722 1.00 0.00 N ATOM 1690 NH2 ARG A 106 8.891 33.435 -19.066 1.00 0.00 N ATOM 1691 OXT ARG A 106 9.014 31.622 -12.393 1.00 0.00 O ATOM 0 H ARG A 106 10.869 30.760 -13.952 1.00 0.00 H new ATOM 0 HA ARG A 106 11.854 33.214 -12.662 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.627 32.996 -14.704 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.752 34.322 -13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.865 35.034 -14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.988 33.587 -15.482 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.771 35.652 -15.756 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.222 35.634 -16.737 1.00 0.00 H new ATOM 0 HE ARG A 106 9.828 33.074 -16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.867 36.348 -18.132 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.095 35.855 -19.643 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.847 32.468 -18.744 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.524 33.684 -19.985 1.00 0.00 H new TER 1705 ARG A 106