USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 831 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 44 SEP H2 : A 44 SEP N : A 43 ILE C :(H bumps) USER MOD NoAdj-H: A 44 SEP H : A 44 SEP N : A 43 ILE C :(H bumps) USER MOD NoAdj-H: A 46 SEP H2 : A 46 SEP N : A 45 ASP C :(H bumps) USER MOD NoAdj-H: A 46 SEP H : A 46 SEP N : A 45 ASP C :(H bumps) USER MOD Set 1.1: B 21 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0) USER MOD Set 1.2: B 31 GLN : amide:sc= 1.06 K(o=2.3,f=-7.1!) USER MOD Set 2.1: B 28 SER OG : rot -86:sc= 2.16 USER MOD Set 2.2: B 47 TYR OH : rot -22:sc= 1.35 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 114:sc= 0.76 USER MOD Single : B 14 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.27) USER MOD Single : B 15 ASN : amide:sc= -0.0454 K(o=-0.045,f=-4.3!) USER MOD Single : B 17 HIS : no HD1:sc= -0.0781 K(o=-0.078,f=-1.2) USER MOD Single : B 19 ASN : amide:sc= 0.265 X(o=0.27,f=0) USER MOD Single : B 25 GLN : amide:sc= 0.351 X(o=0.35,f=-0.017) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 138:sc= 0.481 (180deg=0.00245) USER MOD Single : B 37 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : B 38 THR OG1 : rot -140:sc= 0.343 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0465 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 CYS SG : rot -11:sc= -0.0494 USER MOD Single : B 51 GLN : amide:sc= -0.0448 K(o=-0.045,f=-0.86) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 GLN : amide:sc= 0.193 K(o=0.19,f=-3.4!) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 ASN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.00862 USER MOD Single : B 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 MET CE :methyl -154:sc= -0.13 (180deg=-0.629) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 88 GLN : amide:sc= -0.266 K(o=-0.27,f=-4!) USER MOD Single : B 89 GLN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD Single : B 90 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.49) USER MOD Single : B 91 THR OG1 : rot 180:sc=0.000837 USER MOD Single : B 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 36 12.411 17.150 -44.581 1.00 0.00 C HETATM 2 O ACE A 36 11.545 17.260 -43.747 1.00 0.00 O HETATM 3 CH3 ACE A 36 13.509 18.145 -44.533 1.00 0.00 C HETATM 0 H1 ACE A 36 14.458 17.632 -44.380 1.00 0.00 H new HETATM 0 H2 ACE A 36 13.542 18.696 -45.473 1.00 0.00 H new HETATM 0 H3 ACE A 36 13.335 18.839 -43.711 1.00 0.00 H new ATOM 7 N GLU A 37 12.423 16.198 -45.503 1.00 0.00 N ATOM 8 CA GLU A 37 11.441 15.126 -45.640 1.00 0.00 C ATOM 9 C GLU A 37 11.897 13.799 -45.133 1.00 0.00 C ATOM 10 O GLU A 37 11.092 13.119 -44.536 1.00 0.00 O ATOM 11 CB GLU A 37 10.867 15.155 -47.083 1.00 0.00 C ATOM 12 CG GLU A 37 9.656 14.198 -47.294 1.00 0.00 C ATOM 13 CD GLU A 37 8.355 14.787 -46.885 1.00 0.00 C ATOM 14 OE1 GLU A 37 7.711 15.491 -47.721 1.00 0.00 O ATOM 15 OE2 GLU A 37 7.870 14.598 -45.755 1.00 0.00 O ATOM 0 H GLU A 37 13.154 16.148 -46.213 1.00 0.00 H new ATOM 0 HA GLU A 37 10.608 15.313 -44.962 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.560 16.173 -47.322 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.657 14.887 -47.784 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.604 13.918 -48.346 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.825 13.282 -46.728 1.00 0.00 H new ATOM 22 N ASP A 38 13.121 13.489 -45.460 1.00 0.00 N ATOM 23 CA ASP A 38 13.743 12.209 -45.183 1.00 0.00 C ATOM 24 C ASP A 38 14.304 12.087 -43.733 1.00 0.00 C ATOM 25 O ASP A 38 15.310 11.369 -43.422 1.00 0.00 O ATOM 26 CB ASP A 38 14.771 11.836 -46.294 1.00 0.00 C ATOM 27 CG ASP A 38 15.290 10.435 -46.237 1.00 0.00 C ATOM 28 OD1 ASP A 38 14.433 9.533 -46.013 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.484 10.095 -46.485 1.00 0.00 O ATOM 0 H ASP A 38 13.741 14.139 -45.944 1.00 0.00 H new ATOM 0 HA ASP A 38 12.956 11.455 -45.218 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.304 11.994 -47.266 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.616 12.522 -46.230 1.00 0.00 H new ATOM 34 N ALA A 39 13.602 12.703 -42.810 1.00 0.00 N ATOM 35 CA ALA A 39 14.150 12.853 -41.431 1.00 0.00 C ATOM 36 C ALA A 39 14.021 11.600 -40.560 1.00 0.00 C ATOM 37 O ALA A 39 13.755 11.727 -39.369 1.00 0.00 O ATOM 38 CB ALA A 39 13.433 14.093 -40.841 1.00 0.00 C ATOM 0 H ALA A 39 12.676 13.106 -42.955 1.00 0.00 H new ATOM 0 HA ALA A 39 15.231 12.993 -41.461 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.785 14.267 -39.824 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.651 14.966 -41.456 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.357 13.919 -40.827 1.00 0.00 H new ATOM 44 N PHE A 40 14.268 10.433 -41.087 1.00 0.00 N ATOM 45 CA PHE A 40 14.024 9.135 -40.427 1.00 0.00 C ATOM 46 C PHE A 40 15.200 8.175 -40.688 1.00 0.00 C ATOM 47 O PHE A 40 15.516 8.007 -41.889 1.00 0.00 O ATOM 48 CB PHE A 40 12.645 8.573 -40.889 1.00 0.00 C ATOM 49 CG PHE A 40 12.034 7.820 -39.791 1.00 0.00 C ATOM 50 CD1 PHE A 40 11.169 8.493 -38.850 1.00 0.00 C ATOM 51 CD2 PHE A 40 12.159 6.458 -39.692 1.00 0.00 C ATOM 52 CE1 PHE A 40 10.517 7.754 -37.888 1.00 0.00 C ATOM 53 CE2 PHE A 40 11.494 5.709 -38.704 1.00 0.00 C ATOM 54 CZ PHE A 40 10.607 6.401 -37.866 1.00 0.00 C ATOM 0 H PHE A 40 14.660 10.332 -42.023 1.00 0.00 H new ATOM 0 HA PHE A 40 13.972 9.259 -39.345 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.990 9.390 -41.193 1.00 0.00 H new ATOM 0 HB3 PHE A 40 12.775 7.929 -41.758 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.035 9.563 -38.900 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.791 5.941 -40.399 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.925 8.260 -37.140 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.659 4.647 -38.595 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.980 5.842 -37.187 1.00 0.00 H new ATOM 64 N ILE A 41 15.810 7.528 -39.669 1.00 0.00 N ATOM 65 CA ILE A 41 16.773 6.443 -39.759 1.00 0.00 C ATOM 66 C ILE A 41 16.459 5.372 -38.678 1.00 0.00 C ATOM 67 O ILE A 41 15.958 5.714 -37.586 1.00 0.00 O ATOM 68 CB ILE A 41 18.180 7.046 -39.640 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.480 8.223 -40.592 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.247 6.012 -39.953 1.00 0.00 C ATOM 71 CD1 ILE A 41 19.610 9.219 -40.296 1.00 0.00 C ATOM 0 H ILE A 41 15.618 7.780 -38.699 1.00 0.00 H new ATOM 0 HA ILE A 41 16.714 5.927 -40.717 1.00 0.00 H new ATOM 0 HB ILE A 41 18.202 7.402 -38.610 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.683 7.794 -41.573 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.561 8.802 -40.681 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.233 6.467 -39.861 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.164 5.181 -39.253 1.00 0.00 H new ATOM 0 HG23 ILE A 41 19.111 5.645 -40.970 1.00 0.00 H new ATOM 0 HD11 ILE A 41 19.652 9.967 -41.088 1.00 0.00 H new ATOM 0 HD12 ILE A 41 19.421 9.711 -39.342 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.560 8.687 -40.248 1.00 0.00 H new ATOM 83 N VAL A 42 16.695 4.116 -39.007 1.00 0.00 N ATOM 84 CA VAL A 42 16.183 2.914 -38.310 1.00 0.00 C ATOM 85 C VAL A 42 17.339 1.980 -38.221 1.00 0.00 C ATOM 86 O VAL A 42 17.772 1.479 -39.283 1.00 0.00 O ATOM 87 CB VAL A 42 15.015 2.267 -39.127 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.109 1.304 -38.408 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.064 3.342 -39.564 1.00 0.00 C ATOM 0 H VAL A 42 17.279 3.876 -39.808 1.00 0.00 H new ATOM 0 HA VAL A 42 15.786 3.156 -37.324 1.00 0.00 H new ATOM 0 HB VAL A 42 15.554 1.728 -39.906 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.349 0.936 -39.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.695 0.465 -38.032 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.627 1.812 -37.573 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.248 2.897 -40.134 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.660 3.849 -38.688 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.592 4.063 -40.189 1.00 0.00 H new ATOM 99 N ILE A 43 17.981 1.819 -37.042 1.00 0.00 N ATOM 100 CA ILE A 43 19.269 1.148 -36.879 1.00 0.00 C ATOM 101 C ILE A 43 19.130 0.052 -35.786 1.00 0.00 C ATOM 102 O ILE A 43 18.470 0.377 -34.787 1.00 0.00 O ATOM 103 CB ILE A 43 20.345 2.219 -36.675 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.362 3.473 -37.572 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.733 1.498 -36.633 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.361 4.536 -37.162 1.00 0.00 C ATOM 0 H ILE A 43 17.599 2.165 -36.162 1.00 0.00 H new ATOM 0 HA ILE A 43 19.595 0.597 -37.761 1.00 0.00 H new ATOM 0 HB ILE A 43 20.077 2.694 -35.732 1.00 0.00 H new ATOM 0 HG12 ILE A 43 20.578 3.167 -38.596 1.00 0.00 H new ATOM 0 HG13 ILE A 43 19.365 3.914 -37.575 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.522 2.236 -36.488 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.748 0.785 -35.809 1.00 0.00 H new ATOM 0 HG23 ILE A 43 21.897 0.970 -37.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 21.300 5.378 -37.851 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.136 4.877 -36.151 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.368 4.119 -37.188 1.00 0.00 H new HETATM 118 N SEP A 44 19.998 -1.011 -35.755 1.00 0.00 N HETATM 119 CA SEP A 44 20.319 -1.782 -34.540 1.00 0.00 C HETATM 120 CB SEP A 44 19.212 -2.815 -34.161 1.00 0.00 C HETATM 121 OG SEP A 44 19.182 -3.906 -35.111 1.00 0.00 O HETATM 122 C SEP A 44 21.733 -2.353 -34.568 1.00 0.00 C HETATM 123 O SEP A 44 22.507 -2.087 -35.473 1.00 0.00 O HETATM 124 P SEP A 44 18.248 -5.144 -34.916 1.00 0.00 P HETATM 125 O1P SEP A 44 18.723 -6.065 -35.987 1.00 0.00 O HETATM 126 O2P SEP A 44 18.537 -5.636 -33.553 1.00 0.00 O HETATM 127 O3P SEP A 44 16.872 -4.744 -35.115 1.00 0.00 O HETATM 0 HB3 SEP A 44 19.398 -3.203 -33.160 1.00 0.00 H new HETATM 0 HB2 SEP A 44 18.240 -2.321 -34.136 1.00 0.00 H new HETATM 0 HA SEP A 44 20.319 -1.073 -33.712 1.00 0.00 H new ATOM 132 N ASP A 45 22.096 -3.150 -33.579 1.00 0.00 N ATOM 133 CA ASP A 45 23.520 -3.511 -33.270 1.00 0.00 C ATOM 134 C ASP A 45 23.907 -4.986 -33.785 1.00 0.00 C ATOM 135 O ASP A 45 25.112 -5.178 -33.997 1.00 0.00 O ATOM 136 CB ASP A 45 23.843 -3.326 -31.821 1.00 0.00 C ATOM 137 CG ASP A 45 25.290 -3.053 -31.295 1.00 0.00 C ATOM 138 OD1 ASP A 45 26.183 -2.679 -32.143 1.00 0.00 O ATOM 139 OD2 ASP A 45 25.499 -3.125 -30.061 1.00 0.00 O ATOM 0 H ASP A 45 21.424 -3.583 -32.946 1.00 0.00 H new ATOM 0 HA ASP A 45 24.142 -2.813 -33.830 1.00 0.00 H new ATOM 0 HB2 ASP A 45 23.226 -2.498 -31.471 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.493 -4.223 -31.310 1.00 0.00 H new HETATM 144 N SEP A 46 23.007 -5.938 -33.890 1.00 0.00 N HETATM 145 CA SEP A 46 23.357 -7.345 -34.001 1.00 0.00 C HETATM 146 CB SEP A 46 22.810 -8.211 -32.836 1.00 0.00 C HETATM 147 OG SEP A 46 21.439 -8.389 -32.767 1.00 0.00 O HETATM 148 C SEP A 46 22.895 -7.927 -35.281 1.00 0.00 C HETATM 149 O SEP A 46 21.911 -7.470 -35.921 1.00 0.00 O HETATM 150 P SEP A 46 20.728 -9.013 -31.611 1.00 0.00 P HETATM 151 O1P SEP A 46 19.376 -9.146 -32.179 1.00 0.00 O HETATM 152 O2P SEP A 46 21.397 -10.310 -31.505 1.00 0.00 O HETATM 153 O3P SEP A 46 20.887 -8.059 -30.531 1.00 0.00 O HETATM 0 HB3 SEP A 46 23.275 -9.195 -32.900 1.00 0.00 H new HETATM 0 HB2 SEP A 46 23.140 -7.763 -31.899 1.00 0.00 H new HETATM 0 HA SEP A 46 24.446 -7.364 -33.956 1.00 0.00 H new ATOM 158 N ASP A 47 23.677 -8.939 -35.763 1.00 0.00 N ATOM 159 CA ASP A 47 23.410 -9.671 -36.951 1.00 0.00 C ATOM 160 C ASP A 47 24.059 -11.034 -36.774 1.00 0.00 C ATOM 161 O ASP A 47 25.244 -11.187 -36.357 1.00 0.00 O ATOM 162 CB ASP A 47 24.006 -9.053 -38.149 1.00 0.00 C ATOM 163 CG ASP A 47 23.448 -9.522 -39.482 1.00 0.00 C ATOM 164 OD1 ASP A 47 22.210 -9.539 -39.654 1.00 0.00 O ATOM 165 OD2 ASP A 47 24.197 -10.034 -40.341 1.00 0.00 O ATOM 0 H ASP A 47 24.527 -9.245 -35.290 1.00 0.00 H new ATOM 0 HA ASP A 47 22.331 -9.711 -37.099 1.00 0.00 H new ATOM 0 HB2 ASP A 47 23.874 -7.973 -38.081 1.00 0.00 H new ATOM 0 HB3 ASP A 47 25.079 -9.245 -38.138 1.00 0.00 H new ATOM 170 N GLY A 48 23.342 -12.152 -37.152 1.00 0.00 N ATOM 171 CA GLY A 48 23.813 -13.522 -36.892 1.00 0.00 C ATOM 172 C GLY A 48 24.281 -14.323 -38.157 1.00 0.00 C ATOM 173 O GLY A 48 23.960 -13.957 -39.234 1.00 0.00 O ATOM 0 H GLY A 48 22.444 -12.107 -37.633 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.641 -13.475 -36.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.011 -14.078 -36.407 1.00 0.00 H new ATOM 177 N GLU A 49 25.113 -15.416 -37.972 1.00 0.00 N ATOM 178 CA GLU A 49 25.694 -16.279 -39.008 1.00 0.00 C ATOM 179 C GLU A 49 25.154 -17.710 -38.924 1.00 0.00 C ATOM 180 O GLU A 49 25.076 -18.317 -37.866 1.00 0.00 O ATOM 181 CB GLU A 49 27.224 -16.235 -38.959 1.00 0.00 C ATOM 182 CG GLU A 49 28.034 -17.096 -39.944 1.00 0.00 C ATOM 183 CD GLU A 49 27.943 -16.753 -41.470 1.00 0.00 C ATOM 184 OE1 GLU A 49 27.541 -15.599 -41.723 1.00 0.00 O ATOM 185 OE2 GLU A 49 28.293 -17.558 -42.380 1.00 0.00 O ATOM 0 H GLU A 49 25.394 -15.710 -37.036 1.00 0.00 H new ATOM 0 HA GLU A 49 25.387 -15.890 -39.979 1.00 0.00 H new ATOM 0 HB2 GLU A 49 27.527 -15.198 -39.105 1.00 0.00 H new ATOM 0 HB3 GLU A 49 27.528 -16.517 -37.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 29.083 -17.040 -39.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 27.722 -18.132 -39.816 1.00 0.00 H new HETATM 192 N NH2 A 50 24.704 -18.260 -40.014 1.00 0.00 N TER 195 NH2 A 50 ATOM 196 N MET B 1 -5.365 -36.521 -39.451 1.00 0.00 N ATOM 197 CA MET B 1 -4.463 -36.047 -38.326 1.00 0.00 C ATOM 198 C MET B 1 -3.901 -34.692 -38.694 1.00 0.00 C ATOM 199 O MET B 1 -2.808 -34.531 -39.250 1.00 0.00 O ATOM 200 CB MET B 1 -3.475 -37.140 -37.908 1.00 0.00 C ATOM 201 CG MET B 1 -4.179 -38.188 -37.072 1.00 0.00 C ATOM 202 SD MET B 1 -3.040 -39.069 -35.977 1.00 0.00 S ATOM 203 CE MET B 1 -4.250 -39.631 -34.751 1.00 0.00 C ATOM 0 H1 MET B 1 -5.759 -37.453 -39.211 1.00 0.00 H new ATOM 0 H2 MET B 1 -6.141 -35.841 -39.584 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.814 -36.594 -40.330 1.00 0.00 H new ATOM 0 HA MET B 1 -5.013 -35.878 -37.400 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.038 -37.603 -38.793 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.655 -36.701 -37.340 1.00 0.00 H new ATOM 0 HG2 MET B 1 -4.958 -37.712 -36.476 1.00 0.00 H new ATOM 0 HG3 MET B 1 -4.673 -38.903 -37.730 1.00 0.00 H new ATOM 0 HE1 MET B 1 -3.742 -40.204 -33.975 1.00 0.00 H new ATOM 0 HE2 MET B 1 -4.741 -38.768 -34.302 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.996 -40.260 -35.237 1.00 0.00 H new ATOM 215 N ALA B 2 -4.634 -33.651 -38.471 1.00 0.00 N ATOM 216 CA ALA B 2 -4.368 -32.315 -39.062 1.00 0.00 C ATOM 217 C ALA B 2 -3.218 -31.576 -38.368 1.00 0.00 C ATOM 218 O ALA B 2 -2.912 -31.837 -37.176 1.00 0.00 O ATOM 219 CB ALA B 2 -5.628 -31.446 -38.786 1.00 0.00 C ATOM 0 H ALA B 2 -5.456 -33.671 -37.867 1.00 0.00 H new ATOM 0 HA ALA B 2 -4.123 -32.459 -40.114 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -5.481 -30.450 -39.203 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -6.498 -31.909 -39.251 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -5.789 -31.369 -37.711 1.00 0.00 H new ATOM 225 N ASP B 3 -2.468 -30.776 -39.134 1.00 0.00 N ATOM 226 CA ASP B 3 -1.189 -30.130 -38.756 1.00 0.00 C ATOM 227 C ASP B 3 -1.293 -29.151 -37.643 1.00 0.00 C ATOM 228 O ASP B 3 -2.015 -28.156 -37.802 1.00 0.00 O ATOM 229 CB ASP B 3 -0.615 -29.417 -39.961 1.00 0.00 C ATOM 230 CG ASP B 3 0.897 -28.950 -39.774 1.00 0.00 C ATOM 231 OD1 ASP B 3 1.641 -29.178 -38.801 1.00 0.00 O ATOM 232 OD2 ASP B 3 1.339 -28.342 -40.756 1.00 0.00 O ATOM 0 H ASP B 3 -2.745 -30.544 -40.088 1.00 0.00 H new ATOM 0 HA ASP B 3 -0.546 -30.937 -38.405 1.00 0.00 H new ATOM 0 HB2 ASP B 3 -0.677 -30.078 -40.826 1.00 0.00 H new ATOM 0 HB3 ASP B 3 -1.230 -28.545 -40.182 1.00 0.00 H new ATOM 237 N GLU B 4 -0.683 -29.450 -36.508 1.00 0.00 N ATOM 238 CA GLU B 4 -0.881 -28.694 -35.252 1.00 0.00 C ATOM 239 C GLU B 4 0.144 -29.019 -34.112 1.00 0.00 C ATOM 240 O GLU B 4 0.587 -30.124 -33.986 1.00 0.00 O ATOM 241 CB GLU B 4 -2.307 -28.969 -34.629 1.00 0.00 C ATOM 242 CG GLU B 4 -2.750 -28.193 -33.376 1.00 0.00 C ATOM 243 CD GLU B 4 -2.511 -26.648 -33.323 1.00 0.00 C ATOM 244 OE1 GLU B 4 -1.530 -26.191 -34.007 1.00 0.00 O ATOM 245 OE2 GLU B 4 -3.215 -25.966 -32.573 1.00 0.00 O ATOM 0 H GLU B 4 -0.029 -30.227 -36.417 1.00 0.00 H new ATOM 0 HA GLU B 4 -0.748 -27.659 -35.568 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -3.046 -28.780 -35.408 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -2.360 -30.031 -34.391 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -3.818 -28.367 -33.240 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -2.244 -28.635 -32.518 1.00 0.00 H new ATOM 252 N LYS B 5 0.609 -28.086 -33.287 1.00 0.00 N ATOM 253 CA LYS B 5 1.668 -28.177 -32.197 1.00 0.00 C ATOM 254 C LYS B 5 1.540 -27.027 -31.195 1.00 0.00 C ATOM 255 O LYS B 5 1.287 -25.901 -31.637 1.00 0.00 O ATOM 256 CB LYS B 5 3.101 -28.192 -32.893 1.00 0.00 C ATOM 257 CG LYS B 5 4.112 -28.723 -31.941 1.00 0.00 C ATOM 258 CD LYS B 5 5.413 -29.098 -32.655 1.00 0.00 C ATOM 259 CE LYS B 5 6.507 -29.959 -31.904 1.00 0.00 C ATOM 260 NZ LYS B 5 7.007 -29.498 -30.577 1.00 0.00 N ATOM 0 H LYS B 5 0.238 -27.137 -33.342 1.00 0.00 H new ATOM 0 HA LYS B 5 1.530 -29.095 -31.626 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.074 -28.808 -33.792 1.00 0.00 H new ATOM 0 HB3 LYS B 5 3.375 -27.185 -33.206 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.319 -27.976 -31.174 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.709 -29.599 -31.432 1.00 0.00 H new ATOM 0 HD2 LYS B 5 5.141 -29.639 -33.562 1.00 0.00 H new ATOM 0 HD3 LYS B 5 5.890 -28.169 -32.968 1.00 0.00 H new ATOM 0 HE2 LYS B 5 6.102 -30.962 -31.772 1.00 0.00 H new ATOM 0 HE3 LYS B 5 7.368 -30.047 -32.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.716 -30.170 -30.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 7.440 -28.558 -30.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.214 -29.444 -29.907 1.00 0.00 H new ATOM 274 N PRO B 6 1.819 -27.164 -29.888 1.00 0.00 N ATOM 275 CA PRO B 6 1.770 -25.986 -29.092 1.00 0.00 C ATOM 276 C PRO B 6 2.710 -24.847 -29.429 1.00 0.00 C ATOM 277 O PRO B 6 3.536 -25.081 -30.326 1.00 0.00 O ATOM 278 CB PRO B 6 2.147 -26.492 -27.717 1.00 0.00 C ATOM 279 CG PRO B 6 1.575 -27.944 -27.656 1.00 0.00 C ATOM 280 CD PRO B 6 2.020 -28.324 -29.088 1.00 0.00 C ATOM 0 HA PRO B 6 0.786 -25.539 -29.230 1.00 0.00 H new ATOM 0 HB2 PRO B 6 3.228 -26.486 -27.576 1.00 0.00 H new ATOM 0 HB3 PRO B 6 1.720 -25.865 -26.934 1.00 0.00 H new ATOM 0 HG2 PRO B 6 2.027 -28.560 -26.879 1.00 0.00 H new ATOM 0 HG3 PRO B 6 0.496 -27.984 -27.508 1.00 0.00 H new ATOM 0 HD2 PRO B 6 3.066 -28.630 -29.102 1.00 0.00 H new ATOM 0 HD3 PRO B 6 1.437 -29.164 -29.467 1.00 0.00 H new ATOM 288 N LYS B 7 2.490 -23.677 -28.818 1.00 0.00 N ATOM 289 CA LYS B 7 3.238 -22.460 -29.201 1.00 0.00 C ATOM 290 C LYS B 7 3.753 -21.880 -27.775 1.00 0.00 C ATOM 291 O LYS B 7 3.021 -21.966 -26.793 1.00 0.00 O ATOM 292 CB LYS B 7 2.332 -21.509 -29.913 1.00 0.00 C ATOM 293 CG LYS B 7 3.060 -20.235 -30.386 1.00 0.00 C ATOM 294 CD LYS B 7 2.276 -19.164 -31.273 1.00 0.00 C ATOM 295 CE LYS B 7 3.175 -18.007 -31.720 1.00 0.00 C ATOM 296 NZ LYS B 7 2.393 -17.054 -32.541 1.00 0.00 N ATOM 0 H LYS B 7 1.813 -23.541 -28.067 1.00 0.00 H new ATOM 0 HA LYS B 7 4.065 -22.638 -29.888 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.890 -22.011 -30.774 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.512 -21.230 -29.251 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.425 -19.719 -29.498 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.935 -20.551 -30.954 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.860 -19.658 -32.151 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.436 -18.768 -30.702 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.588 -17.498 -30.849 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.018 -18.390 -32.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.007 -16.270 -32.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.019 -17.543 -33.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.603 -16.678 -31.979 1.00 0.00 H new ATOM 310 N GLU B 8 4.901 -21.245 -27.710 1.00 0.00 N ATOM 311 CA GLU B 8 5.239 -20.316 -26.712 1.00 0.00 C ATOM 312 C GLU B 8 4.921 -18.854 -27.285 1.00 0.00 C ATOM 313 O GLU B 8 5.373 -18.562 -28.412 1.00 0.00 O ATOM 314 CB GLU B 8 6.674 -20.501 -26.217 1.00 0.00 C ATOM 315 CG GLU B 8 7.158 -19.323 -25.304 1.00 0.00 C ATOM 316 CD GLU B 8 8.612 -19.564 -24.828 1.00 0.00 C ATOM 317 OE1 GLU B 8 9.411 -20.063 -25.687 1.00 0.00 O ATOM 318 OE2 GLU B 8 9.016 -19.319 -23.624 1.00 0.00 O ATOM 0 H GLU B 8 5.644 -21.385 -28.394 1.00 0.00 H new ATOM 0 HA GLU B 8 4.638 -20.473 -25.816 1.00 0.00 H new ATOM 0 HB2 GLU B 8 6.744 -21.437 -25.663 1.00 0.00 H new ATOM 0 HB3 GLU B 8 7.341 -20.588 -27.075 1.00 0.00 H new ATOM 0 HG2 GLU B 8 7.100 -18.383 -25.853 1.00 0.00 H new ATOM 0 HG3 GLU B 8 6.498 -19.229 -24.442 1.00 0.00 H new ATOM 325 N GLY B 9 4.143 -18.067 -26.544 1.00 0.00 N ATOM 326 CA GLY B 9 3.554 -16.795 -27.013 1.00 0.00 C ATOM 327 C GLY B 9 4.571 -15.600 -26.924 1.00 0.00 C ATOM 328 O GLY B 9 4.603 -14.713 -27.835 1.00 0.00 O ATOM 0 H GLY B 9 3.894 -18.292 -25.581 1.00 0.00 H new ATOM 0 HA2 GLY B 9 3.221 -16.910 -28.044 1.00 0.00 H new ATOM 0 HA3 GLY B 9 2.671 -16.564 -26.417 1.00 0.00 H new ATOM 332 N VAL B 10 5.283 -15.571 -25.809 1.00 0.00 N ATOM 333 CA VAL B 10 6.392 -14.629 -25.543 1.00 0.00 C ATOM 334 C VAL B 10 7.437 -14.798 -26.691 1.00 0.00 C ATOM 335 O VAL B 10 7.739 -15.932 -27.144 1.00 0.00 O ATOM 336 CB VAL B 10 7.060 -14.983 -24.255 1.00 0.00 C ATOM 337 CG1 VAL B 10 8.384 -14.328 -24.010 1.00 0.00 C ATOM 338 CG2 VAL B 10 6.164 -14.375 -23.166 1.00 0.00 C ATOM 0 H VAL B 10 5.112 -16.213 -25.035 1.00 0.00 H new ATOM 0 HA VAL B 10 6.011 -13.609 -25.488 1.00 0.00 H new ATOM 0 HB VAL B 10 7.208 -16.063 -24.265 1.00 0.00 H new ATOM 0 HG11 VAL B 10 8.779 -14.655 -23.048 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.080 -14.606 -24.802 1.00 0.00 H new ATOM 0 HG13 VAL B 10 8.258 -13.245 -24.002 1.00 0.00 H new ATOM 0 HG21 VAL B 10 6.586 -14.591 -22.185 1.00 0.00 H new ATOM 0 HG22 VAL B 10 6.103 -13.296 -23.305 1.00 0.00 H new ATOM 0 HG23 VAL B 10 5.165 -14.806 -23.234 1.00 0.00 H new ATOM 348 N LYS B 11 8.070 -13.673 -27.160 1.00 0.00 N ATOM 349 CA LYS B 11 9.074 -13.890 -28.248 1.00 0.00 C ATOM 350 C LYS B 11 10.028 -12.657 -28.359 1.00 0.00 C ATOM 351 O LYS B 11 9.676 -11.515 -28.136 1.00 0.00 O ATOM 352 CB LYS B 11 8.328 -13.876 -29.552 1.00 0.00 C ATOM 353 CG LYS B 11 9.078 -14.574 -30.727 1.00 0.00 C ATOM 354 CD LYS B 11 8.462 -14.713 -32.159 1.00 0.00 C ATOM 355 CE LYS B 11 9.417 -15.397 -33.161 1.00 0.00 C ATOM 356 NZ LYS B 11 8.704 -15.605 -34.450 1.00 0.00 N ATOM 0 H LYS B 11 7.926 -12.714 -26.845 1.00 0.00 H new ATOM 0 HA LYS B 11 9.618 -14.811 -28.041 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.364 -14.364 -29.411 1.00 0.00 H new ATOM 0 HB3 LYS B 11 8.124 -12.842 -29.830 1.00 0.00 H new ATOM 0 HG2 LYS B 11 10.026 -14.049 -30.846 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.312 -15.584 -30.390 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.537 -15.287 -32.097 1.00 0.00 H new ATOM 0 HD3 LYS B 11 8.199 -13.724 -32.533 1.00 0.00 H new ATOM 0 HE2 LYS B 11 10.303 -14.781 -33.317 1.00 0.00 H new ATOM 0 HE3 LYS B 11 9.759 -16.352 -32.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 9.342 -16.066 -35.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 7.872 -16.209 -34.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 8.399 -14.686 -34.830 1.00 0.00 H new ATOM 370 N THR B 12 11.319 -12.903 -28.701 1.00 0.00 N ATOM 371 CA THR B 12 12.440 -11.932 -28.963 1.00 0.00 C ATOM 372 C THR B 12 12.003 -10.820 -29.945 1.00 0.00 C ATOM 373 O THR B 12 12.574 -9.754 -29.953 1.00 0.00 O ATOM 374 CB THR B 12 13.706 -12.640 -29.604 1.00 0.00 C ATOM 375 OG1 THR B 12 13.366 -13.062 -30.912 1.00 0.00 O ATOM 376 CG2 THR B 12 14.170 -13.801 -28.770 1.00 0.00 C ATOM 0 H THR B 12 11.641 -13.864 -28.813 1.00 0.00 H new ATOM 0 HA THR B 12 12.697 -11.513 -27.990 1.00 0.00 H new ATOM 0 HB THR B 12 14.534 -11.932 -29.644 1.00 0.00 H new ATOM 0 HG1 THR B 12 13.894 -12.558 -31.566 1.00 0.00 H new ATOM 0 HG21 THR B 12 15.039 -14.262 -29.240 1.00 0.00 H new ATOM 0 HG22 THR B 12 14.440 -13.449 -27.774 1.00 0.00 H new ATOM 0 HG23 THR B 12 13.368 -14.535 -28.690 1.00 0.00 H new ATOM 384 N GLU B 13 10.976 -11.087 -30.778 1.00 0.00 N ATOM 385 CA GLU B 13 10.530 -10.097 -31.799 1.00 0.00 C ATOM 386 C GLU B 13 9.381 -9.216 -31.405 1.00 0.00 C ATOM 387 O GLU B 13 8.745 -8.600 -32.283 1.00 0.00 O ATOM 388 CB GLU B 13 10.260 -10.833 -33.137 1.00 0.00 C ATOM 389 CG GLU B 13 11.283 -11.938 -33.581 1.00 0.00 C ATOM 390 CD GLU B 13 12.732 -11.442 -33.499 1.00 0.00 C ATOM 391 OE1 GLU B 13 12.990 -10.196 -33.458 1.00 0.00 O ATOM 392 OE2 GLU B 13 13.628 -12.319 -33.426 1.00 0.00 O ATOM 0 H GLU B 13 10.445 -11.958 -30.771 1.00 0.00 H new ATOM 0 HA GLU B 13 11.352 -9.389 -31.908 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.275 -11.294 -33.073 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.211 -10.084 -33.928 1.00 0.00 H new ATOM 0 HG2 GLU B 13 11.164 -12.818 -32.949 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.062 -12.247 -34.603 1.00 0.00 H new ATOM 399 N ASN B 14 8.956 -9.259 -30.148 1.00 0.00 N ATOM 400 CA ASN B 14 8.017 -8.345 -29.458 1.00 0.00 C ATOM 401 C ASN B 14 8.665 -7.084 -28.989 1.00 0.00 C ATOM 402 O ASN B 14 7.978 -6.216 -28.385 1.00 0.00 O ATOM 403 CB ASN B 14 7.453 -9.073 -28.240 1.00 0.00 C ATOM 404 CG ASN B 14 6.453 -10.158 -28.508 1.00 0.00 C ATOM 405 OD1 ASN B 14 6.399 -11.096 -27.752 1.00 0.00 O ATOM 406 ND2 ASN B 14 5.649 -10.136 -29.629 1.00 0.00 N ATOM 0 H ASN B 14 9.281 -9.994 -29.520 1.00 0.00 H new ATOM 0 HA ASN B 14 7.243 -8.068 -30.174 1.00 0.00 H new ATOM 0 HB2 ASN B 14 8.286 -9.507 -27.687 1.00 0.00 H new ATOM 0 HB3 ASN B 14 6.987 -8.334 -27.587 1.00 0.00 H new ATOM 0 HD21 ASN B 14 5.012 -10.911 -29.815 1.00 0.00 H new ATOM 0 HD22 ASN B 14 5.691 -9.345 -30.271 1.00 0.00 H new ATOM 413 N ASN B 15 9.946 -6.775 -29.184 1.00 0.00 N ATOM 414 CA ASN B 15 10.682 -5.657 -28.476 1.00 0.00 C ATOM 415 C ASN B 15 10.226 -4.285 -29.057 1.00 0.00 C ATOM 416 O ASN B 15 10.138 -4.269 -30.252 1.00 0.00 O ATOM 417 CB ASN B 15 12.105 -6.061 -28.660 1.00 0.00 C ATOM 418 CG ASN B 15 13.112 -5.167 -27.908 1.00 0.00 C ATOM 419 OD1 ASN B 15 12.772 -4.128 -27.402 1.00 0.00 O ATOM 420 ND2 ASN B 15 14.347 -5.482 -27.851 1.00 0.00 N ATOM 0 H ASN B 15 10.536 -7.284 -29.842 1.00 0.00 H new ATOM 0 HA ASN B 15 10.488 -5.515 -27.413 1.00 0.00 H new ATOM 0 HB2 ASN B 15 12.226 -7.091 -28.323 1.00 0.00 H new ATOM 0 HB3 ASN B 15 12.343 -6.043 -29.724 1.00 0.00 H new ATOM 0 HD21 ASN B 15 15.011 -4.861 -27.388 1.00 0.00 H new ATOM 0 HD22 ASN B 15 14.671 -6.354 -28.269 1.00 0.00 H new ATOM 427 N ASP B 16 10.153 -3.163 -28.272 1.00 0.00 N ATOM 428 CA ASP B 16 9.761 -1.854 -28.786 1.00 0.00 C ATOM 429 C ASP B 16 10.937 -0.938 -28.802 1.00 0.00 C ATOM 430 O ASP B 16 11.586 -0.776 -27.757 1.00 0.00 O ATOM 431 CB ASP B 16 8.571 -1.221 -28.020 1.00 0.00 C ATOM 432 CG ASP B 16 7.255 -1.971 -28.243 1.00 0.00 C ATOM 433 OD1 ASP B 16 6.845 -2.207 -29.443 1.00 0.00 O ATOM 434 OD2 ASP B 16 6.649 -2.524 -27.287 1.00 0.00 O ATOM 0 H ASP B 16 10.367 -3.165 -27.275 1.00 0.00 H new ATOM 0 HA ASP B 16 9.407 -2.008 -29.805 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.798 -1.205 -26.954 1.00 0.00 H new ATOM 0 HB3 ASP B 16 8.451 -0.185 -28.336 1.00 0.00 H new ATOM 439 N HIS B 17 11.118 -0.259 -29.932 1.00 0.00 N ATOM 440 CA HIS B 17 12.163 0.767 -30.140 1.00 0.00 C ATOM 441 C HIS B 17 11.862 2.016 -29.334 1.00 0.00 C ATOM 442 O HIS B 17 10.744 2.507 -29.049 1.00 0.00 O ATOM 443 CB HIS B 17 12.154 1.183 -31.608 1.00 0.00 C ATOM 444 CG HIS B 17 12.346 0.045 -32.605 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.249 -0.814 -33.047 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.481 -0.399 -33.291 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.771 -1.731 -33.857 1.00 0.00 C ATOM 448 NE2 HIS B 17 13.075 -1.446 -34.072 1.00 0.00 N ATOM 0 H HIS B 17 10.533 -0.403 -30.755 1.00 0.00 H new ATOM 0 HA HIS B 17 13.120 0.344 -29.835 1.00 0.00 H new ATOM 0 HB2 HIS B 17 11.207 1.678 -31.823 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.942 1.920 -31.765 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.480 0.005 -33.218 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.237 -2.571 -34.277 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.675 -1.945 -34.729 1.00 0.00 H new ATOM 456 N ILE B 18 12.993 2.671 -28.988 1.00 0.00 N ATOM 457 CA ILE B 18 13.095 4.021 -28.415 1.00 0.00 C ATOM 458 C ILE B 18 13.379 4.978 -29.546 1.00 0.00 C ATOM 459 O ILE B 18 14.083 4.650 -30.499 1.00 0.00 O ATOM 460 CB ILE B 18 14.092 4.023 -27.207 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.166 5.429 -26.513 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.478 3.607 -27.508 1.00 0.00 C ATOM 463 CD1 ILE B 18 15.223 5.514 -25.396 1.00 0.00 C ATOM 0 H ILE B 18 13.910 2.241 -29.111 1.00 0.00 H new ATOM 0 HA ILE B 18 12.166 4.368 -27.962 1.00 0.00 H new ATOM 0 HB ILE B 18 13.662 3.267 -26.550 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.385 6.185 -27.267 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.189 5.670 -26.095 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.076 3.648 -26.598 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.476 2.588 -27.896 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.906 4.278 -28.253 1.00 0.00 H new ATOM 0 HD11 ILE B 18 15.216 6.514 -24.963 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.994 4.782 -24.621 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.209 5.306 -25.811 1.00 0.00 H new ATOM 475 N ASN B 19 12.833 6.203 -29.514 1.00 0.00 N ATOM 476 CA ASN B 19 12.947 7.074 -30.714 1.00 0.00 C ATOM 477 C ASN B 19 13.655 8.381 -30.315 1.00 0.00 C ATOM 478 O ASN B 19 13.160 9.137 -29.524 1.00 0.00 O ATOM 479 CB ASN B 19 11.541 7.394 -31.216 1.00 0.00 C ATOM 480 CG ASN B 19 10.668 6.104 -31.362 1.00 0.00 C ATOM 481 OD1 ASN B 19 10.658 5.482 -32.439 1.00 0.00 O ATOM 482 ND2 ASN B 19 10.035 5.631 -30.312 1.00 0.00 N ATOM 0 H ASN B 19 12.333 6.605 -28.722 1.00 0.00 H new ATOM 0 HA ASN B 19 13.517 6.572 -31.496 1.00 0.00 H new ATOM 0 HB2 ASN B 19 11.057 8.084 -30.525 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.605 7.900 -32.179 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.530 4.747 -30.376 1.00 0.00 H new ATOM 0 HD22 ASN B 19 10.049 6.148 -29.433 1.00 0.00 H new ATOM 489 N LEU B 20 14.859 8.571 -30.842 1.00 0.00 N ATOM 490 CA LEU B 20 15.844 9.508 -30.390 1.00 0.00 C ATOM 491 C LEU B 20 16.180 10.524 -31.590 1.00 0.00 C ATOM 492 O LEU B 20 16.838 10.199 -32.585 1.00 0.00 O ATOM 493 CB LEU B 20 17.101 8.754 -29.857 1.00 0.00 C ATOM 494 CG LEU B 20 16.805 7.740 -28.734 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.170 7.123 -28.370 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.416 8.569 -27.520 1.00 0.00 C ATOM 0 H LEU B 20 15.180 8.033 -31.647 1.00 0.00 H new ATOM 0 HA LEU B 20 15.464 10.095 -29.554 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.575 8.231 -30.687 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.820 9.486 -29.489 1.00 0.00 H new ATOM 0 HG LEU B 20 16.052 7.004 -29.015 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.037 6.390 -27.575 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.594 6.634 -29.247 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.845 7.908 -28.030 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.192 7.907 -26.684 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.241 9.228 -27.250 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.536 9.167 -27.755 1.00 0.00 H new ATOM 508 N LYS B 21 15.720 11.735 -31.446 1.00 0.00 N ATOM 509 CA LYS B 21 16.062 12.835 -32.363 1.00 0.00 C ATOM 510 C LYS B 21 17.521 13.317 -32.098 1.00 0.00 C ATOM 511 O LYS B 21 17.981 13.314 -30.956 1.00 0.00 O ATOM 512 CB LYS B 21 15.122 13.955 -32.059 1.00 0.00 C ATOM 513 CG LYS B 21 13.829 13.837 -32.815 1.00 0.00 C ATOM 514 CD LYS B 21 13.024 15.089 -32.571 1.00 0.00 C ATOM 515 CE LYS B 21 11.585 15.081 -33.043 1.00 0.00 C ATOM 516 NZ LYS B 21 11.397 14.707 -34.434 1.00 0.00 N ATOM 0 H LYS B 21 15.092 12.009 -30.691 1.00 0.00 H new ATOM 0 HA LYS B 21 15.985 12.510 -33.401 1.00 0.00 H new ATOM 0 HB2 LYS B 21 14.914 13.971 -30.989 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.599 14.904 -32.306 1.00 0.00 H new ATOM 0 HG2 LYS B 21 14.022 13.711 -33.880 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.275 12.958 -32.485 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.029 15.292 -31.500 1.00 0.00 H new ATOM 0 HD3 LYS B 21 13.535 15.921 -33.055 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.017 14.392 -32.417 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.162 16.074 -32.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 10.674 15.319 -34.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 12.295 14.818 -34.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 11.087 13.716 -34.488 1.00 0.00 H new ATOM 530 N VAL B 22 18.146 13.760 -33.168 1.00 0.00 N ATOM 531 CA VAL B 22 19.520 14.293 -33.353 1.00 0.00 C ATOM 532 C VAL B 22 19.484 15.590 -34.172 1.00 0.00 C ATOM 533 O VAL B 22 19.154 15.563 -35.379 1.00 0.00 O ATOM 534 CB VAL B 22 20.550 13.334 -33.963 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.936 14.014 -34.078 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.741 12.121 -33.053 1.00 0.00 C ATOM 0 H VAL B 22 17.652 13.764 -34.061 1.00 0.00 H new ATOM 0 HA VAL B 22 19.869 14.468 -32.335 1.00 0.00 H new ATOM 0 HB VAL B 22 20.177 13.044 -34.945 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.650 13.314 -34.513 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.857 14.895 -34.715 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.278 14.312 -33.087 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.474 11.446 -33.495 1.00 0.00 H new ATOM 0 HG22 VAL B 22 21.094 12.451 -32.076 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.791 11.599 -32.938 1.00 0.00 H new ATOM 546 N ALA B 23 19.961 16.723 -33.528 1.00 0.00 N ATOM 547 CA ALA B 23 19.701 18.035 -34.118 1.00 0.00 C ATOM 548 C ALA B 23 20.928 18.934 -34.000 1.00 0.00 C ATOM 549 O ALA B 23 21.431 19.383 -32.943 1.00 0.00 O ATOM 550 CB ALA B 23 18.510 18.612 -33.298 1.00 0.00 C ATOM 0 H ALA B 23 20.491 16.727 -32.657 1.00 0.00 H new ATOM 0 HA ALA B 23 19.472 17.969 -35.182 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.251 19.600 -33.679 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.649 17.950 -33.391 1.00 0.00 H new ATOM 0 HB3 ALA B 23 18.795 18.691 -32.249 1.00 0.00 H new ATOM 556 N GLY B 24 21.396 19.345 -35.107 1.00 0.00 N ATOM 557 CA GLY B 24 22.466 20.395 -35.275 1.00 0.00 C ATOM 558 C GLY B 24 21.993 21.817 -35.101 1.00 0.00 C ATOM 559 O GLY B 24 20.831 22.113 -35.471 1.00 0.00 O ATOM 0 H GLY B 24 21.067 18.978 -36.000 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.261 20.201 -34.555 1.00 0.00 H new ATOM 0 HA3 GLY B 24 22.903 20.292 -36.268 1.00 0.00 H new ATOM 563 N GLN B 25 22.860 22.715 -34.768 1.00 0.00 N ATOM 564 CA GLN B 25 22.487 24.101 -34.502 1.00 0.00 C ATOM 565 C GLN B 25 22.238 24.900 -35.821 1.00 0.00 C ATOM 566 O GLN B 25 21.760 26.034 -35.776 1.00 0.00 O ATOM 567 CB GLN B 25 23.551 24.804 -33.672 1.00 0.00 C ATOM 568 CG GLN B 25 24.250 24.051 -32.581 1.00 0.00 C ATOM 569 CD GLN B 25 23.248 23.524 -31.487 1.00 0.00 C ATOM 570 OE1 GLN B 25 22.379 24.166 -30.916 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.391 22.289 -31.065 1.00 0.00 N ATOM 0 H GLN B 25 23.857 22.526 -34.667 1.00 0.00 H new ATOM 0 HA GLN B 25 21.555 24.073 -33.938 1.00 0.00 H new ATOM 0 HB2 GLN B 25 24.315 25.168 -34.359 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.087 25.680 -33.219 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.791 23.209 -33.012 1.00 0.00 H new ATOM 0 HG3 GLN B 25 24.990 24.699 -32.111 1.00 0.00 H new ATOM 0 HE21 GLN B 25 24.094 21.684 -31.488 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.799 21.935 -30.314 1.00 0.00 H new ATOM 580 N ASP B 26 22.466 24.339 -36.975 1.00 0.00 N ATOM 581 CA ASP B 26 22.324 24.744 -38.358 1.00 0.00 C ATOM 582 C ASP B 26 20.871 24.484 -38.823 1.00 0.00 C ATOM 583 O ASP B 26 20.542 24.919 -39.890 1.00 0.00 O ATOM 584 CB ASP B 26 23.276 23.945 -39.251 1.00 0.00 C ATOM 585 CG ASP B 26 23.348 22.505 -38.931 1.00 0.00 C ATOM 586 OD1 ASP B 26 22.416 21.910 -38.318 1.00 0.00 O ATOM 587 OD2 ASP B 26 24.404 21.878 -39.125 1.00 0.00 O ATOM 0 H ASP B 26 22.833 23.387 -36.962 1.00 0.00 H new ATOM 0 HA ASP B 26 22.563 25.805 -38.436 1.00 0.00 H new ATOM 0 HB2 ASP B 26 22.963 24.059 -40.289 1.00 0.00 H new ATOM 0 HB3 ASP B 26 24.275 24.373 -39.171 1.00 0.00 H new ATOM 592 N GLY B 27 20.051 23.691 -38.160 1.00 0.00 N ATOM 593 CA GLY B 27 18.699 23.335 -38.564 1.00 0.00 C ATOM 594 C GLY B 27 18.632 21.965 -39.238 1.00 0.00 C ATOM 595 O GLY B 27 17.532 21.483 -39.421 1.00 0.00 O ATOM 0 H GLY B 27 20.322 23.254 -37.279 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.049 23.338 -37.689 1.00 0.00 H new ATOM 0 HA3 GLY B 27 18.316 24.092 -39.248 1.00 0.00 H new ATOM 599 N SER B 28 19.670 21.238 -39.391 1.00 0.00 N ATOM 600 CA SER B 28 19.667 19.769 -39.673 1.00 0.00 C ATOM 601 C SER B 28 18.972 19.047 -38.493 1.00 0.00 C ATOM 602 O SER B 28 19.264 19.257 -37.341 1.00 0.00 O ATOM 603 CB SER B 28 21.115 19.254 -39.805 1.00 0.00 C ATOM 604 OG SER B 28 21.878 19.462 -38.637 1.00 0.00 O ATOM 0 H SER B 28 20.613 21.623 -39.329 1.00 0.00 H new ATOM 0 HA SER B 28 19.137 19.573 -40.605 1.00 0.00 H new ATOM 0 HB2 SER B 28 21.097 18.189 -40.037 1.00 0.00 H new ATOM 0 HB3 SER B 28 21.599 19.755 -40.644 1.00 0.00 H new ATOM 0 HG SER B 28 22.273 20.359 -38.660 1.00 0.00 H new ATOM 610 N VAL B 29 18.057 18.082 -38.812 1.00 0.00 N ATOM 611 CA VAL B 29 17.300 17.220 -37.899 1.00 0.00 C ATOM 612 C VAL B 29 16.990 15.895 -38.539 1.00 0.00 C ATOM 613 O VAL B 29 16.437 15.757 -39.621 1.00 0.00 O ATOM 614 CB VAL B 29 15.914 17.749 -37.471 1.00 0.00 C ATOM 615 CG1 VAL B 29 15.563 17.184 -36.080 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.798 19.308 -37.501 1.00 0.00 C ATOM 0 H VAL B 29 17.826 17.886 -39.786 1.00 0.00 H new ATOM 0 HA VAL B 29 17.960 17.165 -37.033 1.00 0.00 H new ATOM 0 HB VAL B 29 15.190 17.399 -38.207 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.585 17.555 -35.773 1.00 0.00 H new ATOM 0 HG12 VAL B 29 15.541 16.095 -36.125 1.00 0.00 H new ATOM 0 HG13 VAL B 29 16.315 17.502 -35.358 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.797 19.604 -37.188 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.533 19.741 -36.823 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.983 19.667 -38.513 1.00 0.00 H new ATOM 626 N VAL B 30 17.260 14.779 -37.768 1.00 0.00 N ATOM 627 CA VAL B 30 16.843 13.422 -37.975 1.00 0.00 C ATOM 628 C VAL B 30 16.358 12.805 -36.668 1.00 0.00 C ATOM 629 O VAL B 30 16.780 13.166 -35.581 1.00 0.00 O ATOM 630 CB VAL B 30 17.929 12.671 -38.690 1.00 0.00 C ATOM 631 CG1 VAL B 30 18.712 13.337 -39.861 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.952 12.210 -37.588 1.00 0.00 C ATOM 0 H VAL B 30 17.827 14.862 -36.924 1.00 0.00 H new ATOM 0 HA VAL B 30 15.974 13.371 -38.631 1.00 0.00 H new ATOM 0 HB VAL B 30 17.395 11.882 -39.219 1.00 0.00 H new ATOM 0 HG11 VAL B 30 19.453 12.637 -40.247 1.00 0.00 H new ATOM 0 HG12 VAL B 30 18.017 13.606 -40.657 1.00 0.00 H new ATOM 0 HG13 VAL B 30 19.214 14.234 -39.499 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.766 11.656 -38.056 1.00 0.00 H new ATOM 0 HG22 VAL B 30 19.355 13.084 -37.077 1.00 0.00 H new ATOM 0 HG23 VAL B 30 18.445 11.569 -36.866 1.00 0.00 H new ATOM 642 N GLN B 31 15.500 11.747 -36.822 1.00 0.00 N ATOM 643 CA GLN B 31 14.877 11.055 -35.749 1.00 0.00 C ATOM 644 C GLN B 31 15.303 9.542 -35.919 1.00 0.00 C ATOM 645 O GLN B 31 14.963 8.949 -36.936 1.00 0.00 O ATOM 646 CB GLN B 31 13.350 11.210 -35.785 1.00 0.00 C ATOM 647 CG GLN B 31 12.652 10.322 -34.646 1.00 0.00 C ATOM 648 CD GLN B 31 11.265 10.793 -34.234 1.00 0.00 C ATOM 649 OE1 GLN B 31 11.005 11.963 -34.249 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.328 9.984 -33.797 1.00 0.00 N ATOM 0 H GLN B 31 15.245 11.377 -37.738 1.00 0.00 H new ATOM 0 HA GLN B 31 15.189 11.456 -34.785 1.00 0.00 H new ATOM 0 HB2 GLN B 31 13.084 12.258 -35.647 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.974 10.912 -36.764 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.582 9.293 -34.999 1.00 0.00 H new ATOM 0 HG3 GLN B 31 13.295 10.314 -33.766 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.497 8.979 -33.763 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.431 10.361 -33.491 1.00 0.00 H new ATOM 659 N PHE B 32 16.023 8.943 -34.974 1.00 0.00 N ATOM 660 CA PHE B 32 16.413 7.483 -34.955 1.00 0.00 C ATOM 661 C PHE B 32 15.445 6.577 -34.258 1.00 0.00 C ATOM 662 O PHE B 32 15.117 6.749 -33.053 1.00 0.00 O ATOM 663 CB PHE B 32 17.876 7.431 -34.284 1.00 0.00 C ATOM 664 CG PHE B 32 18.937 8.068 -35.143 1.00 0.00 C ATOM 665 CD1 PHE B 32 19.406 7.362 -36.326 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.443 9.309 -34.881 1.00 0.00 C ATOM 667 CE1 PHE B 32 20.299 7.989 -37.203 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.284 9.926 -35.796 1.00 0.00 C ATOM 669 CZ PHE B 32 20.706 9.310 -36.978 1.00 0.00 C ATOM 0 H PHE B 32 16.376 9.451 -34.163 1.00 0.00 H new ATOM 0 HA PHE B 32 16.408 7.097 -35.974 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.846 7.936 -33.318 1.00 0.00 H new ATOM 0 HB3 PHE B 32 18.146 6.392 -34.092 1.00 0.00 H new ATOM 0 HD1 PHE B 32 19.066 6.357 -36.527 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.188 9.811 -33.960 1.00 0.00 H new ATOM 0 HE1 PHE B 32 20.677 7.450 -38.059 1.00 0.00 H new ATOM 0 HE2 PHE B 32 20.628 10.928 -35.586 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.324 9.834 -37.692 1.00 0.00 H new ATOM 679 N LYS B 33 15.026 5.502 -34.937 1.00 0.00 N ATOM 680 CA LYS B 33 14.192 4.399 -34.368 1.00 0.00 C ATOM 681 C LYS B 33 15.104 3.183 -34.080 1.00 0.00 C ATOM 682 O LYS B 33 15.462 2.404 -34.953 1.00 0.00 O ATOM 683 CB LYS B 33 12.944 4.303 -35.161 1.00 0.00 C ATOM 684 CG LYS B 33 12.191 2.984 -34.830 1.00 0.00 C ATOM 685 CD LYS B 33 10.893 2.817 -35.804 1.00 0.00 C ATOM 686 CE LYS B 33 10.153 1.584 -35.240 1.00 0.00 C ATOM 687 NZ LYS B 33 9.052 1.042 -36.086 1.00 0.00 N ATOM 0 H LYS B 33 15.255 5.357 -35.921 1.00 0.00 H new ATOM 0 HA LYS B 33 13.776 4.553 -33.372 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.303 5.158 -34.947 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.178 4.338 -36.225 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.861 2.133 -34.955 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.874 2.989 -33.787 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.261 3.705 -35.782 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.190 2.663 -36.841 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.882 0.791 -35.075 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.741 1.846 -34.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.625 0.219 -35.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.328 1.775 -36.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.434 0.753 -37.009 1.00 0.00 H new ATOM 701 N ILE B 34 15.650 3.157 -32.871 1.00 0.00 N ATOM 702 CA ILE B 34 16.587 2.121 -32.404 1.00 0.00 C ATOM 703 C ILE B 34 16.057 1.317 -31.189 1.00 0.00 C ATOM 704 O ILE B 34 14.957 1.512 -30.833 1.00 0.00 O ATOM 705 CB ILE B 34 17.978 2.752 -32.075 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.835 3.751 -30.865 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.565 3.304 -33.386 1.00 0.00 C ATOM 708 CD1 ILE B 34 19.159 3.828 -30.023 1.00 0.00 C ATOM 0 H ILE B 34 15.455 3.868 -32.166 1.00 0.00 H new ATOM 0 HA ILE B 34 16.693 1.409 -33.223 1.00 0.00 H new ATOM 0 HB ILE B 34 18.712 2.031 -31.714 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.582 4.743 -31.239 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.013 3.433 -30.224 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.539 3.752 -33.188 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.678 2.492 -34.104 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.894 4.059 -33.795 1.00 0.00 H new ATOM 0 HD11 ILE B 34 19.025 4.526 -29.197 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.397 2.840 -29.628 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.975 4.171 -30.659 1.00 0.00 H new ATOM 720 N LYS B 35 16.735 0.335 -30.615 1.00 0.00 N ATOM 721 CA LYS B 35 16.321 -0.481 -29.487 1.00 0.00 C ATOM 722 C LYS B 35 17.103 0.001 -28.288 1.00 0.00 C ATOM 723 O LYS B 35 18.128 0.663 -28.442 1.00 0.00 O ATOM 724 CB LYS B 35 16.686 -1.977 -29.858 1.00 0.00 C ATOM 725 CG LYS B 35 15.679 -2.654 -30.755 1.00 0.00 C ATOM 726 CD LYS B 35 16.039 -4.052 -31.179 1.00 0.00 C ATOM 727 CE LYS B 35 15.062 -4.414 -32.175 1.00 0.00 C ATOM 728 NZ LYS B 35 15.442 -5.744 -32.673 1.00 0.00 N ATOM 0 H LYS B 35 17.660 0.069 -30.953 1.00 0.00 H new ATOM 0 HA LYS B 35 15.256 -0.415 -29.263 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.660 -1.991 -30.348 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.783 -2.554 -28.939 1.00 0.00 H new ATOM 0 HG2 LYS B 35 14.719 -2.683 -30.240 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.543 -2.044 -31.648 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.049 -4.091 -31.587 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.010 -4.739 -30.333 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.060 -4.433 -31.746 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.048 -3.686 -32.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.590 -6.332 -32.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.912 -5.648 -33.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.092 -6.195 -31.998 1.00 0.00 H new ATOM 742 N ARG B 36 16.600 -0.234 -27.105 1.00 0.00 N ATOM 743 CA ARG B 36 17.092 0.469 -25.830 1.00 0.00 C ATOM 744 C ARG B 36 18.595 0.153 -25.477 1.00 0.00 C ATOM 745 O ARG B 36 19.251 0.978 -24.847 1.00 0.00 O ATOM 746 CB ARG B 36 16.119 0.179 -24.678 1.00 0.00 C ATOM 747 CG ARG B 36 16.261 1.204 -23.521 1.00 0.00 C ATOM 748 CD ARG B 36 15.350 0.897 -22.338 1.00 0.00 C ATOM 749 NE ARG B 36 15.831 -0.090 -21.447 1.00 0.00 N ATOM 750 CZ ARG B 36 16.560 0.036 -20.304 1.00 0.00 C ATOM 751 NH1 ARG B 36 17.081 1.190 -19.974 1.00 0.00 N ATOM 752 NH2 ARG B 36 16.815 -1.016 -19.582 1.00 0.00 N ATOM 0 H ARG B 36 15.845 -0.900 -26.941 1.00 0.00 H new ATOM 0 HA ARG B 36 17.092 1.543 -26.013 1.00 0.00 H new ATOM 0 HB2 ARG B 36 15.096 0.198 -25.055 1.00 0.00 H new ATOM 0 HB3 ARG B 36 16.300 -0.826 -24.296 1.00 0.00 H new ATOM 0 HG2 ARG B 36 17.296 1.218 -23.181 1.00 0.00 H new ATOM 0 HG3 ARG B 36 16.035 2.202 -23.897 1.00 0.00 H new ATOM 0 HD2 ARG B 36 15.184 1.818 -21.779 1.00 0.00 H new ATOM 0 HD3 ARG B 36 14.381 0.577 -22.720 1.00 0.00 H new ATOM 0 HE ARG B 36 15.594 -1.049 -21.701 1.00 0.00 H new ATOM 0 HH11 ARG B 36 16.942 2.003 -20.575 1.00 0.00 H new ATOM 0 HH12 ARG B 36 17.626 1.277 -19.116 1.00 0.00 H new ATOM 0 HH21 ARG B 36 16.469 -1.930 -19.873 1.00 0.00 H new ATOM 0 HH22 ARG B 36 17.361 -0.926 -18.725 1.00 0.00 H new ATOM 766 N HIS B 37 19.146 -0.959 -26.061 1.00 0.00 N ATOM 767 CA HIS B 37 20.556 -1.425 -26.060 1.00 0.00 C ATOM 768 C HIS B 37 21.425 -1.129 -27.347 1.00 0.00 C ATOM 769 O HIS B 37 22.569 -1.544 -27.445 1.00 0.00 O ATOM 770 CB HIS B 37 20.602 -2.966 -25.779 1.00 0.00 C ATOM 771 CG HIS B 37 20.377 -3.875 -26.924 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.128 -4.114 -27.608 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.291 -4.710 -27.512 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.377 -5.035 -28.559 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.651 -5.410 -28.560 1.00 0.00 N ATOM 0 H HIS B 37 18.555 -1.602 -26.588 1.00 0.00 H new ATOM 0 HA HIS B 37 21.015 -0.827 -25.273 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.576 -3.201 -25.349 1.00 0.00 H new ATOM 0 HB3 HIS B 37 19.855 -3.192 -25.018 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.326 -4.815 -27.223 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.631 -5.421 -29.238 1.00 0.00 H new ATOM 0 HE2 HIS B 37 21.086 -6.077 -29.197 1.00 0.00 H new ATOM 783 N THR B 38 20.860 -0.549 -28.373 1.00 0.00 N ATOM 784 CA THR B 38 21.634 -0.096 -29.615 1.00 0.00 C ATOM 785 C THR B 38 22.485 1.037 -29.226 1.00 0.00 C ATOM 786 O THR B 38 22.016 1.835 -28.415 1.00 0.00 O ATOM 787 CB THR B 38 20.656 0.419 -30.728 1.00 0.00 C ATOM 788 OG1 THR B 38 19.558 -0.541 -30.858 1.00 0.00 O ATOM 789 CG2 THR B 38 21.142 0.734 -32.116 1.00 0.00 C ATOM 0 H THR B 38 19.860 -0.355 -28.422 1.00 0.00 H new ATOM 0 HA THR B 38 22.210 -0.938 -29.998 1.00 0.00 H new ATOM 0 HB THR B 38 20.405 1.407 -30.343 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.332 -0.653 -31.805 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.305 1.074 -32.726 1.00 0.00 H new ATOM 0 HG22 THR B 38 21.898 1.518 -32.068 1.00 0.00 H new ATOM 0 HG23 THR B 38 21.576 -0.161 -32.562 1.00 0.00 H new ATOM 797 N PRO B 39 23.761 1.121 -29.587 1.00 0.00 N ATOM 798 CA PRO B 39 24.730 2.189 -29.137 1.00 0.00 C ATOM 799 C PRO B 39 24.591 3.525 -29.922 1.00 0.00 C ATOM 800 O PRO B 39 24.303 3.451 -31.116 1.00 0.00 O ATOM 801 CB PRO B 39 26.115 1.586 -29.269 1.00 0.00 C ATOM 802 CG PRO B 39 25.950 0.607 -30.399 1.00 0.00 C ATOM 803 CD PRO B 39 24.502 0.115 -30.358 1.00 0.00 C ATOM 0 HA PRO B 39 24.518 2.474 -28.106 1.00 0.00 H new ATOM 0 HB2 PRO B 39 26.865 2.343 -29.497 1.00 0.00 H new ATOM 0 HB3 PRO B 39 26.430 1.092 -28.350 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.169 1.082 -31.355 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.644 -0.227 -30.291 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.094 0.014 -31.364 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.435 -0.866 -29.887 1.00 0.00 H new ATOM 811 N LEU B 40 24.956 4.670 -29.346 1.00 0.00 N ATOM 812 CA LEU B 40 24.727 6.030 -29.881 1.00 0.00 C ATOM 813 C LEU B 40 25.828 6.464 -30.899 1.00 0.00 C ATOM 814 O LEU B 40 25.527 7.224 -31.780 1.00 0.00 O ATOM 815 CB LEU B 40 24.393 6.986 -28.696 1.00 0.00 C ATOM 816 CG LEU B 40 23.116 6.585 -27.833 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.033 7.508 -26.617 1.00 0.00 C ATOM 818 CD2 LEU B 40 21.832 6.597 -28.602 1.00 0.00 C ATOM 0 H LEU B 40 25.444 4.685 -28.450 1.00 0.00 H new ATOM 0 HA LEU B 40 23.846 6.068 -30.522 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.258 7.032 -28.034 1.00 0.00 H new ATOM 0 HB3 LEU B 40 24.241 7.990 -29.093 1.00 0.00 H new ATOM 0 HG LEU B 40 23.248 5.549 -27.521 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.162 7.243 -26.018 1.00 0.00 H new ATOM 0 HD12 LEU B 40 23.935 7.398 -26.015 1.00 0.00 H new ATOM 0 HD13 LEU B 40 22.943 8.542 -26.950 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.011 6.313 -27.944 1.00 0.00 H new ATOM 0 HD22 LEU B 40 21.653 7.598 -28.995 1.00 0.00 H new ATOM 0 HD23 LEU B 40 21.896 5.889 -29.428 1.00 0.00 H new ATOM 830 N SER B 41 27.026 5.918 -30.913 1.00 0.00 N ATOM 831 CA SER B 41 28.017 5.958 -31.995 1.00 0.00 C ATOM 832 C SER B 41 27.407 5.769 -33.373 1.00 0.00 C ATOM 833 O SER B 41 27.803 6.565 -34.287 1.00 0.00 O ATOM 834 CB SER B 41 28.990 4.804 -31.739 1.00 0.00 C ATOM 835 OG SER B 41 28.271 3.600 -31.472 1.00 0.00 O ATOM 0 H SER B 41 27.370 5.391 -30.110 1.00 0.00 H new ATOM 0 HA SER B 41 28.495 6.938 -31.992 1.00 0.00 H new ATOM 0 HB2 SER B 41 29.636 4.665 -32.606 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.636 5.045 -30.895 1.00 0.00 H new ATOM 0 HG SER B 41 28.904 2.869 -31.312 1.00 0.00 H new ATOM 841 N LYS B 42 26.569 4.790 -33.455 1.00 0.00 N ATOM 842 CA LYS B 42 25.861 4.453 -34.695 1.00 0.00 C ATOM 843 C LYS B 42 24.980 5.525 -35.292 1.00 0.00 C ATOM 844 O LYS B 42 24.858 5.631 -36.520 1.00 0.00 O ATOM 845 CB LYS B 42 25.032 3.110 -34.617 1.00 0.00 C ATOM 846 CG LYS B 42 25.901 1.834 -34.587 1.00 0.00 C ATOM 847 CD LYS B 42 25.113 0.579 -34.681 1.00 0.00 C ATOM 848 CE LYS B 42 25.993 -0.719 -34.470 1.00 0.00 C ATOM 849 NZ LYS B 42 27.006 -1.058 -35.520 1.00 0.00 N ATOM 0 H LYS B 42 26.338 4.182 -32.669 1.00 0.00 H new ATOM 0 HA LYS B 42 26.707 4.332 -35.371 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.407 3.132 -33.724 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.361 3.060 -35.474 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.613 1.869 -35.412 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.482 1.821 -33.665 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.319 0.598 -33.935 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.632 0.531 -35.658 1.00 0.00 H new ATOM 0 HE2 LYS B 42 26.518 -0.616 -33.520 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.317 -1.569 -34.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 27.506 -1.929 -35.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 26.526 -1.201 -36.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 27.690 -0.279 -35.607 1.00 0.00 H new ATOM 863 N LEU B 43 24.272 6.262 -34.417 1.00 0.00 N ATOM 864 CA LEU B 43 23.392 7.384 -34.665 1.00 0.00 C ATOM 865 C LEU B 43 24.251 8.607 -35.018 1.00 0.00 C ATOM 866 O LEU B 43 24.063 9.217 -36.042 1.00 0.00 O ATOM 867 CB LEU B 43 22.549 7.671 -33.373 1.00 0.00 C ATOM 868 CG LEU B 43 21.399 6.592 -33.085 1.00 0.00 C ATOM 869 CD1 LEU B 43 21.952 5.150 -32.836 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.498 7.158 -31.923 1.00 0.00 C ATOM 0 H LEU B 43 24.318 6.052 -33.420 1.00 0.00 H new ATOM 0 HA LEU B 43 22.713 7.164 -35.489 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.221 7.707 -32.515 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.093 8.657 -33.462 1.00 0.00 H new ATOM 0 HG LEU B 43 20.781 6.455 -33.973 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.122 4.469 -32.647 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.503 4.815 -33.715 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.617 5.159 -31.972 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.702 6.447 -31.700 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.107 7.312 -31.032 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.060 8.107 -32.232 1.00 0.00 H new ATOM 882 N MET B 44 25.302 8.869 -34.169 1.00 0.00 N ATOM 883 CA MET B 44 26.226 10.012 -34.301 1.00 0.00 C ATOM 884 C MET B 44 27.029 9.910 -35.659 1.00 0.00 C ATOM 885 O MET B 44 27.072 10.905 -36.446 1.00 0.00 O ATOM 886 CB MET B 44 27.199 10.028 -33.118 1.00 0.00 C ATOM 887 CG MET B 44 26.525 10.367 -31.793 1.00 0.00 C ATOM 888 SD MET B 44 27.160 9.597 -30.266 1.00 0.00 S ATOM 889 CE MET B 44 28.975 9.874 -30.402 1.00 0.00 C ATOM 0 H MET B 44 25.518 8.274 -33.369 1.00 0.00 H new ATOM 0 HA MET B 44 25.649 10.937 -34.304 1.00 0.00 H new ATOM 0 HB2 MET B 44 27.678 9.052 -33.036 1.00 0.00 H new ATOM 0 HB3 MET B 44 27.988 10.754 -33.314 1.00 0.00 H new ATOM 0 HG2 MET B 44 26.575 11.448 -31.664 1.00 0.00 H new ATOM 0 HG3 MET B 44 25.471 10.105 -31.882 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.474 9.450 -29.531 1.00 0.00 H new ATOM 0 HE2 MET B 44 29.350 9.392 -31.305 1.00 0.00 H new ATOM 0 HE3 MET B 44 29.177 10.944 -30.451 1.00 0.00 H new ATOM 899 N LYS B 45 27.606 8.749 -35.948 1.00 0.00 N ATOM 900 CA LYS B 45 28.193 8.458 -37.260 1.00 0.00 C ATOM 901 C LYS B 45 27.143 8.588 -38.403 1.00 0.00 C ATOM 902 O LYS B 45 27.419 9.183 -39.411 1.00 0.00 O ATOM 903 CB LYS B 45 28.984 7.112 -37.361 1.00 0.00 C ATOM 904 CG LYS B 45 30.232 7.137 -36.440 1.00 0.00 C ATOM 905 CD LYS B 45 30.830 5.721 -36.239 1.00 0.00 C ATOM 906 CE LYS B 45 31.879 5.463 -35.102 1.00 0.00 C ATOM 907 NZ LYS B 45 32.340 4.039 -35.235 1.00 0.00 N ATOM 0 H LYS B 45 27.682 7.980 -35.282 1.00 0.00 H new ATOM 0 HA LYS B 45 28.952 9.230 -37.388 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.336 6.282 -37.080 1.00 0.00 H new ATOM 0 HB3 LYS B 45 29.291 6.942 -38.393 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.988 7.793 -36.871 1.00 0.00 H new ATOM 0 HG3 LYS B 45 29.960 7.557 -35.472 1.00 0.00 H new ATOM 0 HD2 LYS B 45 29.997 5.039 -36.071 1.00 0.00 H new ATOM 0 HD3 LYS B 45 31.295 5.430 -37.181 1.00 0.00 H new ATOM 0 HE2 LYS B 45 32.721 6.150 -35.193 1.00 0.00 H new ATOM 0 HE3 LYS B 45 31.433 5.633 -34.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 33.040 3.830 -34.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 31.526 3.400 -35.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.774 3.900 -36.170 1.00 0.00 H new ATOM 921 N ALA B 46 25.910 8.052 -38.263 1.00 0.00 N ATOM 922 CA ALA B 46 24.850 8.045 -39.328 1.00 0.00 C ATOM 923 C ALA B 46 24.363 9.423 -39.696 1.00 0.00 C ATOM 924 O ALA B 46 24.375 9.822 -40.882 1.00 0.00 O ATOM 925 CB ALA B 46 23.720 7.056 -38.968 1.00 0.00 C ATOM 0 H ALA B 46 25.607 7.603 -37.399 1.00 0.00 H new ATOM 0 HA ALA B 46 25.310 7.679 -40.246 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.963 7.067 -39.752 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.132 6.051 -38.875 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.266 7.351 -38.022 1.00 0.00 H new ATOM 931 N TYR B 47 24.190 10.278 -38.740 1.00 0.00 N ATOM 932 CA TYR B 47 24.040 11.729 -38.991 1.00 0.00 C ATOM 933 C TYR B 47 25.162 12.409 -39.816 1.00 0.00 C ATOM 934 O TYR B 47 24.940 13.111 -40.826 1.00 0.00 O ATOM 935 CB TYR B 47 23.927 12.491 -37.688 1.00 0.00 C ATOM 936 CG TYR B 47 23.949 13.980 -37.799 1.00 0.00 C ATOM 937 CD1 TYR B 47 22.751 14.662 -37.966 1.00 0.00 C ATOM 938 CD2 TYR B 47 25.143 14.738 -37.511 1.00 0.00 C ATOM 939 CE1 TYR B 47 22.727 16.089 -37.882 1.00 0.00 C ATOM 940 CE2 TYR B 47 25.082 16.094 -37.508 1.00 0.00 C ATOM 941 CZ TYR B 47 23.912 16.815 -37.674 1.00 0.00 C ATOM 942 OH TYR B 47 23.893 18.189 -37.608 1.00 0.00 O ATOM 0 H TYR B 47 24.145 10.020 -37.754 1.00 0.00 H new ATOM 0 HA TYR B 47 23.133 11.775 -39.593 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.000 12.196 -37.196 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.745 12.182 -37.037 1.00 0.00 H new ATOM 0 HD1 TYR B 47 21.840 14.116 -38.159 1.00 0.00 H new ATOM 0 HD2 TYR B 47 26.074 14.232 -37.300 1.00 0.00 H new ATOM 0 HE1 TYR B 47 21.788 16.614 -37.979 1.00 0.00 H new ATOM 0 HE2 TYR B 47 26.001 16.643 -37.368 1.00 0.00 H new ATOM 0 HH TYR B 47 23.094 18.527 -38.063 1.00 0.00 H new ATOM 952 N CYS B 48 26.339 12.153 -39.352 1.00 0.00 N ATOM 953 CA CYS B 48 27.580 12.736 -39.861 1.00 0.00 C ATOM 954 C CYS B 48 27.882 12.280 -41.289 1.00 0.00 C ATOM 955 O CYS B 48 28.371 13.049 -42.095 1.00 0.00 O ATOM 956 CB CYS B 48 28.603 12.290 -38.765 1.00 0.00 C ATOM 957 SG CYS B 48 30.204 12.884 -39.214 1.00 0.00 S ATOM 0 H CYS B 48 26.492 11.508 -38.576 1.00 0.00 H new ATOM 0 HA CYS B 48 27.577 13.819 -39.988 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.312 12.686 -37.792 1.00 0.00 H new ATOM 0 HB3 CYS B 48 28.614 11.204 -38.677 1.00 0.00 H new ATOM 0 HG CYS B 48 30.173 13.336 -40.432 1.00 0.00 H new ATOM 963 N GLU B 49 27.696 10.959 -41.568 1.00 0.00 N ATOM 964 CA GLU B 49 27.778 10.407 -42.914 1.00 0.00 C ATOM 965 C GLU B 49 26.789 11.110 -43.887 1.00 0.00 C ATOM 966 O GLU B 49 27.181 11.503 -45.002 1.00 0.00 O ATOM 967 CB GLU B 49 27.503 8.924 -42.959 1.00 0.00 C ATOM 968 CG GLU B 49 28.663 8.011 -42.486 1.00 0.00 C ATOM 969 CD GLU B 49 28.150 6.629 -42.093 1.00 0.00 C ATOM 970 OE1 GLU B 49 26.956 6.373 -42.426 1.00 0.00 O ATOM 971 OE2 GLU B 49 28.937 5.830 -41.518 1.00 0.00 O ATOM 0 H GLU B 49 27.486 10.263 -40.853 1.00 0.00 H new ATOM 0 HA GLU B 49 28.806 10.586 -43.229 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.628 8.717 -42.344 1.00 0.00 H new ATOM 0 HB3 GLU B 49 27.245 8.652 -43.982 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.402 7.915 -43.282 1.00 0.00 H new ATOM 0 HG3 GLU B 49 29.168 8.470 -41.636 1.00 0.00 H new ATOM 978 N ARG B 50 25.522 11.215 -43.494 1.00 0.00 N ATOM 979 CA ARG B 50 24.473 11.922 -44.296 1.00 0.00 C ATOM 980 C ARG B 50 24.698 13.357 -44.725 1.00 0.00 C ATOM 981 O ARG B 50 24.500 13.755 -45.871 1.00 0.00 O ATOM 982 CB ARG B 50 23.037 11.823 -43.732 1.00 0.00 C ATOM 983 CG ARG B 50 22.405 10.452 -43.876 1.00 0.00 C ATOM 984 CD ARG B 50 20.918 10.564 -43.717 1.00 0.00 C ATOM 985 NE ARG B 50 20.206 9.258 -43.622 1.00 0.00 N ATOM 986 CZ ARG B 50 19.026 9.051 -44.070 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.168 9.954 -44.434 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.616 7.832 -44.153 1.00 0.00 N ATOM 0 H ARG B 50 25.174 10.822 -42.619 1.00 0.00 H new ATOM 0 HA ARG B 50 24.590 11.321 -45.198 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.054 12.094 -42.676 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.409 12.555 -44.239 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.646 10.030 -44.852 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.811 9.773 -43.126 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.704 11.146 -42.821 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.516 11.122 -44.563 1.00 0.00 H new ATOM 0 HE ARG B 50 20.690 8.481 -43.172 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.412 10.943 -44.376 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.249 9.675 -44.779 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.227 7.068 -43.866 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.680 7.632 -44.506 1.00 0.00 H new ATOM 1002 N GLN B 51 25.301 14.061 -43.725 1.00 0.00 N ATOM 1003 CA GLN B 51 25.648 15.472 -43.834 1.00 0.00 C ATOM 1004 C GLN B 51 26.941 15.795 -44.523 1.00 0.00 C ATOM 1005 O GLN B 51 27.292 16.914 -44.791 1.00 0.00 O ATOM 1006 CB GLN B 51 25.397 16.279 -42.536 1.00 0.00 C ATOM 1007 CG GLN B 51 23.962 16.136 -41.964 1.00 0.00 C ATOM 1008 CD GLN B 51 22.988 17.167 -42.511 1.00 0.00 C ATOM 1009 OE1 GLN B 51 23.315 18.267 -42.989 1.00 0.00 O ATOM 1010 NE2 GLN B 51 21.730 16.855 -42.637 1.00 0.00 N ATOM 0 H GLN B 51 25.552 13.647 -42.827 1.00 0.00 H new ATOM 0 HA GLN B 51 24.916 15.840 -44.553 1.00 0.00 H new ATOM 0 HB2 GLN B 51 26.112 15.958 -41.778 1.00 0.00 H new ATOM 0 HB3 GLN B 51 25.594 17.333 -42.733 1.00 0.00 H new ATOM 0 HG2 GLN B 51 23.587 15.138 -42.189 1.00 0.00 H new ATOM 0 HG3 GLN B 51 24.001 16.224 -40.878 1.00 0.00 H new ATOM 0 HE21 GLN B 51 21.385 15.968 -42.270 1.00 0.00 H new ATOM 0 HE22 GLN B 51 21.089 17.498 -43.103 1.00 0.00 H new ATOM 1019 N GLY B 52 27.751 14.751 -44.850 1.00 0.00 N ATOM 1020 CA GLY B 52 29.103 14.772 -45.381 1.00 0.00 C ATOM 1021 C GLY B 52 30.171 15.480 -44.451 1.00 0.00 C ATOM 1022 O GLY B 52 30.968 16.291 -44.981 1.00 0.00 O ATOM 0 H GLY B 52 27.423 13.793 -44.729 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.423 13.746 -45.562 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.091 15.277 -46.347 1.00 0.00 H new ATOM 1026 N LEU B 53 30.097 15.285 -43.077 1.00 0.00 N ATOM 1027 CA LEU B 53 30.972 16.009 -42.089 1.00 0.00 C ATOM 1028 C LEU B 53 32.137 15.120 -41.810 1.00 0.00 C ATOM 1029 O LEU B 53 31.996 13.903 -41.811 1.00 0.00 O ATOM 1030 CB LEU B 53 30.180 16.413 -40.882 1.00 0.00 C ATOM 1031 CG LEU B 53 28.987 17.263 -41.216 1.00 0.00 C ATOM 1032 CD1 LEU B 53 28.061 17.334 -39.983 1.00 0.00 C ATOM 1033 CD2 LEU B 53 29.274 18.750 -41.502 1.00 0.00 C ATOM 0 H LEU B 53 29.442 14.635 -42.642 1.00 0.00 H new ATOM 0 HA LEU B 53 31.355 16.951 -42.481 1.00 0.00 H new ATOM 0 HB2 LEU B 53 29.845 15.518 -40.358 1.00 0.00 H new ATOM 0 HB3 LEU B 53 30.827 16.960 -40.197 1.00 0.00 H new ATOM 0 HG LEU B 53 28.581 16.787 -42.109 1.00 0.00 H new ATOM 0 HD11 LEU B 53 27.192 17.949 -40.216 1.00 0.00 H new ATOM 0 HD12 LEU B 53 27.733 16.329 -39.716 1.00 0.00 H new ATOM 0 HD13 LEU B 53 28.603 17.774 -39.146 1.00 0.00 H new ATOM 0 HD21 LEU B 53 28.340 19.263 -41.731 1.00 0.00 H new ATOM 0 HD22 LEU B 53 29.734 19.207 -40.626 1.00 0.00 H new ATOM 0 HD23 LEU B 53 29.951 18.833 -42.352 1.00 0.00 H new ATOM 1045 N SER B 54 33.330 15.726 -41.559 1.00 0.00 N ATOM 1046 CA SER B 54 34.312 14.952 -40.849 1.00 0.00 C ATOM 1047 C SER B 54 33.994 14.884 -39.387 1.00 0.00 C ATOM 1048 O SER B 54 33.724 15.945 -38.737 1.00 0.00 O ATOM 1049 CB SER B 54 35.713 15.616 -40.937 1.00 0.00 C ATOM 1050 OG SER B 54 36.683 15.051 -40.099 1.00 0.00 O ATOM 0 H SER B 54 33.597 16.674 -41.824 1.00 0.00 H new ATOM 0 HA SER B 54 34.305 13.963 -41.307 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.064 15.557 -41.967 1.00 0.00 H new ATOM 0 HB3 SER B 54 35.614 16.674 -40.694 1.00 0.00 H new ATOM 0 HG SER B 54 37.533 15.525 -40.217 1.00 0.00 H new ATOM 1056 N MET B 55 34.070 13.703 -38.825 1.00 0.00 N ATOM 1057 CA MET B 55 33.567 13.569 -37.457 1.00 0.00 C ATOM 1058 C MET B 55 34.413 14.306 -36.391 1.00 0.00 C ATOM 1059 O MET B 55 33.872 14.729 -35.362 1.00 0.00 O ATOM 1060 CB MET B 55 33.350 12.127 -37.133 1.00 0.00 C ATOM 1061 CG MET B 55 32.381 11.945 -35.937 1.00 0.00 C ATOM 1062 SD MET B 55 32.529 10.320 -35.151 1.00 0.00 S ATOM 1063 CE MET B 55 33.941 10.480 -34.126 1.00 0.00 C ATOM 0 H MET B 55 34.450 12.858 -39.252 1.00 0.00 H new ATOM 0 HA MET B 55 32.606 14.082 -37.420 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.949 11.615 -38.007 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.306 11.659 -36.900 1.00 0.00 H new ATOM 0 HG2 MET B 55 32.576 12.720 -35.196 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.356 12.084 -36.282 1.00 0.00 H new ATOM 0 HE1 MET B 55 34.118 9.541 -33.601 1.00 0.00 H new ATOM 0 HE2 MET B 55 34.809 10.723 -34.738 1.00 0.00 H new ATOM 0 HE3 MET B 55 33.775 11.276 -33.400 1.00 0.00 H new ATOM 1073 N ARG B 56 35.732 14.364 -36.665 1.00 0.00 N ATOM 1074 CA ARG B 56 36.627 15.135 -35.790 1.00 0.00 C ATOM 1075 C ARG B 56 36.106 16.585 -35.561 1.00 0.00 C ATOM 1076 O ARG B 56 36.418 17.206 -34.513 1.00 0.00 O ATOM 1077 CB ARG B 56 38.034 15.100 -36.439 1.00 0.00 C ATOM 1078 CG ARG B 56 39.183 15.200 -35.436 1.00 0.00 C ATOM 1079 CD ARG B 56 40.462 14.707 -36.188 1.00 0.00 C ATOM 1080 NE ARG B 56 40.561 13.314 -36.212 1.00 0.00 N ATOM 1081 CZ ARG B 56 41.346 12.567 -37.005 1.00 0.00 C ATOM 1082 NH1 ARG B 56 42.234 13.141 -37.782 1.00 0.00 N ATOM 1083 NH2 ARG B 56 41.373 11.254 -36.992 1.00 0.00 N ATOM 0 H ARG B 56 36.185 13.904 -37.455 1.00 0.00 H new ATOM 0 HA ARG B 56 36.668 14.694 -34.794 1.00 0.00 H new ATOM 0 HB2 ARG B 56 38.139 14.175 -37.005 1.00 0.00 H new ATOM 0 HB3 ARG B 56 38.115 15.921 -37.152 1.00 0.00 H new ATOM 0 HG2 ARG B 56 39.307 16.225 -35.087 1.00 0.00 H new ATOM 0 HG3 ARG B 56 38.987 14.586 -34.557 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.448 15.085 -37.210 1.00 0.00 H new ATOM 0 HD3 ARG B 56 41.347 15.123 -35.706 1.00 0.00 H new ATOM 0 HE ARG B 56 39.970 12.807 -35.553 1.00 0.00 H new ATOM 0 HH11 ARG B 56 42.329 14.157 -37.784 1.00 0.00 H new ATOM 0 HH12 ARG B 56 42.829 12.572 -38.384 1.00 0.00 H new ATOM 0 HH21 ARG B 56 40.771 10.738 -36.350 1.00 0.00 H new ATOM 0 HH22 ARG B 56 41.996 10.750 -37.624 1.00 0.00 H new ATOM 1097 N GLN B 57 35.453 17.201 -36.523 1.00 0.00 N ATOM 1098 CA GLN B 57 35.190 18.733 -36.463 1.00 0.00 C ATOM 1099 C GLN B 57 33.919 19.023 -35.616 1.00 0.00 C ATOM 1100 O GLN B 57 33.703 20.187 -35.262 1.00 0.00 O ATOM 1101 CB GLN B 57 35.174 19.296 -37.897 1.00 0.00 C ATOM 1102 CG GLN B 57 33.823 19.171 -38.656 1.00 0.00 C ATOM 1103 CD GLN B 57 33.926 18.953 -40.255 1.00 0.00 C ATOM 1104 OE1 GLN B 57 33.020 18.404 -40.838 1.00 0.00 O ATOM 1105 NE2 GLN B 57 34.917 19.415 -40.962 1.00 0.00 N ATOM 0 H GLN B 57 35.082 16.738 -37.353 1.00 0.00 H new ATOM 0 HA GLN B 57 35.992 19.260 -35.946 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.451 20.349 -37.857 1.00 0.00 H new ATOM 0 HB3 GLN B 57 35.944 18.786 -38.476 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.266 18.336 -38.231 1.00 0.00 H new ATOM 0 HG3 GLN B 57 33.239 20.072 -38.469 1.00 0.00 H new ATOM 0 HE21 GLN B 57 35.697 19.884 -40.501 1.00 0.00 H new ATOM 0 HE22 GLN B 57 34.913 19.308 -41.976 1.00 0.00 H new ATOM 1114 N ILE B 58 33.038 18.058 -35.254 1.00 0.00 N ATOM 1115 CA ILE B 58 31.930 18.203 -34.366 1.00 0.00 C ATOM 1116 C ILE B 58 32.127 17.447 -32.987 1.00 0.00 C ATOM 1117 O ILE B 58 33.085 16.735 -32.818 1.00 0.00 O ATOM 1118 CB ILE B 58 30.561 17.711 -35.082 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.738 16.356 -35.816 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.044 18.879 -35.952 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.394 15.740 -36.295 1.00 0.00 C ATOM 0 H ILE B 58 33.115 17.107 -35.616 1.00 0.00 H new ATOM 0 HA ILE B 58 31.862 19.266 -34.133 1.00 0.00 H new ATOM 0 HB ILE B 58 29.790 17.481 -34.347 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.392 16.499 -36.676 1.00 0.00 H new ATOM 0 HG13 ILE B 58 31.236 15.652 -35.150 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.121 18.581 -36.450 1.00 0.00 H new ATOM 0 HG22 ILE B 58 29.852 19.746 -35.320 1.00 0.00 H new ATOM 0 HG23 ILE B 58 30.794 19.135 -36.701 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.587 14.794 -36.800 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.746 15.567 -35.436 1.00 0.00 H new ATOM 0 HD13 ILE B 58 28.905 16.427 -36.985 1.00 0.00 H new ATOM 1133 N ARG B 59 31.153 17.621 -32.078 1.00 0.00 N ATOM 1134 CA ARG B 59 30.991 16.978 -30.787 1.00 0.00 C ATOM 1135 C ARG B 59 29.503 16.853 -30.577 1.00 0.00 C ATOM 1136 O ARG B 59 28.733 17.638 -31.181 1.00 0.00 O ATOM 1137 CB ARG B 59 31.522 17.816 -29.643 1.00 0.00 C ATOM 1138 CG ARG B 59 32.995 18.109 -29.666 1.00 0.00 C ATOM 1139 CD ARG B 59 33.952 16.918 -29.715 1.00 0.00 C ATOM 1140 NE ARG B 59 35.368 17.353 -29.731 1.00 0.00 N ATOM 1141 CZ ARG B 59 36.125 17.697 -30.725 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.738 17.643 -31.935 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.337 18.055 -30.571 1.00 0.00 N ATOM 0 H ARG B 59 30.394 18.279 -32.257 1.00 0.00 H new ATOM 0 HA ARG B 59 31.534 16.033 -30.792 1.00 0.00 H new ATOM 0 HB2 ARG B 59 30.984 18.764 -29.634 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.288 17.307 -28.708 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.199 18.740 -30.531 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.235 18.697 -28.780 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.778 16.276 -28.851 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.745 16.321 -30.603 1.00 0.00 H new ATOM 0 HE ARG B 59 35.818 17.387 -28.816 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.796 17.318 -32.155 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.369 17.924 -32.685 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.747 18.079 -29.637 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.898 18.318 -31.381 1.00 0.00 H new ATOM 1157 N PHE B 60 29.180 15.903 -29.762 1.00 0.00 N ATOM 1158 CA PHE B 60 27.786 15.492 -29.533 1.00 0.00 C ATOM 1159 C PHE B 60 27.641 15.730 -28.022 1.00 0.00 C ATOM 1160 O PHE B 60 28.541 15.309 -27.283 1.00 0.00 O ATOM 1161 CB PHE B 60 27.627 14.032 -30.087 1.00 0.00 C ATOM 1162 CG PHE B 60 27.767 13.888 -31.584 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.979 13.775 -32.189 1.00 0.00 C ATOM 1164 CD2 PHE B 60 26.624 13.939 -32.386 1.00 0.00 C ATOM 1165 CE1 PHE B 60 29.110 13.515 -33.539 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.676 13.790 -33.801 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.956 13.552 -34.338 1.00 0.00 C ATOM 0 H PHE B 60 29.862 15.371 -29.221 1.00 0.00 H new ATOM 0 HA PHE B 60 26.981 16.023 -30.041 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.371 13.396 -29.607 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.648 13.655 -29.793 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.872 13.893 -31.593 1.00 0.00 H new ATOM 0 HD2 PHE B 60 25.665 14.097 -31.915 1.00 0.00 H new ATOM 0 HE1 PHE B 60 30.075 13.289 -33.969 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.794 13.855 -34.420 1.00 0.00 H new ATOM 0 HZ PHE B 60 28.053 13.392 -35.402 1.00 0.00 H new ATOM 1177 N ARG B 61 26.427 16.259 -27.666 1.00 0.00 N ATOM 1178 CA ARG B 61 26.093 16.379 -26.224 1.00 0.00 C ATOM 1179 C ARG B 61 24.755 15.675 -25.994 1.00 0.00 C ATOM 1180 O ARG B 61 23.825 15.696 -26.818 1.00 0.00 O ATOM 1181 CB ARG B 61 26.044 17.843 -25.716 1.00 0.00 C ATOM 1182 CG ARG B 61 27.393 18.578 -26.020 1.00 0.00 C ATOM 1183 CD ARG B 61 27.456 19.882 -25.259 1.00 0.00 C ATOM 1184 NE ARG B 61 28.444 20.801 -25.829 1.00 0.00 N ATOM 1185 CZ ARG B 61 28.395 22.122 -25.944 1.00 0.00 C ATOM 1186 NH1 ARG B 61 27.367 22.768 -25.614 1.00 0.00 N ATOM 1187 NH2 ARG B 61 29.416 22.642 -26.464 1.00 0.00 N ATOM 0 H ARG B 61 25.712 16.587 -28.315 1.00 0.00 H new ATOM 0 HA ARG B 61 26.889 15.908 -25.648 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.220 18.372 -26.194 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.851 17.855 -24.643 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.233 17.943 -25.739 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.480 18.768 -27.090 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.474 20.355 -25.267 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.705 19.682 -24.217 1.00 0.00 H new ATOM 0 HE ARG B 61 29.291 20.362 -26.189 1.00 0.00 H new ATOM 0 HH11 ARG B 61 26.551 22.276 -25.250 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.350 23.783 -25.710 1.00 0.00 H new ATOM 0 HH21 ARG B 61 30.195 22.053 -26.758 1.00 0.00 H new ATOM 0 HH22 ARG B 61 29.465 23.653 -26.591 1.00 0.00 H new ATOM 1201 N PHE B 62 24.585 15.221 -24.777 1.00 0.00 N ATOM 1202 CA PHE B 62 23.351 15.012 -24.172 1.00 0.00 C ATOM 1203 C PHE B 62 23.350 15.324 -22.617 1.00 0.00 C ATOM 1204 O PHE B 62 24.389 15.025 -22.034 1.00 0.00 O ATOM 1205 CB PHE B 62 22.841 13.562 -24.457 1.00 0.00 C ATOM 1206 CG PHE B 62 21.506 13.246 -23.831 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.342 13.760 -24.558 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.378 12.611 -22.595 1.00 0.00 C ATOM 1209 CE1 PHE B 62 19.069 13.571 -24.019 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.096 12.481 -22.054 1.00 0.00 C ATOM 1211 CZ PHE B 62 18.963 12.936 -22.779 1.00 0.00 C ATOM 0 H PHE B 62 25.369 14.982 -24.170 1.00 0.00 H new ATOM 0 HA PHE B 62 22.660 15.727 -24.619 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.768 13.419 -25.535 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.580 12.850 -24.091 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.468 14.278 -25.497 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.244 12.231 -22.072 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.188 13.907 -24.547 1.00 0.00 H new ATOM 0 HE2 PHE B 62 19.966 12.032 -21.080 1.00 0.00 H new ATOM 0 HZ PHE B 62 17.981 12.785 -22.355 1.00 0.00 H new ATOM 1221 N ASP B 63 22.262 15.867 -21.941 1.00 0.00 N ATOM 1222 CA ASP B 63 22.181 16.348 -20.530 1.00 0.00 C ATOM 1223 C ASP B 63 23.306 17.364 -20.179 1.00 0.00 C ATOM 1224 O ASP B 63 23.832 17.303 -19.093 1.00 0.00 O ATOM 1225 CB ASP B 63 22.110 15.128 -19.566 1.00 0.00 C ATOM 1226 CG ASP B 63 21.623 15.636 -18.193 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.026 16.714 -18.091 1.00 0.00 O ATOM 1228 OD2 ASP B 63 21.879 14.926 -17.228 1.00 0.00 O ATOM 0 H ASP B 63 21.367 15.980 -22.417 1.00 0.00 H new ATOM 0 HA ASP B 63 21.260 16.918 -20.404 1.00 0.00 H new ATOM 0 HB2 ASP B 63 21.429 14.372 -19.957 1.00 0.00 H new ATOM 0 HB3 ASP B 63 23.089 14.657 -19.473 1.00 0.00 H new ATOM 1233 N GLY B 64 23.873 18.110 -21.139 1.00 0.00 N ATOM 1234 CA GLY B 64 24.987 19.017 -21.027 1.00 0.00 C ATOM 1235 C GLY B 64 26.339 18.272 -21.254 1.00 0.00 C ATOM 1236 O GLY B 64 27.338 19.004 -21.335 1.00 0.00 O ATOM 0 H GLY B 64 23.518 18.079 -22.095 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.882 19.819 -21.758 1.00 0.00 H new ATOM 0 HA3 GLY B 64 24.985 19.482 -20.041 1.00 0.00 H new ATOM 1240 N GLN B 65 26.381 16.931 -21.292 1.00 0.00 N ATOM 1241 CA GLN B 65 27.576 16.051 -21.155 1.00 0.00 C ATOM 1242 C GLN B 65 27.948 15.161 -22.430 1.00 0.00 C ATOM 1243 O GLN B 65 27.037 14.865 -23.219 1.00 0.00 O ATOM 1244 CB GLN B 65 27.357 15.039 -20.005 1.00 0.00 C ATOM 1245 CG GLN B 65 27.077 15.691 -18.649 1.00 0.00 C ATOM 1246 CD GLN B 65 28.252 16.528 -18.205 1.00 0.00 C ATOM 1247 OE1 GLN B 65 29.288 16.025 -17.775 1.00 0.00 O ATOM 1248 NE2 GLN B 65 28.056 17.851 -18.041 1.00 0.00 N ATOM 0 H GLN B 65 25.530 16.386 -21.428 1.00 0.00 H new ATOM 0 HA GLN B 65 28.388 16.759 -20.988 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.523 14.387 -20.262 1.00 0.00 H new ATOM 0 HB3 GLN B 65 28.241 14.407 -19.917 1.00 0.00 H new ATOM 0 HG2 GLN B 65 26.185 16.314 -18.717 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.871 14.921 -17.905 1.00 0.00 H new ATOM 0 HE21 GLN B 65 27.203 18.287 -18.391 1.00 0.00 H new ATOM 0 HE22 GLN B 65 28.761 18.416 -17.567 1.00 0.00 H new ATOM 1257 N PRO B 66 29.251 14.890 -22.697 1.00 0.00 N ATOM 1258 CA PRO B 66 29.731 14.300 -23.933 1.00 0.00 C ATOM 1259 C PRO B 66 29.461 12.760 -24.081 1.00 0.00 C ATOM 1260 O PRO B 66 29.595 12.003 -23.124 1.00 0.00 O ATOM 1261 CB PRO B 66 31.212 14.524 -23.929 1.00 0.00 C ATOM 1262 CG PRO B 66 31.537 14.368 -22.451 1.00 0.00 C ATOM 1263 CD PRO B 66 30.387 15.086 -21.802 1.00 0.00 C ATOM 0 HA PRO B 66 29.200 14.764 -24.764 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.739 13.795 -24.544 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.479 15.511 -24.306 1.00 0.00 H new ATOM 0 HG2 PRO B 66 31.586 13.321 -22.152 1.00 0.00 H new ATOM 0 HG3 PRO B 66 32.496 14.818 -22.194 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.181 14.681 -20.811 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.608 16.146 -21.674 1.00 0.00 H new ATOM 1271 N ILE B 67 29.116 12.383 -25.344 1.00 0.00 N ATOM 1272 CA ILE B 67 28.653 10.977 -25.616 1.00 0.00 C ATOM 1273 C ILE B 67 29.934 10.093 -25.876 1.00 0.00 C ATOM 1274 O ILE B 67 30.822 10.493 -26.673 1.00 0.00 O ATOM 1275 CB ILE B 67 27.516 10.836 -26.730 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.367 11.757 -26.395 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.157 9.352 -26.864 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.224 11.612 -27.454 1.00 0.00 C ATOM 0 H ILE B 67 29.144 12.994 -26.160 1.00 0.00 H new ATOM 0 HA ILE B 67 28.126 10.608 -24.736 1.00 0.00 H new ATOM 0 HB ILE B 67 27.852 11.156 -27.716 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.983 11.523 -25.402 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.716 12.789 -26.367 1.00 0.00 H new ATOM 0 HG21 ILE B 67 26.381 9.232 -27.620 1.00 0.00 H new ATOM 0 HG22 ILE B 67 28.042 8.789 -27.160 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.792 8.978 -25.907 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.404 12.282 -27.198 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.608 11.869 -28.441 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.863 10.583 -27.461 1.00 0.00 H new ATOM 1290 N ASN B 68 30.015 8.954 -25.337 1.00 0.00 N ATOM 1291 CA ASN B 68 30.987 7.892 -25.652 1.00 0.00 C ATOM 1292 C ASN B 68 30.609 7.036 -26.917 1.00 0.00 C ATOM 1293 O ASN B 68 29.442 6.730 -27.200 1.00 0.00 O ATOM 1294 CB ASN B 68 31.318 7.029 -24.385 1.00 0.00 C ATOM 1295 CG ASN B 68 31.571 7.691 -23.054 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.465 8.540 -22.896 1.00 0.00 O ATOM 1297 ND2 ASN B 68 30.823 7.364 -22.045 1.00 0.00 N ATOM 0 H ASN B 68 29.371 8.672 -24.598 1.00 0.00 H new ATOM 0 HA ASN B 68 31.910 8.393 -25.944 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.492 6.332 -24.246 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.200 6.435 -24.622 1.00 0.00 H new ATOM 0 HD21 ASN B 68 30.972 7.802 -21.136 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.086 6.669 -22.161 1.00 0.00 H new ATOM 1304 N GLU B 69 31.627 6.466 -27.521 1.00 0.00 N ATOM 1305 CA GLU B 69 31.536 5.406 -28.548 1.00 0.00 C ATOM 1306 C GLU B 69 30.934 4.082 -28.078 1.00 0.00 C ATOM 1307 O GLU B 69 30.576 3.240 -28.918 1.00 0.00 O ATOM 1308 CB GLU B 69 32.992 5.189 -29.157 1.00 0.00 C ATOM 1309 CG GLU B 69 33.733 6.477 -29.616 1.00 0.00 C ATOM 1310 CD GLU B 69 34.910 6.267 -30.559 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.889 5.194 -31.199 1.00 0.00 O ATOM 1312 OE2 GLU B 69 35.748 7.189 -30.603 1.00 0.00 O ATOM 0 H GLU B 69 32.591 6.727 -27.314 1.00 0.00 H new ATOM 0 HA GLU B 69 30.829 5.753 -29.301 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.606 4.686 -28.410 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.912 4.515 -30.010 1.00 0.00 H new ATOM 0 HG2 GLU B 69 33.013 7.132 -30.106 1.00 0.00 H new ATOM 0 HG3 GLU B 69 34.091 7.002 -28.730 1.00 0.00 H new ATOM 1319 N THR B 70 30.724 3.936 -26.794 1.00 0.00 N ATOM 1320 CA THR B 70 29.941 2.761 -26.222 1.00 0.00 C ATOM 1321 C THR B 70 28.535 3.034 -25.693 1.00 0.00 C ATOM 1322 O THR B 70 27.825 2.064 -25.379 1.00 0.00 O ATOM 1323 CB THR B 70 30.796 2.142 -25.023 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.218 2.961 -24.005 1.00 0.00 O ATOM 1325 CG2 THR B 70 31.964 1.379 -25.576 1.00 0.00 C ATOM 0 H THR B 70 31.065 4.590 -26.089 1.00 0.00 H new ATOM 0 HA THR B 70 29.790 2.097 -27.073 1.00 0.00 H new ATOM 0 HB THR B 70 30.064 1.510 -24.521 1.00 0.00 H new ATOM 0 HG1 THR B 70 31.725 2.436 -23.351 1.00 0.00 H new ATOM 0 HG21 THR B 70 32.545 0.958 -24.755 1.00 0.00 H new ATOM 0 HG22 THR B 70 31.603 0.573 -26.215 1.00 0.00 H new ATOM 0 HG23 THR B 70 32.594 2.050 -26.160 1.00 0.00 H new ATOM 1333 N ASP B 71 28.053 4.260 -25.620 1.00 0.00 N ATOM 1334 CA ASP B 71 26.863 4.537 -24.854 1.00 0.00 C ATOM 1335 C ASP B 71 25.612 3.915 -25.483 1.00 0.00 C ATOM 1336 O ASP B 71 25.328 4.103 -26.662 1.00 0.00 O ATOM 1337 CB ASP B 71 26.778 6.024 -24.598 1.00 0.00 C ATOM 1338 CG ASP B 71 27.832 6.539 -23.573 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.421 5.769 -22.756 1.00 0.00 O ATOM 1340 OD2 ASP B 71 27.904 7.766 -23.387 1.00 0.00 O ATOM 0 H ASP B 71 28.467 5.071 -26.080 1.00 0.00 H new ATOM 0 HA ASP B 71 26.923 4.051 -23.880 1.00 0.00 H new ATOM 0 HB2 ASP B 71 26.910 6.555 -25.541 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.780 6.265 -24.233 1.00 0.00 H new ATOM 1345 N THR B 72 24.881 3.244 -24.690 1.00 0.00 N ATOM 1346 CA THR B 72 23.525 2.825 -24.925 1.00 0.00 C ATOM 1347 C THR B 72 22.528 3.681 -24.275 1.00 0.00 C ATOM 1348 O THR B 72 22.817 4.224 -23.185 1.00 0.00 O ATOM 1349 CB THR B 72 23.211 1.349 -24.656 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.131 1.048 -23.311 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.235 0.433 -25.365 1.00 0.00 C ATOM 0 H THR B 72 25.225 2.938 -23.780 1.00 0.00 H new ATOM 0 HA THR B 72 23.445 2.946 -26.005 1.00 0.00 H new ATOM 0 HB THR B 72 22.221 1.163 -25.072 1.00 0.00 H new ATOM 0 HG1 THR B 72 22.927 0.096 -23.200 1.00 0.00 H new ATOM 0 HG21 THR B 72 23.993 -0.610 -25.160 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.198 0.610 -26.440 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.237 0.652 -24.995 1.00 0.00 H new ATOM 1359 N PRO B 73 21.257 3.743 -24.855 1.00 0.00 N ATOM 1360 CA PRO B 73 20.125 4.407 -24.238 1.00 0.00 C ATOM 1361 C PRO B 73 19.826 3.796 -22.905 1.00 0.00 C ATOM 1362 O PRO B 73 19.348 4.592 -22.034 1.00 0.00 O ATOM 1363 CB PRO B 73 18.904 4.361 -25.191 1.00 0.00 C ATOM 1364 CG PRO B 73 19.492 3.955 -26.529 1.00 0.00 C ATOM 1365 CD PRO B 73 20.813 3.383 -26.201 1.00 0.00 C ATOM 0 HA PRO B 73 20.367 5.455 -24.063 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.159 3.643 -24.849 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.409 5.330 -25.251 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.859 3.225 -27.034 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.586 4.812 -27.196 1.00 0.00 H new ATOM 0 HD2 PRO B 73 20.768 2.297 -26.288 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.547 3.730 -26.928 1.00 0.00 H new ATOM 1373 N ALA B 74 20.050 2.520 -22.532 1.00 0.00 N ATOM 1374 CA ALA B 74 20.004 1.938 -21.141 1.00 0.00 C ATOM 1375 C ALA B 74 20.996 2.649 -20.252 1.00 0.00 C ATOM 1376 O ALA B 74 20.589 3.229 -19.212 1.00 0.00 O ATOM 1377 CB ALA B 74 20.268 0.453 -21.252 1.00 0.00 C ATOM 0 H ALA B 74 20.284 1.809 -23.225 1.00 0.00 H new ATOM 0 HA ALA B 74 19.027 2.080 -20.680 1.00 0.00 H new ATOM 0 HB1 ALA B 74 20.241 0.003 -20.259 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.504 -0.006 -21.879 1.00 0.00 H new ATOM 0 HB3 ALA B 74 21.249 0.290 -21.697 1.00 0.00 H new ATOM 1383 N GLN B 75 22.241 2.777 -20.654 1.00 0.00 N ATOM 1384 CA GLN B 75 23.337 3.265 -19.811 1.00 0.00 C ATOM 1385 C GLN B 75 23.165 4.775 -19.423 1.00 0.00 C ATOM 1386 O GLN B 75 23.375 5.150 -18.267 1.00 0.00 O ATOM 1387 CB GLN B 75 24.655 2.933 -20.623 1.00 0.00 C ATOM 1388 CG GLN B 75 26.088 3.097 -19.938 1.00 0.00 C ATOM 1389 CD GLN B 75 26.226 2.375 -18.612 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.816 1.213 -18.483 1.00 0.00 O ATOM 1391 NE2 GLN B 75 26.550 3.044 -17.583 1.00 0.00 N ATOM 0 H GLN B 75 22.539 2.541 -21.601 1.00 0.00 H new ATOM 0 HA GLN B 75 23.366 2.778 -18.836 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.575 1.899 -20.959 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.650 3.559 -21.515 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.851 2.726 -20.623 1.00 0.00 H new ATOM 0 HG3 GLN B 75 26.286 4.158 -19.784 1.00 0.00 H new ATOM 0 HE21 GLN B 75 26.888 4.001 -17.683 1.00 0.00 H new ATOM 0 HE22 GLN B 75 26.472 2.624 -16.657 1.00 0.00 H new ATOM 1400 N LEU B 76 22.590 5.611 -20.286 1.00 0.00 N ATOM 1401 CA LEU B 76 22.298 7.077 -20.058 1.00 0.00 C ATOM 1402 C LEU B 76 20.949 7.277 -19.394 1.00 0.00 C ATOM 1403 O LEU B 76 20.715 8.299 -18.836 1.00 0.00 O ATOM 1404 CB LEU B 76 22.425 7.863 -21.369 1.00 0.00 C ATOM 1405 CG LEU B 76 23.831 8.090 -21.781 1.00 0.00 C ATOM 1406 CD1 LEU B 76 23.862 8.876 -23.160 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.464 8.997 -20.741 1.00 0.00 C ATOM 0 H LEU B 76 22.292 5.300 -21.210 1.00 0.00 H new ATOM 0 HA LEU B 76 23.044 7.472 -19.368 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.904 7.324 -22.160 1.00 0.00 H new ATOM 0 HB3 LEU B 76 21.926 8.826 -21.258 1.00 0.00 H new ATOM 0 HG LEU B 76 24.351 7.137 -21.877 1.00 0.00 H new ATOM 0 HD11 LEU B 76 24.896 9.042 -23.461 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.351 8.290 -23.924 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.360 9.836 -23.043 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.503 9.188 -21.009 1.00 0.00 H new ATOM 0 HD22 LEU B 76 23.920 9.941 -20.701 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.424 8.514 -19.765 1.00 0.00 H new ATOM 1419 N GLU B 77 20.183 6.140 -19.257 1.00 0.00 N ATOM 1420 CA GLU B 77 18.822 5.956 -18.696 1.00 0.00 C ATOM 1421 C GLU B 77 17.815 6.825 -19.478 1.00 0.00 C ATOM 1422 O GLU B 77 16.797 7.337 -18.958 1.00 0.00 O ATOM 1423 CB GLU B 77 18.824 6.320 -17.201 1.00 0.00 C ATOM 1424 CG GLU B 77 19.570 5.351 -16.292 1.00 0.00 C ATOM 1425 CD GLU B 77 18.787 4.036 -15.942 1.00 0.00 C ATOM 1426 OE1 GLU B 77 18.192 3.393 -16.820 1.00 0.00 O ATOM 1427 OE2 GLU B 77 18.859 3.625 -14.758 1.00 0.00 O ATOM 0 H GLU B 77 20.556 5.245 -19.574 1.00 0.00 H new ATOM 0 HA GLU B 77 18.522 4.913 -18.794 1.00 0.00 H new ATOM 0 HB2 GLU B 77 19.264 7.311 -17.087 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.791 6.389 -16.860 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.511 5.080 -16.770 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.820 5.865 -15.364 1.00 0.00 H new ATOM 1434 N MET B 78 17.970 6.999 -20.805 1.00 0.00 N ATOM 1435 CA MET B 78 17.190 7.808 -21.688 1.00 0.00 C ATOM 1436 C MET B 78 15.727 7.292 -21.727 1.00 0.00 C ATOM 1437 O MET B 78 15.477 6.076 -21.801 1.00 0.00 O ATOM 1438 CB MET B 78 17.789 7.585 -23.115 1.00 0.00 C ATOM 1439 CG MET B 78 19.230 8.100 -23.199 1.00 0.00 C ATOM 1440 SD MET B 78 19.860 8.406 -24.887 1.00 0.00 S ATOM 1441 CE MET B 78 19.205 10.029 -25.216 1.00 0.00 C ATOM 0 H MET B 78 18.720 6.522 -21.306 1.00 0.00 H new ATOM 0 HA MET B 78 17.204 8.850 -21.368 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.765 6.523 -23.360 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.173 8.097 -23.855 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.299 9.027 -22.631 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.884 7.378 -22.711 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.091 10.164 -26.292 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.234 10.134 -24.732 1.00 0.00 H new ATOM 0 HE3 MET B 78 19.888 10.783 -24.826 1.00 0.00 H new ATOM 1451 N GLU B 79 14.747 8.195 -21.885 1.00 0.00 N ATOM 1452 CA GLU B 79 13.339 7.777 -22.202 1.00 0.00 C ATOM 1453 C GLU B 79 13.067 8.061 -23.645 1.00 0.00 C ATOM 1454 O GLU B 79 13.814 8.743 -24.352 1.00 0.00 O ATOM 1455 CB GLU B 79 12.373 8.525 -21.295 1.00 0.00 C ATOM 1456 CG GLU B 79 12.623 8.249 -19.771 1.00 0.00 C ATOM 1457 CD GLU B 79 12.157 6.846 -19.248 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.100 6.301 -19.657 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.955 6.229 -18.546 1.00 0.00 O ATOM 0 H GLU B 79 14.881 9.203 -21.804 1.00 0.00 H new ATOM 0 HA GLU B 79 13.205 6.710 -22.027 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.461 9.595 -21.484 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.352 8.240 -21.547 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.689 8.355 -19.572 1.00 0.00 H new ATOM 0 HG3 GLU B 79 12.113 9.019 -19.193 1.00 0.00 H new ATOM 1466 N ASP B 80 11.932 7.529 -24.109 1.00 0.00 N ATOM 1467 CA ASP B 80 11.371 7.818 -25.440 1.00 0.00 C ATOM 1468 C ASP B 80 10.947 9.236 -25.699 1.00 0.00 C ATOM 1469 O ASP B 80 10.461 9.793 -24.723 1.00 0.00 O ATOM 1470 CB ASP B 80 10.163 6.829 -25.643 1.00 0.00 C ATOM 1471 CG ASP B 80 9.837 6.533 -27.079 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.375 7.244 -27.966 1.00 0.00 O ATOM 1473 OD2 ASP B 80 8.969 5.693 -27.365 1.00 0.00 O ATOM 0 H ASP B 80 11.367 6.876 -23.566 1.00 0.00 H new ATOM 0 HA ASP B 80 12.174 7.675 -26.163 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.387 5.892 -25.134 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.280 7.250 -25.162 1.00 0.00 H new ATOM 1478 N GLU B 81 11.209 9.746 -26.848 1.00 0.00 N ATOM 1479 CA GLU B 81 11.073 11.203 -27.198 1.00 0.00 C ATOM 1480 C GLU B 81 12.146 12.218 -26.664 1.00 0.00 C ATOM 1481 O GLU B 81 12.109 13.408 -27.100 1.00 0.00 O ATOM 1482 CB GLU B 81 9.629 11.839 -27.036 1.00 0.00 C ATOM 1483 CG GLU B 81 8.410 10.910 -27.426 1.00 0.00 C ATOM 1484 CD GLU B 81 7.422 11.597 -28.364 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.471 11.592 -29.617 1.00 0.00 O ATOM 1486 OE2 GLU B 81 6.463 12.119 -27.802 1.00 0.00 O ATOM 0 H GLU B 81 11.539 9.181 -27.631 1.00 0.00 H new ATOM 0 HA GLU B 81 11.288 11.079 -28.259 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.505 12.149 -25.998 1.00 0.00 H new ATOM 0 HB3 GLU B 81 9.581 12.741 -27.646 1.00 0.00 H new ATOM 0 HG2 GLU B 81 8.786 10.004 -27.902 1.00 0.00 H new ATOM 0 HG3 GLU B 81 7.889 10.601 -26.520 1.00 0.00 H new ATOM 1493 N ASP B 82 13.085 11.790 -25.853 1.00 0.00 N ATOM 1494 CA ASP B 82 14.283 12.575 -25.493 1.00 0.00 C ATOM 1495 C ASP B 82 15.212 12.827 -26.714 1.00 0.00 C ATOM 1496 O ASP B 82 15.192 12.104 -27.725 1.00 0.00 O ATOM 1497 CB ASP B 82 15.115 11.866 -24.461 1.00 0.00 C ATOM 1498 CG ASP B 82 14.337 11.679 -23.129 1.00 0.00 C ATOM 1499 OD1 ASP B 82 13.240 12.182 -22.851 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.005 11.264 -22.137 1.00 0.00 O ATOM 0 H ASP B 82 13.054 10.873 -25.408 1.00 0.00 H new ATOM 0 HA ASP B 82 13.901 13.520 -25.108 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.420 10.892 -24.845 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.026 12.434 -24.274 1.00 0.00 H new ATOM 1505 N THR B 83 15.951 13.925 -26.626 1.00 0.00 N ATOM 1506 CA THR B 83 16.617 14.586 -27.809 1.00 0.00 C ATOM 1507 C THR B 83 18.160 14.946 -27.636 1.00 0.00 C ATOM 1508 O THR B 83 18.544 15.629 -26.738 1.00 0.00 O ATOM 1509 CB THR B 83 15.851 15.888 -28.144 1.00 0.00 C ATOM 1510 OG1 THR B 83 14.474 15.520 -28.174 1.00 0.00 O ATOM 1511 CG2 THR B 83 16.259 16.559 -29.449 1.00 0.00 C ATOM 0 H THR B 83 16.124 14.406 -25.743 1.00 0.00 H new ATOM 0 HA THR B 83 16.579 13.843 -28.606 1.00 0.00 H new ATOM 0 HB THR B 83 16.083 16.640 -27.390 1.00 0.00 H new ATOM 0 HG1 THR B 83 13.929 16.308 -28.381 1.00 0.00 H new ATOM 0 HG21 THR B 83 15.666 17.462 -29.595 1.00 0.00 H new ATOM 0 HG22 THR B 83 17.316 16.822 -29.408 1.00 0.00 H new ATOM 0 HG23 THR B 83 16.087 15.874 -30.279 1.00 0.00 H new ATOM 1519 N ILE B 84 18.966 14.551 -28.566 1.00 0.00 N ATOM 1520 CA ILE B 84 20.388 14.516 -28.670 1.00 0.00 C ATOM 1521 C ILE B 84 20.819 15.735 -29.508 1.00 0.00 C ATOM 1522 O ILE B 84 20.199 16.027 -30.547 1.00 0.00 O ATOM 1523 CB ILE B 84 20.930 13.191 -29.294 1.00 0.00 C ATOM 1524 CG1 ILE B 84 20.669 12.089 -28.251 1.00 0.00 C ATOM 1525 CG2 ILE B 84 22.344 13.230 -29.887 1.00 0.00 C ATOM 1526 CD1 ILE B 84 20.712 10.665 -28.794 1.00 0.00 C ATOM 0 H ILE B 84 18.561 14.178 -29.425 1.00 0.00 H new ATOM 0 HA ILE B 84 20.814 14.554 -27.668 1.00 0.00 H new ATOM 0 HB ILE B 84 20.389 12.980 -30.216 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.408 12.181 -27.455 1.00 0.00 H new ATOM 0 HG13 ILE B 84 19.692 12.261 -27.800 1.00 0.00 H new ATOM 0 HG21 ILE B 84 22.598 12.248 -30.286 1.00 0.00 H new ATOM 0 HG22 ILE B 84 22.382 13.969 -30.688 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.058 13.501 -29.109 1.00 0.00 H new ATOM 0 HD11 ILE B 84 20.517 9.961 -27.985 1.00 0.00 H new ATOM 0 HD12 ILE B 84 19.954 10.548 -29.568 1.00 0.00 H new ATOM 0 HD13 ILE B 84 21.697 10.467 -29.218 1.00 0.00 H new ATOM 1538 N ASP B 85 21.922 16.386 -29.171 1.00 0.00 N ATOM 1539 CA ASP B 85 22.323 17.614 -29.929 1.00 0.00 C ATOM 1540 C ASP B 85 23.728 17.524 -30.629 1.00 0.00 C ATOM 1541 O ASP B 85 24.595 16.800 -30.128 1.00 0.00 O ATOM 1542 CB ASP B 85 22.393 18.817 -28.979 1.00 0.00 C ATOM 1543 CG ASP B 85 21.081 19.138 -28.291 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.003 18.975 -28.849 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.199 19.642 -27.159 1.00 0.00 O ATOM 0 H ASP B 85 22.549 16.118 -28.413 1.00 0.00 H new ATOM 0 HA ASP B 85 21.561 17.720 -30.701 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.151 18.624 -28.220 1.00 0.00 H new ATOM 0 HB3 ASP B 85 22.720 19.692 -29.541 1.00 0.00 H new ATOM 1550 N VAL B 86 23.975 18.320 -31.689 1.00 0.00 N ATOM 1551 CA VAL B 86 25.215 18.332 -32.401 1.00 0.00 C ATOM 1552 C VAL B 86 25.831 19.685 -32.447 1.00 0.00 C ATOM 1553 O VAL B 86 25.136 20.635 -32.695 1.00 0.00 O ATOM 1554 CB VAL B 86 25.109 17.743 -33.829 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.524 17.393 -34.374 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.366 16.352 -33.813 1.00 0.00 C ATOM 0 H VAL B 86 23.288 18.976 -32.061 1.00 0.00 H new ATOM 0 HA VAL B 86 25.871 17.677 -31.828 1.00 0.00 H new ATOM 0 HB VAL B 86 24.588 18.490 -34.428 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.435 16.980 -35.379 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.135 18.295 -34.405 1.00 0.00 H new ATOM 0 HG13 VAL B 86 26.994 16.659 -33.720 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.305 15.960 -34.828 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.918 15.652 -33.186 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.360 16.481 -33.413 1.00 0.00 H new ATOM 1566 N PHE B 87 27.157 19.783 -32.286 1.00 0.00 N ATOM 1567 CA PHE B 87 27.880 21.069 -32.048 1.00 0.00 C ATOM 1568 C PHE B 87 29.248 21.124 -32.790 1.00 0.00 C ATOM 1569 O PHE B 87 30.018 20.107 -32.631 1.00 0.00 O ATOM 1570 CB PHE B 87 28.150 21.318 -30.521 1.00 0.00 C ATOM 1571 CG PHE B 87 27.000 21.853 -29.665 1.00 0.00 C ATOM 1572 CD1 PHE B 87 25.920 20.976 -29.338 1.00 0.00 C ATOM 1573 CD2 PHE B 87 26.993 23.130 -29.143 1.00 0.00 C ATOM 1574 CE1 PHE B 87 24.913 21.471 -28.480 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.914 23.648 -28.397 1.00 0.00 C ATOM 1576 CZ PHE B 87 24.886 22.780 -28.051 1.00 0.00 C ATOM 0 H PHE B 87 27.776 18.973 -32.315 1.00 0.00 H new ATOM 0 HA PHE B 87 27.221 21.844 -32.439 1.00 0.00 H new ATOM 0 HB2 PHE B 87 28.482 20.377 -30.083 1.00 0.00 H new ATOM 0 HB3 PHE B 87 28.981 22.019 -30.439 1.00 0.00 H new ATOM 0 HD1 PHE B 87 25.875 19.972 -29.732 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.852 23.761 -29.313 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.136 20.799 -28.148 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.888 24.687 -28.104 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.064 23.132 -27.445 1.00 0.00 H new ATOM 1586 N GLN B 88 29.421 22.147 -33.605 1.00 0.00 N ATOM 1587 CA GLN B 88 30.666 22.575 -34.261 1.00 0.00 C ATOM 1588 C GLN B 88 31.747 23.146 -33.411 1.00 0.00 C ATOM 1589 O GLN B 88 31.503 23.403 -32.218 1.00 0.00 O ATOM 1590 CB GLN B 88 30.342 23.620 -35.356 1.00 0.00 C ATOM 1591 CG GLN B 88 29.477 23.092 -36.490 1.00 0.00 C ATOM 1592 CD GLN B 88 30.093 22.012 -37.408 1.00 0.00 C ATOM 1593 OE1 GLN B 88 31.149 21.489 -37.135 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.619 21.848 -38.620 1.00 0.00 N ATOM 0 H GLN B 88 28.640 22.755 -33.852 1.00 0.00 H new ATOM 0 HA GLN B 88 31.069 21.636 -34.640 1.00 0.00 H new ATOM 0 HB2 GLN B 88 29.837 24.468 -34.894 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.277 23.994 -35.772 1.00 0.00 H new ATOM 0 HG2 GLN B 88 28.564 22.685 -36.056 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.185 23.937 -37.113 1.00 0.00 H new ATOM 0 HE21 GLN B 88 28.731 22.276 -38.883 1.00 0.00 H new ATOM 0 HE22 GLN B 88 30.138 21.293 -39.300 1.00 0.00 H new ATOM 1603 N GLN B 89 32.999 23.251 -33.872 1.00 0.00 N ATOM 1604 CA GLN B 89 34.196 23.614 -33.019 1.00 0.00 C ATOM 1605 C GLN B 89 35.212 24.573 -33.610 1.00 0.00 C ATOM 1606 O GLN B 89 35.745 24.362 -34.671 1.00 0.00 O ATOM 1607 CB GLN B 89 34.906 22.273 -32.559 1.00 0.00 C ATOM 1608 CG GLN B 89 33.983 21.332 -31.698 1.00 0.00 C ATOM 1609 CD GLN B 89 33.839 21.844 -30.320 1.00 0.00 C ATOM 1610 OE1 GLN B 89 34.780 21.836 -29.518 1.00 0.00 O ATOM 1611 NE2 GLN B 89 32.650 22.214 -29.886 1.00 0.00 N ATOM 0 H GLN B 89 33.239 23.090 -34.850 1.00 0.00 H new ATOM 0 HA GLN B 89 33.785 24.184 -32.186 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.242 21.729 -33.442 1.00 0.00 H new ATOM 0 HB3 GLN B 89 35.795 22.523 -31.981 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.001 21.254 -32.165 1.00 0.00 H new ATOM 0 HG3 GLN B 89 34.405 20.327 -31.674 1.00 0.00 H new ATOM 0 HE21 GLN B 89 31.856 22.230 -30.526 1.00 0.00 H new ATOM 0 HE22 GLN B 89 32.525 22.484 -28.910 1.00 0.00 H new ATOM 1620 N GLN B 90 35.388 25.696 -32.972 1.00 0.00 N ATOM 1621 CA GLN B 90 35.977 26.920 -33.570 1.00 0.00 C ATOM 1622 C GLN B 90 37.512 26.930 -33.249 1.00 0.00 C ATOM 1623 O GLN B 90 38.054 27.918 -32.814 1.00 0.00 O ATOM 1624 CB GLN B 90 35.198 28.046 -32.981 1.00 0.00 C ATOM 1625 CG GLN B 90 33.764 28.078 -33.485 1.00 0.00 C ATOM 1626 CD GLN B 90 32.685 27.059 -33.000 1.00 0.00 C ATOM 1627 OE1 GLN B 90 32.635 26.708 -31.832 1.00 0.00 O ATOM 1628 NE2 GLN B 90 31.701 26.722 -33.867 1.00 0.00 N ATOM 0 H GLN B 90 35.127 25.816 -31.993 1.00 0.00 H new ATOM 0 HA GLN B 90 35.913 26.988 -34.656 1.00 0.00 H new ATOM 0 HB2 GLN B 90 35.198 27.956 -31.895 1.00 0.00 H new ATOM 0 HB3 GLN B 90 35.687 28.990 -33.223 1.00 0.00 H new ATOM 0 HG2 GLN B 90 33.377 29.072 -33.263 1.00 0.00 H new ATOM 0 HG3 GLN B 90 33.812 27.989 -34.570 1.00 0.00 H new ATOM 0 HE21 GLN B 90 31.754 27.021 -34.841 1.00 0.00 H new ATOM 0 HE22 GLN B 90 30.906 26.169 -33.547 1.00 0.00 H new ATOM 1637 N THR B 91 38.198 25.854 -33.561 1.00 0.00 N ATOM 1638 CA THR B 91 39.621 25.666 -33.692 1.00 0.00 C ATOM 1639 C THR B 91 40.100 26.549 -34.892 1.00 0.00 C ATOM 1640 O THR B 91 39.419 26.770 -35.906 1.00 0.00 O ATOM 1641 CB THR B 91 39.963 24.232 -34.082 1.00 0.00 C ATOM 1642 OG1 THR B 91 39.138 23.723 -35.148 1.00 0.00 O ATOM 1643 CG2 THR B 91 39.675 23.456 -32.808 1.00 0.00 C ATOM 0 H THR B 91 37.706 24.981 -33.752 1.00 0.00 H new ATOM 0 HA THR B 91 40.088 25.917 -32.740 1.00 0.00 H new ATOM 0 HB THR B 91 40.986 24.153 -34.450 1.00 0.00 H new ATOM 0 HG1 THR B 91 39.403 22.803 -35.356 1.00 0.00 H new ATOM 0 HG21 THR B 91 39.887 22.399 -32.970 1.00 0.00 H new ATOM 0 HG22 THR B 91 40.305 23.833 -32.002 1.00 0.00 H new ATOM 0 HG23 THR B 91 38.626 23.578 -32.537 1.00 0.00 H new ATOM 1651 N GLY B 92 41.315 27.097 -34.756 1.00 0.00 N ATOM 1652 CA GLY B 92 41.876 28.082 -35.658 1.00 0.00 C ATOM 1653 C GLY B 92 41.304 29.494 -35.627 1.00 0.00 C ATOM 1654 O GLY B 92 40.414 29.827 -34.840 1.00 0.00 O ATOM 0 H GLY B 92 41.943 26.853 -33.990 1.00 0.00 H new ATOM 0 HA2 GLY B 92 42.944 28.151 -35.453 1.00 0.00 H new ATOM 0 HA3 GLY B 92 41.770 27.702 -36.674 1.00 0.00 H new ATOM 1658 N GLY B 93 41.852 30.232 -36.575 1.00 0.00 N ATOM 1659 CA GLY B 93 41.435 31.545 -36.836 1.00 0.00 C ATOM 1660 C GLY B 93 42.547 32.406 -37.549 1.00 0.00 C ATOM 1661 O GLY B 93 43.510 31.767 -38.095 1.00 0.00 O ATOM 0 H GLY B 93 42.607 29.907 -37.178 1.00 0.00 H new ATOM 0 HA2 GLY B 93 40.543 31.521 -37.462 1.00 0.00 H new ATOM 0 HA3 GLY B 93 41.154 32.026 -35.899 1.00 0.00 H new ATOM 1665 N VAL B 94 42.462 33.736 -37.545 1.00 0.00 N ATOM 1666 CA VAL B 94 43.482 34.671 -38.010 1.00 0.00 C ATOM 1667 C VAL B 94 44.327 35.228 -36.884 1.00 0.00 C ATOM 1668 O VAL B 94 44.104 36.258 -36.334 1.00 0.00 O ATOM 1669 CB VAL B 94 42.852 35.709 -38.958 1.00 0.00 C ATOM 1670 CG1 VAL B 94 43.941 36.800 -39.306 1.00 0.00 C ATOM 1671 CG2 VAL B 94 42.191 35.170 -40.168 1.00 0.00 C ATOM 0 H VAL B 94 41.632 34.215 -37.197 1.00 0.00 H new ATOM 0 HA VAL B 94 44.218 34.134 -38.608 1.00 0.00 H new ATOM 0 HB VAL B 94 42.017 36.154 -38.417 1.00 0.00 H new ATOM 0 HG11 VAL B 94 43.510 37.543 -39.977 1.00 0.00 H new ATOM 0 HG12 VAL B 94 44.273 37.288 -38.390 1.00 0.00 H new ATOM 0 HG13 VAL B 94 44.792 36.323 -39.792 1.00 0.00 H new ATOM 0 HG21 VAL B 94 41.785 35.992 -40.758 1.00 0.00 H new ATOM 0 HG22 VAL B 94 42.918 34.619 -40.765 1.00 0.00 H new ATOM 0 HG23 VAL B 94 41.382 34.501 -39.873 1.00 0.00 H new ATOM 1681 N TYR B 95 45.433 34.540 -36.449 1.00 0.00 N ATOM 1682 CA TYR B 95 46.027 34.765 -35.153 1.00 0.00 C ATOM 1683 C TYR B 95 47.500 34.988 -35.261 1.00 0.00 C ATOM 1684 O TYR B 95 48.075 34.382 -36.177 1.00 0.00 O ATOM 1685 CB TYR B 95 45.762 33.587 -34.167 1.00 0.00 C ATOM 1686 CG TYR B 95 44.309 33.359 -33.829 1.00 0.00 C ATOM 1687 CD1 TYR B 95 43.576 34.457 -33.329 1.00 0.00 C ATOM 1688 CD2 TYR B 95 43.768 32.074 -33.758 1.00 0.00 C ATOM 1689 CE1 TYR B 95 42.283 34.255 -32.878 1.00 0.00 C ATOM 1690 CE2 TYR B 95 42.469 31.864 -33.263 1.00 0.00 C ATOM 1691 CZ TYR B 95 41.698 32.960 -32.867 1.00 0.00 C ATOM 1692 OH TYR B 95 40.486 32.639 -32.284 1.00 0.00 O ATOM 1693 OXT TYR B 95 48.024 35.879 -34.616 1.00 0.00 O ATOM 0 H TYR B 95 45.908 33.829 -37.005 1.00 0.00 H new ATOM 0 HA TYR B 95 45.551 35.662 -34.756 1.00 0.00 H new ATOM 0 HB2 TYR B 95 46.168 32.672 -34.599 1.00 0.00 H new ATOM 0 HB3 TYR B 95 46.310 33.774 -33.244 1.00 0.00 H new ATOM 0 HD1 TYR B 95 44.018 35.442 -33.299 1.00 0.00 H new ATOM 0 HD2 TYR B 95 44.355 31.230 -34.088 1.00 0.00 H new ATOM 0 HE1 TYR B 95 41.707 35.099 -32.527 1.00 0.00 H new ATOM 0 HE2 TYR B 95 42.070 30.863 -33.189 1.00 0.00 H new ATOM 0 HH TYR B 95 40.304 31.685 -32.412 1.00 0.00 H new TER 1703 TYR B 95