USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0.697 USER MOD Set 1.2: A 95 THR OG1 : rot -78:sc= 0.782 USER MOD Set 2.1: A 28 THR OG1 : rot -124:sc= 1.01 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 0.889 USER MOD Single : A 4 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 160:sc= -1.71 (180deg=-1.79) USER MOD Single : A 9 THR OG1 : rot -78:sc= -3.81! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 23:sc= 0.574 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -73:sc= 0.0846 USER MOD Single : A 33 MET CE :methyl 157:sc= -2.41 (180deg=-3.25!) USER MOD Single : A 34 ASN : amide:sc= -4.88! C(o=-4.9!,f=-15!) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= -1.53 (180deg=-1.55) USER MOD Single : A 40 ASN : amide:sc= -7.05! C(o=-7.1!,f=-14!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 57 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot -59:sc= 1.03 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -39:sc= -0.669 USER MOD Single : A 68 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 69 SER OG : rot 143:sc= -2.2! USER MOD Single : A 74 THR OG1 : rot 130:sc= 0 USER MOD Single : A 78 TYR OH : rot 23:sc= -2.42 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 90 MET CE :methyl 173:sc= -2.4 (180deg=-2.59) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.43! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.166 -11.166 -3.612 1.00 0.00 N ATOM 2 CA ALA A 1 -12.853 -11.009 -3.011 1.00 0.00 C ATOM 3 C ALA A 1 -12.091 -9.903 -3.742 1.00 0.00 C ATOM 4 O ALA A 1 -11.577 -10.119 -4.839 1.00 0.00 O ATOM 5 CB ALA A 1 -12.112 -12.347 -3.044 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.687 -11.918 -3.117 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.692 -10.272 -3.535 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.061 -11.421 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.943 -10.712 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.127 -12.229 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.680 -13.091 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.001 -12.676 -4.077 1.00 0.00 H new ATOM 11 N SER A 2 -12.040 -8.742 -3.105 1.00 0.00 N ATOM 12 CA SER A 2 -11.349 -7.601 -3.682 1.00 0.00 C ATOM 13 C SER A 2 -11.400 -6.416 -2.717 1.00 0.00 C ATOM 14 O SER A 2 -12.464 -5.840 -2.489 1.00 0.00 O ATOM 15 CB SER A 2 -11.956 -7.214 -5.031 1.00 0.00 C ATOM 16 OG SER A 2 -11.513 -8.068 -6.082 1.00 0.00 O ATOM 0 H SER A 2 -12.466 -8.567 -2.195 1.00 0.00 H new ATOM 0 HA SER A 2 -10.309 -7.880 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.043 -7.256 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.690 -6.183 -5.265 1.00 0.00 H new ATOM 0 HG SER A 2 -11.302 -8.953 -5.717 1.00 0.00 H new ATOM 22 N VAL A 3 -10.237 -6.084 -2.174 1.00 0.00 N ATOM 23 CA VAL A 3 -10.137 -4.978 -1.238 1.00 0.00 C ATOM 24 C VAL A 3 -9.393 -3.818 -1.905 1.00 0.00 C ATOM 25 O VAL A 3 -8.919 -3.947 -3.033 1.00 0.00 O ATOM 26 CB VAL A 3 -9.473 -5.447 0.057 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.517 -5.949 1.057 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.421 -6.521 -0.223 1.00 0.00 C ATOM 0 H VAL A 3 -9.356 -6.562 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.129 -4.616 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.966 -4.591 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.019 -6.277 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.212 -5.143 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.065 -6.785 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.965 -6.837 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.894 -7.378 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.653 -6.115 -0.882 1.00 0.00 H new ATOM 38 N GLN A 4 -9.314 -2.713 -1.179 1.00 0.00 N ATOM 39 CA GLN A 4 -8.635 -1.532 -1.685 1.00 0.00 C ATOM 40 C GLN A 4 -7.860 -0.842 -0.561 1.00 0.00 C ATOM 41 O GLN A 4 -8.151 -1.047 0.616 1.00 0.00 O ATOM 42 CB GLN A 4 -9.628 -0.567 -2.339 1.00 0.00 C ATOM 43 CG GLN A 4 -10.861 -0.367 -1.455 1.00 0.00 C ATOM 44 CD GLN A 4 -12.062 0.090 -2.284 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.209 -0.244 -3.449 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.910 0.871 -1.623 1.00 0.00 N ATOM 0 H GLN A 4 -9.709 -2.610 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.925 -1.845 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.144 0.393 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.932 -0.956 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.101 -1.299 -0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.644 0.373 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.728 1.112 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.743 1.229 -2.090 1.00 0.00 H new ATOM 55 N ILE A 5 -6.886 -0.038 -0.964 1.00 0.00 N ATOM 56 CA ILE A 5 -6.067 0.683 -0.007 1.00 0.00 C ATOM 57 C ILE A 5 -6.090 2.176 -0.342 1.00 0.00 C ATOM 58 O ILE A 5 -5.569 2.592 -1.375 1.00 0.00 O ATOM 59 CB ILE A 5 -4.659 0.089 0.049 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.634 -1.185 0.896 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.645 1.123 0.540 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.933 -0.873 2.365 1.00 0.00 C ATOM 0 H ILE A 5 -6.647 0.129 -1.941 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.475 0.575 0.998 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.368 -0.191 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.368 -1.894 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.657 -1.662 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.652 0.673 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.637 1.976 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.922 1.458 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.909 -1.796 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.183 -0.183 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.920 -0.419 2.447 1.00 0.00 H new ATOM 74 N LYS A 6 -6.703 2.941 0.550 1.00 0.00 N ATOM 75 CA LYS A 6 -6.802 4.378 0.362 1.00 0.00 C ATOM 76 C LYS A 6 -5.604 5.059 1.025 1.00 0.00 C ATOM 77 O LYS A 6 -5.225 4.708 2.141 1.00 0.00 O ATOM 78 CB LYS A 6 -8.155 4.891 0.859 1.00 0.00 C ATOM 79 CG LYS A 6 -9.121 5.109 -0.308 1.00 0.00 C ATOM 80 CD LYS A 6 -10.471 5.630 0.189 1.00 0.00 C ATOM 81 CE LYS A 6 -11.590 4.633 -0.118 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.787 5.338 -0.630 1.00 0.00 N ATOM 0 H LYS A 6 -7.136 2.592 1.405 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.763 4.627 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.583 4.176 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.017 5.827 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.690 5.819 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.264 4.172 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.423 5.809 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.692 6.587 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.246 3.907 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.846 4.076 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.537 4.646 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.124 6.014 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.542 5.849 -1.502 1.00 0.00 H new ATOM 96 N MET A 7 -5.040 6.021 0.311 1.00 0.00 N ATOM 97 CA MET A 7 -3.892 6.755 0.817 1.00 0.00 C ATOM 98 C MET A 7 -4.294 8.161 1.267 1.00 0.00 C ATOM 99 O MET A 7 -4.411 9.069 0.446 1.00 0.00 O ATOM 100 CB MET A 7 -2.827 6.854 -0.278 1.00 0.00 C ATOM 101 CG MET A 7 -2.112 5.515 -0.470 1.00 0.00 C ATOM 102 SD MET A 7 -1.354 5.455 -2.086 1.00 0.00 S ATOM 103 CE MET A 7 -2.311 4.145 -2.829 1.00 0.00 C ATOM 0 H MET A 7 -5.356 6.310 -0.615 1.00 0.00 H new ATOM 0 HA MET A 7 -3.493 6.219 1.678 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.291 7.160 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.101 7.624 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.354 5.384 0.302 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.822 4.695 -0.361 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.231 4.206 -3.914 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.932 3.181 -2.491 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.356 4.247 -2.536 1.00 0.00 H new ATOM 113 N GLY A 8 -4.497 8.295 2.570 1.00 0.00 N ATOM 114 CA GLY A 8 -4.883 9.574 3.139 1.00 0.00 C ATOM 115 C GLY A 8 -6.235 9.471 3.850 1.00 0.00 C ATOM 116 O GLY A 8 -7.085 8.672 3.460 1.00 0.00 O ATOM 0 H GLY A 8 -4.401 7.538 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.121 9.907 3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.938 10.325 2.351 1.00 0.00 H new ATOM 120 N THR A 9 -6.391 10.292 4.878 1.00 0.00 N ATOM 121 CA THR A 9 -7.624 10.304 5.646 1.00 0.00 C ATOM 122 C THR A 9 -8.333 11.651 5.496 1.00 0.00 C ATOM 123 O THR A 9 -7.688 12.673 5.265 1.00 0.00 O ATOM 124 CB THR A 9 -7.281 9.956 7.096 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.096 10.701 7.361 1.00 0.00 O ATOM 126 CG2 THR A 9 -6.849 8.497 7.262 1.00 0.00 C ATOM 0 H THR A 9 -5.684 10.954 5.197 1.00 0.00 H new ATOM 0 HA THR A 9 -8.328 9.559 5.275 1.00 0.00 H new ATOM 0 HB THR A 9 -8.145 10.153 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.327 10.246 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.617 8.303 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.657 7.840 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.965 8.308 6.654 1.00 0.00 H new ATOM 134 N ASP A 10 -9.650 11.609 5.632 1.00 0.00 N ATOM 135 CA ASP A 10 -10.453 12.814 5.515 1.00 0.00 C ATOM 136 C ASP A 10 -9.993 13.832 6.559 1.00 0.00 C ATOM 137 O ASP A 10 -10.309 15.017 6.458 1.00 0.00 O ATOM 138 CB ASP A 10 -11.933 12.516 5.765 1.00 0.00 C ATOM 139 CG ASP A 10 -12.865 13.723 5.644 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.848 14.550 6.581 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.574 13.792 4.616 1.00 0.00 O ATOM 0 H ASP A 10 -10.181 10.759 5.822 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.329 13.205 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.259 11.752 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.039 12.093 6.764 1.00 0.00 H new ATOM 146 N LYS A 11 -9.254 13.334 7.539 1.00 0.00 N ATOM 147 CA LYS A 11 -8.748 14.186 8.602 1.00 0.00 C ATOM 148 C LYS A 11 -7.376 14.734 8.200 1.00 0.00 C ATOM 149 O LYS A 11 -6.471 14.819 9.029 1.00 0.00 O ATOM 150 CB LYS A 11 -8.743 13.435 9.935 1.00 0.00 C ATOM 151 CG LYS A 11 -9.998 13.755 10.749 1.00 0.00 C ATOM 152 CD LYS A 11 -10.708 12.473 11.187 1.00 0.00 C ATOM 153 CE LYS A 11 -12.219 12.695 11.302 1.00 0.00 C ATOM 154 NZ LYS A 11 -12.555 13.312 12.604 1.00 0.00 N ATOM 0 H LYS A 11 -8.993 12.351 7.620 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.405 15.043 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.688 12.362 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.855 13.707 10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.727 14.343 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.677 14.366 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.507 11.678 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.311 12.143 12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.561 13.337 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.741 11.744 11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.583 13.455 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.246 12.686 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.072 14.229 12.689 1.00 0.00 H new ATOM 168 N TYR A 12 -7.267 15.090 6.928 1.00 0.00 N ATOM 169 CA TYR A 12 -6.021 15.628 6.407 1.00 0.00 C ATOM 170 C TYR A 12 -4.815 14.920 7.029 1.00 0.00 C ATOM 171 O TYR A 12 -3.908 15.570 7.544 1.00 0.00 O ATOM 172 CB TYR A 12 -5.996 17.102 6.813 1.00 0.00 C ATOM 173 CG TYR A 12 -7.204 17.903 6.323 1.00 0.00 C ATOM 174 CD1 TYR A 12 -7.301 18.264 4.994 1.00 0.00 C ATOM 175 CD2 TYR A 12 -8.198 18.265 7.209 1.00 0.00 C ATOM 176 CE1 TYR A 12 -8.438 19.017 4.533 1.00 0.00 C ATOM 177 CE2 TYR A 12 -9.334 19.019 6.748 1.00 0.00 C ATOM 178 CZ TYR A 12 -9.399 19.357 5.433 1.00 0.00 C ATOM 179 OH TYR A 12 -10.473 20.069 4.998 1.00 0.00 O ATOM 0 H TYR A 12 -8.020 15.017 6.244 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.966 15.490 5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.946 17.168 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.087 17.560 6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.523 17.981 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.124 17.982 8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.526 19.305 3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.118 19.310 7.432 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.079 20.239 5.749 1.00 0.00 H new ATOM 189 N ALA A 13 -4.846 13.597 6.960 1.00 0.00 N ATOM 190 CA ALA A 13 -3.767 12.794 7.509 1.00 0.00 C ATOM 191 C ALA A 13 -3.322 11.764 6.468 1.00 0.00 C ATOM 192 O ALA A 13 -4.100 10.897 6.076 1.00 0.00 O ATOM 193 CB ALA A 13 -4.230 12.140 8.813 1.00 0.00 C ATOM 0 H ALA A 13 -5.601 13.061 6.532 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.906 13.419 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.421 11.537 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.508 12.913 9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.092 11.503 8.615 1.00 0.00 H new ATOM 199 N PRO A 14 -2.038 11.899 6.039 1.00 0.00 N ATOM 200 CA PRO A 14 -1.480 10.992 5.050 1.00 0.00 C ATOM 201 C PRO A 14 -1.165 9.630 5.674 1.00 0.00 C ATOM 202 O PRO A 14 -0.071 9.419 6.193 1.00 0.00 O ATOM 203 CB PRO A 14 -0.246 11.701 4.518 1.00 0.00 C ATOM 204 CG PRO A 14 0.103 12.762 5.549 1.00 0.00 C ATOM 205 CD PRO A 14 -1.088 12.916 6.482 1.00 0.00 C ATOM 0 HA PRO A 14 -2.176 10.771 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.579 11.001 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.444 12.152 3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.992 12.472 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.330 13.709 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.799 12.762 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.517 13.916 6.415 1.00 0.00 H new ATOM 213 N LEU A 15 -2.146 8.742 5.600 1.00 0.00 N ATOM 214 CA LEU A 15 -1.987 7.406 6.150 1.00 0.00 C ATOM 215 C LEU A 15 -2.757 6.407 5.284 1.00 0.00 C ATOM 216 O LEU A 15 -3.729 6.773 4.625 1.00 0.00 O ATOM 217 CB LEU A 15 -2.392 7.382 7.625 1.00 0.00 C ATOM 218 CG LEU A 15 -3.828 7.814 7.933 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.738 6.598 8.122 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.871 8.754 9.139 1.00 0.00 C ATOM 0 H LEU A 15 -3.053 8.921 5.168 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.939 7.107 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.249 6.370 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.712 8.029 8.179 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.208 8.371 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.752 6.933 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.741 6.001 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.370 5.993 8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.903 9.046 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.465 8.244 10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.276 9.643 8.929 1.00 0.00 H new ATOM 232 N TYR A 16 -2.295 5.166 5.315 1.00 0.00 N ATOM 233 CA TYR A 16 -2.929 4.112 4.540 1.00 0.00 C ATOM 234 C TYR A 16 -4.179 3.588 5.249 1.00 0.00 C ATOM 235 O TYR A 16 -4.116 3.178 6.407 1.00 0.00 O ATOM 236 CB TYR A 16 -1.901 2.984 4.443 1.00 0.00 C ATOM 237 CG TYR A 16 -0.915 3.138 3.284 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.367 3.083 1.982 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.427 3.332 3.542 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.438 3.227 0.891 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.356 3.477 2.451 1.00 0.00 C ATOM 242 CZ TYR A 16 0.878 3.418 1.180 1.00 0.00 C ATOM 243 OH TYR A 16 1.755 3.555 0.149 1.00 0.00 O ATOM 0 H TYR A 16 -1.489 4.866 5.864 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.234 4.484 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.342 2.934 5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.427 2.035 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.417 2.932 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.780 3.375 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.778 3.184 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.409 3.629 2.639 1.00 0.00 H new ATOM 0 HH TYR A 16 1.276 3.859 -0.650 1.00 0.00 H new ATOM 253 N GLU A 17 -5.288 3.619 4.523 1.00 0.00 N ATOM 254 CA GLU A 17 -6.552 3.151 5.068 1.00 0.00 C ATOM 255 C GLU A 17 -7.216 2.169 4.101 1.00 0.00 C ATOM 256 O GLU A 17 -7.341 2.451 2.911 1.00 0.00 O ATOM 257 CB GLU A 17 -7.482 4.326 5.380 1.00 0.00 C ATOM 258 CG GLU A 17 -8.675 3.871 6.223 1.00 0.00 C ATOM 259 CD GLU A 17 -9.631 5.035 6.493 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.116 6.138 6.777 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.855 4.796 6.410 1.00 0.00 O ATOM 0 H GLU A 17 -5.337 3.961 3.563 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.351 2.629 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.930 5.100 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.837 4.770 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.206 3.072 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.321 3.459 7.168 1.00 0.00 H new ATOM 268 N PRO A 18 -7.634 1.003 4.665 1.00 0.00 N ATOM 269 CA PRO A 18 -7.447 0.748 6.082 1.00 0.00 C ATOM 270 C PRO A 18 -5.988 0.413 6.391 1.00 0.00 C ATOM 271 O PRO A 18 -5.273 -0.111 5.538 1.00 0.00 O ATOM 272 CB PRO A 18 -8.400 -0.392 6.406 1.00 0.00 C ATOM 273 CG PRO A 18 -8.742 -1.040 5.074 1.00 0.00 C ATOM 274 CD PRO A 18 -8.294 -0.097 3.968 1.00 0.00 C ATOM 0 HA PRO A 18 -7.666 1.620 6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.935 -1.110 7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.297 -0.022 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.243 -2.004 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.813 -1.228 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.613 -0.593 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.142 0.257 3.382 1.00 0.00 H new ATOM 282 N LYS A 19 -5.587 0.727 7.616 1.00 0.00 N ATOM 283 CA LYS A 19 -4.226 0.465 8.048 1.00 0.00 C ATOM 284 C LYS A 19 -3.954 -1.038 7.980 1.00 0.00 C ATOM 285 O LYS A 19 -2.850 -1.458 7.634 1.00 0.00 O ATOM 286 CB LYS A 19 -3.976 1.073 9.430 1.00 0.00 C ATOM 287 CG LYS A 19 -4.819 0.373 10.498 1.00 0.00 C ATOM 288 CD LYS A 19 -4.271 0.652 11.898 1.00 0.00 C ATOM 289 CE LYS A 19 -2.889 0.024 12.082 1.00 0.00 C ATOM 290 NZ LYS A 19 -2.954 -1.098 13.046 1.00 0.00 N ATOM 0 H LYS A 19 -6.182 1.160 8.322 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.515 0.949 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.919 0.988 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.215 2.136 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.852 0.715 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.827 -0.701 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.210 1.728 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.957 0.255 12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.515 -0.334 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.185 0.777 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.007 -1.513 13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.291 -0.747 13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.610 -1.823 12.691 1.00 0.00 H new ATOM 304 N ALA A 20 -4.978 -1.809 8.315 1.00 0.00 N ATOM 305 CA ALA A 20 -4.863 -3.257 8.296 1.00 0.00 C ATOM 306 C ALA A 20 -5.847 -3.830 7.274 1.00 0.00 C ATOM 307 O ALA A 20 -6.972 -3.346 7.152 1.00 0.00 O ATOM 308 CB ALA A 20 -5.099 -3.807 9.704 1.00 0.00 C ATOM 0 H ALA A 20 -5.892 -1.458 8.601 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.860 -3.558 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.013 -4.893 9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.356 -3.393 10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.097 -3.527 10.042 1.00 0.00 H new ATOM 314 N LEU A 21 -5.387 -4.850 6.565 1.00 0.00 N ATOM 315 CA LEU A 21 -6.214 -5.493 5.557 1.00 0.00 C ATOM 316 C LEU A 21 -5.899 -6.990 5.525 1.00 0.00 C ATOM 317 O LEU A 21 -4.747 -7.390 5.691 1.00 0.00 O ATOM 318 CB LEU A 21 -6.044 -4.800 4.204 1.00 0.00 C ATOM 319 CG LEU A 21 -6.440 -5.623 2.975 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.940 -5.925 2.978 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.998 -4.927 1.685 1.00 0.00 C ATOM 0 H LEU A 21 -4.453 -5.247 6.668 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.270 -5.394 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.636 -3.885 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.000 -4.504 4.098 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.919 -6.579 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.195 -6.510 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.196 -6.490 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.499 -4.990 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.291 -5.532 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.473 -3.948 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.915 -4.805 1.690 1.00 0.00 H new ATOM 333 N SER A 22 -6.943 -7.777 5.311 1.00 0.00 N ATOM 334 CA SER A 22 -6.793 -9.222 5.255 1.00 0.00 C ATOM 335 C SER A 22 -7.483 -9.772 4.005 1.00 0.00 C ATOM 336 O SER A 22 -8.540 -9.282 3.610 1.00 0.00 O ATOM 337 CB SER A 22 -7.362 -9.883 6.511 1.00 0.00 C ATOM 338 OG SER A 22 -6.989 -11.256 6.608 1.00 0.00 O ATOM 0 H SER A 22 -7.897 -7.442 5.174 1.00 0.00 H new ATOM 0 HA SER A 22 -5.729 -9.454 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.010 -9.348 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.449 -9.802 6.502 1.00 0.00 H new ATOM 0 HG SER A 22 -7.370 -11.642 7.424 1.00 0.00 H new ATOM 344 N ILE A 23 -6.859 -10.783 3.419 1.00 0.00 N ATOM 345 CA ILE A 23 -7.401 -11.405 2.224 1.00 0.00 C ATOM 346 C ILE A 23 -6.954 -12.867 2.167 1.00 0.00 C ATOM 347 O ILE A 23 -6.316 -13.361 3.096 1.00 0.00 O ATOM 348 CB ILE A 23 -7.021 -10.598 0.981 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.509 -10.624 0.751 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.563 -9.169 1.068 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.160 -10.154 -0.662 1.00 0.00 C ATOM 0 H ILE A 23 -5.983 -11.187 3.750 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.491 -11.405 2.256 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.486 -11.067 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.015 -9.984 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.132 -11.635 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.279 -8.617 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.650 -9.196 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.147 -8.675 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.079 -10.182 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.635 -10.810 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.517 -9.134 -0.805 1.00 0.00 H new ATOM 363 N SER A 24 -7.306 -13.519 1.068 1.00 0.00 N ATOM 364 CA SER A 24 -6.949 -14.914 0.879 1.00 0.00 C ATOM 365 C SER A 24 -6.119 -15.074 -0.397 1.00 0.00 C ATOM 366 O SER A 24 -6.071 -14.168 -1.227 1.00 0.00 O ATOM 367 CB SER A 24 -8.196 -15.798 0.816 1.00 0.00 C ATOM 368 OG SER A 24 -9.114 -15.502 1.864 1.00 0.00 O ATOM 0 H SER A 24 -7.835 -13.106 0.300 1.00 0.00 H new ATOM 0 HA SER A 24 -6.353 -15.233 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.689 -15.662 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.901 -16.846 0.878 1.00 0.00 H new ATOM 0 HG SER A 24 -8.764 -15.847 2.712 1.00 0.00 H new ATOM 374 N ALA A 25 -5.488 -16.232 -0.513 1.00 0.00 N ATOM 375 CA ALA A 25 -4.663 -16.522 -1.674 1.00 0.00 C ATOM 376 C ALA A 25 -5.541 -16.540 -2.925 1.00 0.00 C ATOM 377 O ALA A 25 -6.302 -17.483 -3.141 1.00 0.00 O ATOM 378 CB ALA A 25 -3.925 -17.845 -1.459 1.00 0.00 C ATOM 0 H ALA A 25 -5.531 -16.981 0.178 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.908 -15.748 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.306 -18.062 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.293 -17.769 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.650 -18.647 -1.319 1.00 0.00 H new ATOM 384 N GLY A 26 -5.407 -15.489 -3.719 1.00 0.00 N ATOM 385 CA GLY A 26 -6.179 -15.372 -4.945 1.00 0.00 C ATOM 386 C GLY A 26 -6.977 -14.066 -4.968 1.00 0.00 C ATOM 387 O GLY A 26 -7.568 -13.714 -5.988 1.00 0.00 O ATOM 0 H GLY A 26 -4.775 -14.709 -3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.510 -15.409 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.859 -16.219 -5.033 1.00 0.00 H new ATOM 391 N ASP A 27 -6.969 -13.384 -3.832 1.00 0.00 N ATOM 392 CA ASP A 27 -7.684 -12.126 -3.710 1.00 0.00 C ATOM 393 C ASP A 27 -6.844 -11.005 -4.324 1.00 0.00 C ATOM 394 O ASP A 27 -5.698 -11.225 -4.714 1.00 0.00 O ATOM 395 CB ASP A 27 -7.937 -11.777 -2.242 1.00 0.00 C ATOM 396 CG ASP A 27 -9.082 -12.549 -1.581 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.333 -13.687 -2.032 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.680 -11.983 -0.641 1.00 0.00 O ATOM 0 H ASP A 27 -6.478 -13.679 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.638 -12.229 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.022 -11.960 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.149 -10.710 -2.169 1.00 0.00 H new ATOM 403 N THR A 28 -7.447 -9.827 -4.391 1.00 0.00 N ATOM 404 CA THR A 28 -6.768 -8.670 -4.951 1.00 0.00 C ATOM 405 C THR A 28 -6.812 -7.499 -3.968 1.00 0.00 C ATOM 406 O THR A 28 -7.661 -7.460 -3.081 1.00 0.00 O ATOM 407 CB THR A 28 -7.412 -8.354 -6.303 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.339 -9.584 -7.018 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.572 -7.385 -7.139 1.00 0.00 C ATOM 0 H THR A 28 -8.398 -9.649 -4.067 1.00 0.00 H new ATOM 0 HA THR A 28 -5.710 -8.873 -5.118 1.00 0.00 H new ATOM 0 HB THR A 28 -8.403 -7.930 -6.143 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.864 -9.443 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.073 -7.194 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.452 -6.447 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.592 -7.823 -7.328 1.00 0.00 H new ATOM 417 N VAL A 29 -5.883 -6.572 -4.161 1.00 0.00 N ATOM 418 CA VAL A 29 -5.804 -5.402 -3.302 1.00 0.00 C ATOM 419 C VAL A 29 -5.577 -4.158 -4.162 1.00 0.00 C ATOM 420 O VAL A 29 -4.515 -4.001 -4.764 1.00 0.00 O ATOM 421 CB VAL A 29 -4.720 -5.604 -2.242 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.478 -4.316 -1.454 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.073 -6.761 -1.308 1.00 0.00 C ATOM 0 H VAL A 29 -5.180 -6.608 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.741 -5.258 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.794 -5.862 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.703 -4.487 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.158 -3.527 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.400 -4.014 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.285 -6.882 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.016 -6.548 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.170 -7.679 -1.887 1.00 0.00 H new ATOM 433 N GLU A 30 -6.591 -3.305 -4.193 1.00 0.00 N ATOM 434 CA GLU A 30 -6.514 -2.080 -4.970 1.00 0.00 C ATOM 435 C GLU A 30 -5.904 -0.956 -4.130 1.00 0.00 C ATOM 436 O GLU A 30 -5.764 -1.091 -2.915 1.00 0.00 O ATOM 437 CB GLU A 30 -7.892 -1.681 -5.502 1.00 0.00 C ATOM 438 CG GLU A 30 -7.782 -0.525 -6.498 1.00 0.00 C ATOM 439 CD GLU A 30 -9.052 -0.407 -7.343 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.672 -1.465 -7.587 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.374 0.738 -7.726 1.00 0.00 O ATOM 0 H GLU A 30 -7.470 -3.438 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.867 -2.257 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.361 -2.538 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.536 -1.390 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.610 0.408 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.921 -0.681 -7.148 1.00 0.00 H new ATOM 448 N PHE A 31 -5.559 0.127 -4.809 1.00 0.00 N ATOM 449 CA PHE A 31 -4.969 1.274 -4.141 1.00 0.00 C ATOM 450 C PHE A 31 -5.399 2.581 -4.810 1.00 0.00 C ATOM 451 O PHE A 31 -5.153 2.785 -5.997 1.00 0.00 O ATOM 452 CB PHE A 31 -3.451 1.129 -4.261 1.00 0.00 C ATOM 453 CG PHE A 31 -2.864 0.001 -3.410 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.843 -1.272 -3.886 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.362 0.272 -2.174 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.300 -2.319 -3.097 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.818 -0.774 -1.384 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.798 -2.047 -1.861 1.00 0.00 C ATOM 0 H PHE A 31 -5.677 0.235 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.294 1.306 -3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.195 0.953 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.983 2.070 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.240 -1.487 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.378 1.283 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.285 -3.330 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.420 -0.559 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.384 -2.843 -1.259 1.00 0.00 H new ATOM 468 N VAL A 32 -6.034 3.434 -4.018 1.00 0.00 N ATOM 469 CA VAL A 32 -6.500 4.715 -4.519 1.00 0.00 C ATOM 470 C VAL A 32 -5.917 5.837 -3.658 1.00 0.00 C ATOM 471 O VAL A 32 -5.643 5.638 -2.476 1.00 0.00 O ATOM 472 CB VAL A 32 -8.029 4.732 -4.569 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.623 4.791 -3.160 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.537 5.893 -5.426 1.00 0.00 C ATOM 0 H VAL A 32 -6.236 3.262 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.153 4.875 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.359 3.803 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.711 4.802 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.302 3.917 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.280 5.696 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.627 5.882 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.191 6.836 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.156 5.789 -6.442 1.00 0.00 H new ATOM 484 N MET A 33 -5.744 6.992 -4.285 1.00 0.00 N ATOM 485 CA MET A 33 -5.198 8.146 -3.591 1.00 0.00 C ATOM 486 C MET A 33 -6.316 9.059 -3.083 1.00 0.00 C ATOM 487 O MET A 33 -7.068 9.625 -3.875 1.00 0.00 O ATOM 488 CB MET A 33 -4.290 8.930 -4.540 1.00 0.00 C ATOM 489 CG MET A 33 -3.281 9.776 -3.759 1.00 0.00 C ATOM 490 SD MET A 33 -3.157 11.401 -4.486 1.00 0.00 S ATOM 491 CE MET A 33 -4.593 12.176 -3.761 1.00 0.00 C ATOM 0 H MET A 33 -5.972 7.153 -5.266 1.00 0.00 H new ATOM 0 HA MET A 33 -4.624 7.794 -2.734 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.760 8.239 -5.196 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.895 9.575 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.591 9.857 -2.717 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.305 9.290 -3.764 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.462 13.258 -3.762 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.478 11.918 -4.342 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.717 11.826 -2.736 1.00 0.00 H new ATOM 501 N ASN A 34 -6.390 9.173 -1.765 1.00 0.00 N ATOM 502 CA ASN A 34 -7.403 10.008 -1.142 1.00 0.00 C ATOM 503 C ASN A 34 -7.020 11.479 -1.312 1.00 0.00 C ATOM 504 O ASN A 34 -7.658 12.206 -2.071 1.00 0.00 O ATOM 505 CB ASN A 34 -7.511 9.717 0.357 1.00 0.00 C ATOM 506 CG ASN A 34 -8.678 8.772 0.649 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.837 7.732 0.032 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.482 9.190 1.622 1.00 0.00 N ATOM 0 H ASN A 34 -5.765 8.701 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.358 9.793 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.581 9.273 0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.648 10.650 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.290 8.629 1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.291 10.072 2.098 1.00 0.00 H new ATOM 515 N LYS A 35 -5.981 11.874 -0.592 1.00 0.00 N ATOM 516 CA LYS A 35 -5.506 13.246 -0.653 1.00 0.00 C ATOM 517 C LYS A 35 -4.135 13.337 0.021 1.00 0.00 C ATOM 518 O LYS A 35 -3.504 12.317 0.294 1.00 0.00 O ATOM 519 CB LYS A 35 -6.545 14.200 -0.063 1.00 0.00 C ATOM 520 CG LYS A 35 -7.410 13.491 0.982 1.00 0.00 C ATOM 521 CD LYS A 35 -6.581 13.100 2.206 1.00 0.00 C ATOM 522 CE LYS A 35 -6.735 14.133 3.325 1.00 0.00 C ATOM 523 NZ LYS A 35 -6.319 15.473 2.854 1.00 0.00 N ATOM 0 H LYS A 35 -5.454 11.268 0.037 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.374 13.557 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.043 15.053 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.178 14.591 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.228 14.144 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.860 12.600 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.896 12.120 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.531 13.015 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.772 14.164 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.132 13.840 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.414 16.159 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.328 15.439 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.923 15.765 2.059 1.00 0.00 H new ATOM 537 N VAL A 36 -3.714 14.568 0.271 1.00 0.00 N ATOM 538 CA VAL A 36 -2.430 14.806 0.908 1.00 0.00 C ATOM 539 C VAL A 36 -1.346 14.017 0.170 1.00 0.00 C ATOM 540 O VAL A 36 -0.461 13.436 0.796 1.00 0.00 O ATOM 541 CB VAL A 36 -2.513 14.460 2.396 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.645 12.950 2.602 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.304 15.011 3.155 1.00 0.00 C ATOM 0 H VAL A 36 -4.240 15.412 0.044 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.162 15.861 0.847 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.408 14.933 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.702 12.732 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.550 12.593 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.777 12.447 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.388 14.751 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.390 14.579 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.272 16.095 3.050 1.00 0.00 H new ATOM 553 N GLY A 37 -1.451 14.024 -1.151 1.00 0.00 N ATOM 554 CA GLY A 37 -0.490 13.316 -1.981 1.00 0.00 C ATOM 555 C GLY A 37 0.794 14.131 -2.148 1.00 0.00 C ATOM 556 O GLY A 37 0.977 15.152 -1.487 1.00 0.00 O ATOM 0 H GLY A 37 -2.186 14.508 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.257 12.351 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.927 13.115 -2.959 1.00 0.00 H new ATOM 560 N PRO A 38 1.674 13.636 -3.060 1.00 0.00 N ATOM 561 CA PRO A 38 1.379 12.421 -3.801 1.00 0.00 C ATOM 562 C PRO A 38 1.549 11.184 -2.916 1.00 0.00 C ATOM 563 O PRO A 38 1.654 11.299 -1.696 1.00 0.00 O ATOM 564 CB PRO A 38 2.333 12.440 -4.984 1.00 0.00 C ATOM 565 CG PRO A 38 3.438 13.418 -4.613 1.00 0.00 C ATOM 566 CD PRO A 38 2.966 14.218 -3.410 1.00 0.00 C ATOM 0 HA PRO A 38 0.344 12.377 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.739 11.446 -5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.821 12.755 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.359 12.883 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.658 14.081 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.671 14.142 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.871 15.277 -3.651 1.00 0.00 H new ATOM 574 N HIS A 39 1.571 10.030 -3.565 1.00 0.00 N ATOM 575 CA HIS A 39 1.726 8.773 -2.853 1.00 0.00 C ATOM 576 C HIS A 39 2.480 7.774 -3.731 1.00 0.00 C ATOM 577 O HIS A 39 3.004 8.139 -4.783 1.00 0.00 O ATOM 578 CB HIS A 39 0.369 8.244 -2.384 1.00 0.00 C ATOM 579 CG HIS A 39 -0.336 9.147 -1.400 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.248 8.978 -0.030 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.140 10.230 -1.603 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.971 9.921 0.557 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.524 10.695 -0.420 1.00 0.00 N ATOM 0 H HIS A 39 1.484 9.939 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 39 2.320 8.932 -1.953 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.273 8.099 -3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.511 7.265 -1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.417 10.640 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.099 10.053 1.621 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.133 11.499 -0.267 1.00 0.00 H new ATOM 591 N ASN A 40 2.512 6.533 -3.269 1.00 0.00 N ATOM 592 CA ASN A 40 3.193 5.478 -4.000 1.00 0.00 C ATOM 593 C ASN A 40 2.887 4.130 -3.346 1.00 0.00 C ATOM 594 O ASN A 40 2.141 4.065 -2.369 1.00 0.00 O ATOM 595 CB ASN A 40 4.709 5.683 -3.976 1.00 0.00 C ATOM 596 CG ASN A 40 5.213 5.877 -2.543 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.883 6.837 -1.867 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.029 4.915 -2.123 1.00 0.00 N ATOM 0 H ASN A 40 2.077 6.234 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 40 2.842 5.501 -5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.203 4.822 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.972 6.552 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.420 4.953 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.264 4.139 -2.742 1.00 0.00 H new ATOM 605 N VAL A 41 3.478 3.087 -3.909 1.00 0.00 N ATOM 606 CA VAL A 41 3.278 1.743 -3.392 1.00 0.00 C ATOM 607 C VAL A 41 4.633 1.044 -3.262 1.00 0.00 C ATOM 608 O VAL A 41 5.080 0.373 -4.192 1.00 0.00 O ATOM 609 CB VAL A 41 2.295 0.982 -4.283 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.086 -0.446 -3.773 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.963 1.725 -4.391 1.00 0.00 C ATOM 0 H VAL A 41 4.096 3.145 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 41 2.834 1.778 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 41 2.727 0.922 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.383 -0.966 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.039 -0.975 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.687 -0.416 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.283 1.162 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.524 1.831 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.131 2.712 -4.821 1.00 0.00 H new ATOM 621 N ILE A 42 5.248 1.225 -2.103 1.00 0.00 N ATOM 622 CA ILE A 42 6.542 0.620 -1.839 1.00 0.00 C ATOM 623 C ILE A 42 6.430 -0.307 -0.628 1.00 0.00 C ATOM 624 O ILE A 42 6.387 0.155 0.511 1.00 0.00 O ATOM 625 CB ILE A 42 7.617 1.699 -1.691 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.922 2.358 -3.037 1.00 0.00 C ATOM 627 CG2 ILE A 42 8.876 1.130 -1.033 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.692 3.666 -2.845 1.00 0.00 C ATOM 0 H ILE A 42 4.874 1.783 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 42 6.854 0.005 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 42 7.232 2.477 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.505 1.676 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.991 2.555 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.625 1.917 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.628 0.746 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.274 0.322 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.896 4.114 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.096 4.355 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.633 3.462 -2.334 1.00 0.00 H new ATOM 640 N PHE A 43 6.384 -1.600 -0.915 1.00 0.00 N ATOM 641 CA PHE A 43 6.278 -2.597 0.137 1.00 0.00 C ATOM 642 C PHE A 43 7.565 -2.665 0.961 1.00 0.00 C ATOM 643 O PHE A 43 8.630 -2.268 0.489 1.00 0.00 O ATOM 644 CB PHE A 43 6.053 -3.947 -0.547 1.00 0.00 C ATOM 645 CG PHE A 43 4.729 -4.046 -1.309 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.604 -4.460 -0.668 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.679 -3.720 -2.629 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.377 -4.552 -1.375 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.452 -3.811 -3.336 1.00 0.00 C ATOM 650 CZ PHE A 43 2.326 -4.225 -2.694 1.00 0.00 C ATOM 0 H PHE A 43 6.418 -1.980 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 43 5.460 -2.340 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.874 -4.133 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.087 -4.734 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.644 -4.719 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.573 -3.392 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.484 -4.882 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.412 -3.552 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.392 -4.294 -3.232 1.00 0.00 H new ATOM 660 N ASP A 44 7.424 -3.169 2.178 1.00 0.00 N ATOM 661 CA ASP A 44 8.563 -3.292 3.073 1.00 0.00 C ATOM 662 C ASP A 44 9.289 -4.609 2.787 1.00 0.00 C ATOM 663 O ASP A 44 10.508 -4.627 2.623 1.00 0.00 O ATOM 664 CB ASP A 44 8.115 -3.308 4.535 1.00 0.00 C ATOM 665 CG ASP A 44 9.046 -2.575 5.504 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.098 -3.164 5.834 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.684 -1.443 5.892 1.00 0.00 O ATOM 0 H ASP A 44 6.539 -3.497 2.566 1.00 0.00 H new ATOM 0 HA ASP A 44 9.218 -2.437 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.123 -2.862 4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.020 -4.344 4.859 1.00 0.00 H new ATOM 672 N LYS A 45 8.509 -5.679 2.736 1.00 0.00 N ATOM 673 CA LYS A 45 9.063 -6.997 2.473 1.00 0.00 C ATOM 674 C LYS A 45 8.008 -8.059 2.784 1.00 0.00 C ATOM 675 O LYS A 45 7.161 -7.863 3.654 1.00 0.00 O ATOM 676 CB LYS A 45 10.374 -7.189 3.239 1.00 0.00 C ATOM 677 CG LYS A 45 11.566 -7.241 2.280 1.00 0.00 C ATOM 678 CD LYS A 45 12.727 -8.027 2.890 1.00 0.00 C ATOM 679 CE LYS A 45 13.315 -9.011 1.878 1.00 0.00 C ATOM 680 NZ LYS A 45 13.465 -10.352 2.487 1.00 0.00 N ATOM 0 H LYS A 45 7.498 -5.660 2.872 1.00 0.00 H new ATOM 0 HA LYS A 45 9.319 -7.100 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.508 -6.372 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.329 -8.111 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.262 -7.704 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.892 -6.228 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.502 -7.337 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.381 -8.569 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.668 -9.073 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.284 -8.651 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.865 -11.008 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.101 -10.291 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.534 -10.700 2.795 1.00 0.00 H new ATOM 694 N VAL A 46 8.093 -9.164 2.055 1.00 0.00 N ATOM 695 CA VAL A 46 7.156 -10.258 2.243 1.00 0.00 C ATOM 696 C VAL A 46 7.933 -11.563 2.429 1.00 0.00 C ATOM 697 O VAL A 46 9.092 -11.661 2.032 1.00 0.00 O ATOM 698 CB VAL A 46 6.173 -10.311 1.071 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.322 -9.039 1.012 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.906 -10.542 -0.252 1.00 0.00 C ATOM 0 H VAL A 46 8.796 -9.324 1.334 1.00 0.00 H new ATOM 0 HA VAL A 46 6.562 -10.102 3.143 1.00 0.00 H new ATOM 0 HB VAL A 46 5.504 -11.156 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.632 -9.102 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.757 -8.936 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.971 -8.173 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.183 -10.575 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.611 -9.728 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.447 -11.487 -0.208 1.00 0.00 H new ATOM 710 N PRO A 47 7.244 -12.558 3.051 1.00 0.00 N ATOM 711 CA PRO A 47 7.858 -13.852 3.295 1.00 0.00 C ATOM 712 C PRO A 47 7.943 -14.670 2.006 1.00 0.00 C ATOM 713 O PRO A 47 7.267 -14.363 1.025 1.00 0.00 O ATOM 714 CB PRO A 47 6.987 -14.505 4.356 1.00 0.00 C ATOM 715 CG PRO A 47 5.664 -13.756 4.330 1.00 0.00 C ATOM 716 CD PRO A 47 5.869 -12.477 3.535 1.00 0.00 C ATOM 0 HA PRO A 47 8.889 -13.771 3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.840 -15.564 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.454 -14.439 5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.887 -14.369 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.335 -13.527 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.162 -12.407 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.720 -11.595 4.158 1.00 0.00 H new ATOM 724 N ALA A 48 8.780 -15.696 2.048 1.00 0.00 N ATOM 725 CA ALA A 48 8.964 -16.561 0.895 1.00 0.00 C ATOM 726 C ALA A 48 7.612 -16.794 0.217 1.00 0.00 C ATOM 727 O ALA A 48 6.619 -17.080 0.885 1.00 0.00 O ATOM 728 CB ALA A 48 9.627 -17.867 1.337 1.00 0.00 C ATOM 0 H ALA A 48 9.339 -15.948 2.863 1.00 0.00 H new ATOM 0 HA ALA A 48 9.623 -16.092 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.765 -18.516 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.596 -17.649 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.993 -18.368 2.069 1.00 0.00 H new ATOM 734 N GLY A 49 7.616 -16.662 -1.101 1.00 0.00 N ATOM 735 CA GLY A 49 6.402 -16.855 -1.877 1.00 0.00 C ATOM 736 C GLY A 49 6.270 -15.785 -2.962 1.00 0.00 C ATOM 737 O GLY A 49 6.322 -16.092 -4.151 1.00 0.00 O ATOM 0 H GLY A 49 8.441 -16.424 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.412 -17.844 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.535 -16.819 -1.218 1.00 0.00 H new ATOM 741 N GLU A 50 6.101 -14.550 -2.512 1.00 0.00 N ATOM 742 CA GLU A 50 5.960 -13.433 -3.430 1.00 0.00 C ATOM 743 C GLU A 50 7.281 -12.666 -3.540 1.00 0.00 C ATOM 744 O GLU A 50 8.301 -13.102 -3.010 1.00 0.00 O ATOM 745 CB GLU A 50 4.823 -12.506 -2.996 1.00 0.00 C ATOM 746 CG GLU A 50 3.849 -12.256 -4.149 1.00 0.00 C ATOM 747 CD GLU A 50 4.057 -10.864 -4.750 1.00 0.00 C ATOM 748 OE1 GLU A 50 4.154 -9.909 -3.949 1.00 0.00 O ATOM 749 OE2 GLU A 50 4.113 -10.786 -5.996 1.00 0.00 O ATOM 0 H GLU A 50 6.059 -14.299 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 50 5.708 -13.827 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.290 -12.948 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.234 -11.558 -2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.990 -13.014 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.824 -12.352 -3.791 1.00 0.00 H new ATOM 756 N SER A 51 7.216 -11.536 -4.230 1.00 0.00 N ATOM 757 CA SER A 51 8.393 -10.705 -4.415 1.00 0.00 C ATOM 758 C SER A 51 8.075 -9.257 -4.041 1.00 0.00 C ATOM 759 O SER A 51 7.870 -8.417 -4.916 1.00 0.00 O ATOM 760 CB SER A 51 8.900 -10.782 -5.856 1.00 0.00 C ATOM 761 OG SER A 51 9.510 -12.038 -6.142 1.00 0.00 O ATOM 0 H SER A 51 6.367 -11.177 -4.667 1.00 0.00 H new ATOM 0 HA SER A 51 9.181 -11.078 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.069 -10.618 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.619 -9.982 -6.030 1.00 0.00 H new ATOM 0 HG SER A 51 9.819 -12.047 -7.072 1.00 0.00 H new ATOM 767 N ALA A 52 8.043 -9.008 -2.740 1.00 0.00 N ATOM 768 CA ALA A 52 7.753 -7.675 -2.240 1.00 0.00 C ATOM 769 C ALA A 52 8.658 -6.663 -2.944 1.00 0.00 C ATOM 770 O ALA A 52 8.178 -5.666 -3.484 1.00 0.00 O ATOM 771 CB ALA A 52 7.925 -7.652 -0.719 1.00 0.00 C ATOM 0 H ALA A 52 8.213 -9.707 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 52 6.721 -7.400 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.708 -6.652 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.240 -8.367 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.950 -7.920 -0.465 1.00 0.00 H new ATOM 777 N PRO A 53 9.985 -6.960 -2.916 1.00 0.00 N ATOM 778 CA PRO A 53 10.961 -6.087 -3.546 1.00 0.00 C ATOM 779 C PRO A 53 10.925 -6.233 -5.068 1.00 0.00 C ATOM 780 O PRO A 53 11.961 -6.431 -5.700 1.00 0.00 O ATOM 781 CB PRO A 53 12.296 -6.490 -2.942 1.00 0.00 C ATOM 782 CG PRO A 53 12.085 -7.874 -2.349 1.00 0.00 C ATOM 783 CD PRO A 53 10.588 -8.131 -2.286 1.00 0.00 C ATOM 0 HA PRO A 53 10.760 -5.031 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.079 -6.505 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.608 -5.780 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.577 -8.630 -2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.525 -7.934 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.321 -9.047 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.249 -8.246 -1.257 1.00 0.00 H new ATOM 791 N ALA A 54 9.722 -6.127 -5.612 1.00 0.00 N ATOM 792 CA ALA A 54 9.538 -6.244 -7.049 1.00 0.00 C ATOM 793 C ALA A 54 8.251 -5.522 -7.454 1.00 0.00 C ATOM 794 O ALA A 54 8.238 -4.768 -8.426 1.00 0.00 O ATOM 795 CB ALA A 54 9.524 -7.722 -7.443 1.00 0.00 C ATOM 0 H ALA A 54 8.865 -5.961 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 54 10.364 -5.772 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.386 -7.810 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.470 -8.183 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.706 -8.228 -6.930 1.00 0.00 H new ATOM 801 N LEU A 55 7.200 -5.777 -6.689 1.00 0.00 N ATOM 802 CA LEU A 55 5.912 -5.161 -6.956 1.00 0.00 C ATOM 803 C LEU A 55 5.994 -3.665 -6.649 1.00 0.00 C ATOM 804 O LEU A 55 5.308 -2.859 -7.276 1.00 0.00 O ATOM 805 CB LEU A 55 4.802 -5.885 -6.191 1.00 0.00 C ATOM 806 CG LEU A 55 4.145 -7.061 -6.918 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.141 -7.774 -6.009 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.507 -6.606 -8.231 1.00 0.00 C ATOM 0 H LEU A 55 7.214 -6.403 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 55 5.656 -5.258 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.214 -6.249 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.028 -5.160 -5.940 1.00 0.00 H new ATOM 0 HG LEU A 55 4.921 -7.784 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.688 -8.606 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.655 -8.152 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.364 -7.073 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.047 -7.461 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.746 -5.854 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.273 -6.179 -8.879 1.00 0.00 H new ATOM 820 N SER A 56 6.840 -3.336 -5.684 1.00 0.00 N ATOM 821 CA SER A 56 7.020 -1.951 -5.285 1.00 0.00 C ATOM 822 C SER A 56 7.124 -1.059 -6.525 1.00 0.00 C ATOM 823 O SER A 56 7.290 -1.555 -7.638 1.00 0.00 O ATOM 824 CB SER A 56 8.263 -1.787 -4.408 1.00 0.00 C ATOM 825 OG SER A 56 8.426 -2.876 -3.503 1.00 0.00 O ATOM 0 H SER A 56 7.409 -4.006 -5.166 1.00 0.00 H new ATOM 0 HA SER A 56 6.152 -1.649 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.146 -1.707 -5.042 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.190 -0.856 -3.846 1.00 0.00 H new ATOM 0 HG SER A 56 9.231 -2.735 -2.963 1.00 0.00 H new ATOM 831 N ASN A 57 7.024 0.240 -6.290 1.00 0.00 N ATOM 832 CA ASN A 57 7.104 1.205 -7.372 1.00 0.00 C ATOM 833 C ASN A 57 7.213 2.615 -6.787 1.00 0.00 C ATOM 834 O ASN A 57 6.256 3.125 -6.208 1.00 0.00 O ATOM 835 CB ASN A 57 5.852 1.154 -8.251 1.00 0.00 C ATOM 836 CG ASN A 57 6.224 1.103 -9.734 1.00 0.00 C ATOM 837 OD1 ASN A 57 7.310 0.696 -10.115 1.00 0.00 O ATOM 838 ND2 ASN A 57 5.267 1.538 -10.548 1.00 0.00 N ATOM 0 H ASN A 57 6.888 0.647 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 57 7.979 0.961 -7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.257 0.278 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.232 2.030 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.419 1.544 -11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.381 1.865 -10.164 1.00 0.00 H new ATOM 845 N THR A 58 8.387 3.203 -6.960 1.00 0.00 N ATOM 846 CA THR A 58 8.633 4.544 -6.456 1.00 0.00 C ATOM 847 C THR A 58 8.248 5.588 -7.507 1.00 0.00 C ATOM 848 O THR A 58 8.934 6.596 -7.667 1.00 0.00 O ATOM 849 CB THR A 58 10.099 4.626 -6.027 1.00 0.00 C ATOM 850 OG1 THR A 58 10.234 5.943 -5.502 1.00 0.00 O ATOM 851 CG2 THR A 58 11.060 4.601 -7.219 1.00 0.00 C ATOM 0 H THR A 58 9.178 2.776 -7.442 1.00 0.00 H new ATOM 0 HA THR A 58 8.012 4.760 -5.586 1.00 0.00 H new ATOM 0 HB THR A 58 10.328 3.797 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.005 6.597 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.087 4.662 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.925 3.674 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.853 5.450 -7.871 1.00 0.00 H new ATOM 859 N LYS A 59 7.150 5.310 -8.196 1.00 0.00 N ATOM 860 CA LYS A 59 6.666 6.212 -9.226 1.00 0.00 C ATOM 861 C LYS A 59 5.546 7.082 -8.650 1.00 0.00 C ATOM 862 O LYS A 59 4.377 6.900 -8.988 1.00 0.00 O ATOM 863 CB LYS A 59 6.254 5.429 -10.474 1.00 0.00 C ATOM 864 CG LYS A 59 5.714 6.365 -11.557 1.00 0.00 C ATOM 865 CD LYS A 59 5.340 5.586 -12.819 1.00 0.00 C ATOM 866 CE LYS A 59 5.780 6.337 -14.078 1.00 0.00 C ATOM 867 NZ LYS A 59 5.524 5.519 -15.284 1.00 0.00 N ATOM 0 H LYS A 59 6.583 4.473 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 59 7.461 6.885 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.111 4.877 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.493 4.694 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.840 6.896 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.464 7.118 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.809 4.602 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.262 5.425 -12.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.242 7.282 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.841 6.578 -14.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.828 6.043 -16.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.056 4.628 -15.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.507 5.311 -15.353 1.00 0.00 H new ATOM 881 N LEU A 60 5.943 8.009 -7.792 1.00 0.00 N ATOM 882 CA LEU A 60 4.989 8.908 -7.166 1.00 0.00 C ATOM 883 C LEU A 60 4.052 9.474 -8.235 1.00 0.00 C ATOM 884 O LEU A 60 4.464 10.294 -9.055 1.00 0.00 O ATOM 885 CB LEU A 60 5.716 9.982 -6.354 1.00 0.00 C ATOM 886 CG LEU A 60 6.987 9.531 -5.632 1.00 0.00 C ATOM 887 CD1 LEU A 60 8.237 9.964 -6.398 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.000 10.029 -4.184 1.00 0.00 C ATOM 0 H LEU A 60 6.913 8.157 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 60 4.369 8.367 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.974 10.803 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.023 10.380 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 60 6.993 8.442 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.126 9.630 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.225 9.520 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.252 11.050 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.914 9.695 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.960 11.118 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.136 9.629 -3.654 1.00 0.00 H new ATOM 900 N ALA A 61 2.810 9.016 -8.190 1.00 0.00 N ATOM 901 CA ALA A 61 1.811 9.466 -9.145 1.00 0.00 C ATOM 902 C ALA A 61 0.944 10.548 -8.497 1.00 0.00 C ATOM 903 O ALA A 61 0.119 10.253 -7.634 1.00 0.00 O ATOM 904 CB ALA A 61 0.988 8.270 -9.626 1.00 0.00 C ATOM 0 H ALA A 61 2.472 8.338 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 61 2.288 9.906 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.239 8.608 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.646 7.544 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.492 7.804 -8.775 1.00 0.00 H new ATOM 910 N ILE A 62 1.161 11.779 -8.939 1.00 0.00 N ATOM 911 CA ILE A 62 0.410 12.905 -8.413 1.00 0.00 C ATOM 912 C ILE A 62 -1.044 12.806 -8.879 1.00 0.00 C ATOM 913 O ILE A 62 -1.968 12.954 -8.081 1.00 0.00 O ATOM 914 CB ILE A 62 1.088 14.224 -8.790 1.00 0.00 C ATOM 915 CG1 ILE A 62 0.429 15.404 -8.073 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.109 14.416 -10.308 1.00 0.00 C ATOM 917 CD1 ILE A 62 0.833 15.443 -6.598 1.00 0.00 C ATOM 0 H ILE A 62 1.846 12.020 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 62 0.398 12.879 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 62 2.125 14.182 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.718 16.336 -8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.655 15.325 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.596 15.361 -10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.658 13.596 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.087 14.428 -10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.351 16.291 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.521 14.519 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.915 15.547 -6.520 1.00 0.00 H new ATOM 929 N ALA A 63 -1.201 12.557 -10.171 1.00 0.00 N ATOM 930 CA ALA A 63 -2.528 12.436 -10.753 1.00 0.00 C ATOM 931 C ALA A 63 -3.436 11.672 -9.788 1.00 0.00 C ATOM 932 O ALA A 63 -3.386 10.444 -9.722 1.00 0.00 O ATOM 933 CB ALA A 63 -2.425 11.755 -12.119 1.00 0.00 C ATOM 0 H ALA A 63 -0.433 12.436 -10.831 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.969 13.420 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.419 11.664 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.793 12.352 -12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.989 10.763 -11.999 1.00 0.00 H new ATOM 939 N PRO A 64 -4.268 12.449 -9.044 1.00 0.00 N ATOM 940 CA PRO A 64 -5.187 11.860 -8.086 1.00 0.00 C ATOM 941 C PRO A 64 -6.374 11.207 -8.795 1.00 0.00 C ATOM 942 O PRO A 64 -6.986 11.813 -9.674 1.00 0.00 O ATOM 943 CB PRO A 64 -5.595 13.006 -7.175 1.00 0.00 C ATOM 944 CG PRO A 64 -5.258 14.280 -7.933 1.00 0.00 C ATOM 945 CD PRO A 64 -4.355 13.906 -9.096 1.00 0.00 C ATOM 0 HA PRO A 64 -4.734 11.054 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.659 12.960 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.059 12.962 -6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.167 14.760 -8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.760 14.994 -7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.771 14.244 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.371 14.365 -8.997 1.00 0.00 H new ATOM 953 N GLY A 65 -6.666 9.981 -8.387 1.00 0.00 N ATOM 954 CA GLY A 65 -7.770 9.240 -8.972 1.00 0.00 C ATOM 955 C GLY A 65 -7.795 7.797 -8.462 1.00 0.00 C ATOM 956 O GLY A 65 -8.574 7.463 -7.572 1.00 0.00 O ATOM 0 H GLY A 65 -6.157 9.482 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.712 9.732 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.680 9.244 -10.058 1.00 0.00 H new ATOM 960 N SER A 66 -6.930 6.982 -9.050 1.00 0.00 N ATOM 961 CA SER A 66 -6.842 5.583 -8.666 1.00 0.00 C ATOM 962 C SER A 66 -5.593 4.950 -9.280 1.00 0.00 C ATOM 963 O SER A 66 -5.608 4.535 -10.438 1.00 0.00 O ATOM 964 CB SER A 66 -8.093 4.815 -9.096 1.00 0.00 C ATOM 965 OG SER A 66 -9.289 5.523 -8.784 1.00 0.00 O ATOM 0 H SER A 66 -6.285 7.264 -9.788 1.00 0.00 H new ATOM 0 HA SER A 66 -6.771 5.530 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.052 4.628 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.108 3.843 -8.603 1.00 0.00 H new ATOM 0 HG SER A 66 -9.192 5.961 -7.913 1.00 0.00 H new ATOM 971 N PHE A 67 -4.540 4.894 -8.477 1.00 0.00 N ATOM 972 CA PHE A 67 -3.285 4.319 -8.928 1.00 0.00 C ATOM 973 C PHE A 67 -3.523 3.023 -9.707 1.00 0.00 C ATOM 974 O PHE A 67 -3.604 3.039 -10.935 1.00 0.00 O ATOM 975 CB PHE A 67 -2.463 4.002 -7.676 1.00 0.00 C ATOM 976 CG PHE A 67 -1.473 5.101 -7.287 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.921 6.247 -6.708 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.144 4.932 -7.521 1.00 0.00 C ATOM 979 CE1 PHE A 67 -1.001 7.267 -6.348 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.776 5.953 -7.160 1.00 0.00 C ATOM 981 CZ PHE A 67 0.328 7.098 -6.581 1.00 0.00 C ATOM 0 H PHE A 67 -4.531 5.238 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.771 5.019 -9.587 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.143 3.828 -6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.915 3.074 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.976 6.381 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.212 4.022 -7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.357 8.177 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.831 5.819 -7.346 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.027 7.874 -6.306 1.00 0.00 H new ATOM 991 N TYR A 68 -3.631 1.933 -8.962 1.00 0.00 N ATOM 992 CA TYR A 68 -3.859 0.633 -9.568 1.00 0.00 C ATOM 993 C TYR A 68 -4.047 -0.445 -8.498 1.00 0.00 C ATOM 994 O TYR A 68 -3.957 -0.162 -7.305 1.00 0.00 O ATOM 995 CB TYR A 68 -2.599 0.317 -10.377 1.00 0.00 C ATOM 996 CG TYR A 68 -1.301 0.431 -9.576 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.025 -0.479 -8.576 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.405 1.443 -9.855 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.197 -0.371 -7.821 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.818 1.550 -9.101 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.058 0.637 -8.122 1.00 0.00 C ATOM 1002 OH TYR A 68 2.213 0.739 -7.410 1.00 0.00 O ATOM 0 H TYR A 68 -3.565 1.924 -7.944 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.758 0.649 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.680 -0.694 -10.776 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.548 0.994 -11.230 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.725 -1.272 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.621 2.155 -10.638 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.424 -1.075 -7.034 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.528 2.337 -9.308 1.00 0.00 H new ATOM 0 HH TYR A 68 2.731 1.505 -7.735 1.00 0.00 H new ATOM 1012 N SER A 69 -4.303 -1.658 -8.965 1.00 0.00 N ATOM 1013 CA SER A 69 -4.505 -2.780 -8.064 1.00 0.00 C ATOM 1014 C SER A 69 -3.519 -3.901 -8.395 1.00 0.00 C ATOM 1015 O SER A 69 -2.703 -3.766 -9.306 1.00 0.00 O ATOM 1016 CB SER A 69 -5.943 -3.298 -8.141 1.00 0.00 C ATOM 1017 OG SER A 69 -6.081 -4.582 -7.538 1.00 0.00 O ATOM 0 H SER A 69 -4.375 -1.889 -9.956 1.00 0.00 H new ATOM 0 HA SER A 69 -4.326 -2.436 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.610 -2.592 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.253 -3.352 -9.184 1.00 0.00 H new ATOM 0 HG SER A 69 -6.944 -4.636 -7.076 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.625 -4.983 -7.638 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.753 -6.127 -7.840 1.00 0.00 C ATOM 1025 C VAL A 70 -3.352 -7.350 -7.141 1.00 0.00 C ATOM 1026 O VAL A 70 -3.872 -7.242 -6.032 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.338 -5.798 -7.361 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.588 -4.962 -8.401 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.370 -5.089 -6.006 1.00 0.00 C ATOM 0 H VAL A 70 -4.302 -5.091 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.675 -6.365 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.799 -6.737 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.415 -4.742 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.520 -5.519 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.124 -4.029 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.352 -4.866 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.934 -4.160 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.847 -5.735 -5.269 1.00 0.00 H new ATOM 1039 N THR A 71 -3.258 -8.485 -7.818 1.00 0.00 N ATOM 1040 CA THR A 71 -3.783 -9.726 -7.276 1.00 0.00 C ATOM 1041 C THR A 71 -2.670 -10.524 -6.596 1.00 0.00 C ATOM 1042 O THR A 71 -1.697 -10.914 -7.241 1.00 0.00 O ATOM 1043 CB THR A 71 -4.469 -10.486 -8.413 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.616 -9.697 -8.716 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.049 -11.826 -7.956 1.00 0.00 C ATOM 0 H THR A 71 -2.826 -8.571 -8.738 1.00 0.00 H new ATOM 0 HA THR A 71 -4.524 -9.536 -6.500 1.00 0.00 H new ATOM 0 HB THR A 71 -3.754 -10.656 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.119 -10.117 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.524 -12.324 -8.801 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.248 -12.455 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.788 -11.655 -7.174 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.849 -10.745 -5.302 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.871 -11.491 -4.527 1.00 0.00 C ATOM 1055 C LEU A 72 -2.343 -12.939 -4.376 1.00 0.00 C ATOM 1056 O LEU A 72 -3.457 -13.276 -4.772 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.596 -10.791 -3.195 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.955 -9.404 -3.285 1.00 0.00 C ATOM 1059 CD1 LEU A 72 0.517 -9.506 -3.691 1.00 0.00 C ATOM 1060 CD2 LEU A 72 -1.747 -8.494 -4.227 1.00 0.00 C ATOM 0 H LEU A 72 -3.657 -10.421 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.914 -11.520 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.538 -10.700 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.947 -11.431 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.986 -8.948 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.949 -8.507 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.059 -10.094 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.593 -9.990 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.270 -7.515 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.770 -8.934 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.766 -8.384 -3.856 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.471 -13.755 -3.802 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.785 -15.157 -3.593 1.00 0.00 C ATOM 1074 C GLY A 73 -0.972 -15.734 -2.431 1.00 0.00 C ATOM 1075 O GLY A 73 -1.539 -16.206 -1.448 1.00 0.00 O ATOM 0 H GLY A 73 -0.547 -13.471 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.850 -15.268 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.576 -15.720 -4.503 1.00 0.00 H new ATOM 1079 N THR A 74 0.343 -15.677 -2.586 1.00 0.00 N ATOM 1080 CA THR A 74 1.238 -16.187 -1.562 1.00 0.00 C ATOM 1081 C THR A 74 0.700 -15.857 -0.168 1.00 0.00 C ATOM 1082 O THR A 74 0.325 -14.716 0.101 1.00 0.00 O ATOM 1083 CB THR A 74 2.632 -15.616 -1.825 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.225 -16.549 -2.724 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.531 -15.669 -0.588 1.00 0.00 C ATOM 0 H THR A 74 0.809 -15.286 -3.405 1.00 0.00 H new ATOM 0 HA THR A 74 1.303 -17.274 -1.601 1.00 0.00 H new ATOM 0 HB THR A 74 2.543 -14.584 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.602 -16.070 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.508 -15.251 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.078 -15.089 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.648 -16.704 -0.267 1.00 0.00 H new ATOM 1093 N PRO A 75 0.678 -16.901 0.703 1.00 0.00 N ATOM 1094 CA PRO A 75 0.191 -16.732 2.062 1.00 0.00 C ATOM 1095 C PRO A 75 1.216 -15.990 2.923 1.00 0.00 C ATOM 1096 O PRO A 75 2.421 -16.136 2.723 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.091 -18.142 2.556 1.00 0.00 C ATOM 1098 CG PRO A 75 0.681 -19.069 1.632 1.00 0.00 C ATOM 1099 CD PRO A 75 1.114 -18.264 0.418 1.00 0.00 C ATOM 0 HA PRO A 75 -0.708 -16.118 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.230 -18.265 3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.158 -18.360 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.549 -19.483 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.059 -19.911 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.193 -18.313 0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.654 -18.644 -0.494 1.00 0.00 H new ATOM 1107 N GLY A 76 0.699 -15.212 3.861 1.00 0.00 N ATOM 1108 CA GLY A 76 1.554 -14.448 4.754 1.00 0.00 C ATOM 1109 C GLY A 76 1.043 -13.013 4.907 1.00 0.00 C ATOM 1110 O GLY A 76 0.019 -12.650 4.330 1.00 0.00 O ATOM 0 H GLY A 76 -0.301 -15.094 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.590 -14.931 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.573 -14.436 4.366 1.00 0.00 H new ATOM 1114 N THR A 77 1.781 -12.237 5.687 1.00 0.00 N ATOM 1115 CA THR A 77 1.416 -10.849 5.923 1.00 0.00 C ATOM 1116 C THR A 77 2.378 -9.913 5.190 1.00 0.00 C ATOM 1117 O THR A 77 3.579 -9.922 5.452 1.00 0.00 O ATOM 1118 CB THR A 77 1.380 -10.621 7.435 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.170 -11.250 7.852 1.00 0.00 O ATOM 1120 CG2 THR A 77 1.179 -9.149 7.800 1.00 0.00 C ATOM 0 H THR A 77 2.630 -12.542 6.164 1.00 0.00 H new ATOM 0 HA THR A 77 0.427 -10.626 5.522 1.00 0.00 H new ATOM 0 HB THR A 77 2.308 -10.982 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.067 -11.151 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.161 -9.042 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.998 -8.558 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.235 -8.797 7.385 1.00 0.00 H new ATOM 1128 N TYR A 78 1.813 -9.127 4.284 1.00 0.00 N ATOM 1129 CA TYR A 78 2.606 -8.185 3.512 1.00 0.00 C ATOM 1130 C TYR A 78 2.611 -6.804 4.169 1.00 0.00 C ATOM 1131 O TYR A 78 1.564 -6.299 4.571 1.00 0.00 O ATOM 1132 CB TYR A 78 1.925 -8.084 2.145 1.00 0.00 C ATOM 1133 CG TYR A 78 2.057 -9.346 1.289 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.536 -10.542 1.738 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.697 -9.286 0.067 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.660 -11.729 0.933 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.820 -10.474 -0.738 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.296 -11.636 -0.266 1.00 0.00 C ATOM 1139 OH TYR A 78 2.413 -12.758 -1.026 1.00 0.00 O ATOM 0 H TYR A 78 0.816 -9.123 4.068 1.00 0.00 H new ATOM 0 HA TYR A 78 3.640 -8.521 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.867 -7.867 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.351 -7.241 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.035 -10.588 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.105 -8.350 -0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.257 -12.672 1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.318 -10.442 -1.696 1.00 0.00 H new ATOM 0 HH TYR A 78 1.718 -13.400 -0.771 1.00 0.00 H new ATOM 1149 N SER A 79 3.803 -6.232 4.258 1.00 0.00 N ATOM 1150 CA SER A 79 3.959 -4.919 4.861 1.00 0.00 C ATOM 1151 C SER A 79 4.475 -3.923 3.819 1.00 0.00 C ATOM 1152 O SER A 79 5.211 -4.298 2.908 1.00 0.00 O ATOM 1153 CB SER A 79 4.908 -4.971 6.059 1.00 0.00 C ATOM 1154 OG SER A 79 6.016 -5.836 5.826 1.00 0.00 O ATOM 0 H SER A 79 4.669 -6.653 3.923 1.00 0.00 H new ATOM 0 HA SER A 79 2.984 -4.590 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.272 -3.967 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.362 -5.310 6.939 1.00 0.00 H new ATOM 0 HG SER A 79 6.599 -5.840 6.614 1.00 0.00 H new ATOM 1160 N PHE A 80 4.067 -2.674 3.988 1.00 0.00 N ATOM 1161 CA PHE A 80 4.479 -1.622 3.074 1.00 0.00 C ATOM 1162 C PHE A 80 4.520 -0.266 3.782 1.00 0.00 C ATOM 1163 O PHE A 80 4.316 -0.187 4.992 1.00 0.00 O ATOM 1164 CB PHE A 80 3.437 -1.570 1.955 1.00 0.00 C ATOM 1165 CG PHE A 80 1.992 -1.501 2.453 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.404 -2.605 2.987 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.295 -0.337 2.362 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.062 -2.542 3.449 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.046 -0.274 2.823 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.634 -1.378 3.357 1.00 0.00 C ATOM 0 H PHE A 80 3.455 -2.367 4.744 1.00 0.00 H new ATOM 0 HA PHE A 80 5.478 -1.831 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.636 -0.701 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.552 -2.452 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.957 -3.530 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.762 0.540 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.405 -3.419 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.599 0.651 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.654 -1.330 3.708 1.00 0.00 H new ATOM 1180 N TYR A 81 4.784 0.767 2.995 1.00 0.00 N ATOM 1181 CA TYR A 81 4.855 2.116 3.532 1.00 0.00 C ATOM 1182 C TYR A 81 4.945 3.149 2.407 1.00 0.00 C ATOM 1183 O TYR A 81 5.229 2.802 1.262 1.00 0.00 O ATOM 1184 CB TYR A 81 6.138 2.173 4.363 1.00 0.00 C ATOM 1185 CG TYR A 81 7.411 1.894 3.563 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.909 2.850 2.702 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.063 0.685 3.704 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.108 2.587 1.949 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.261 0.422 2.950 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.725 1.385 2.110 1.00 0.00 C ATOM 1191 OH TYR A 81 10.857 1.137 1.399 1.00 0.00 O ATOM 0 H TYR A 81 4.951 0.697 1.991 1.00 0.00 H new ATOM 0 HA TYR A 81 3.966 2.342 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.218 3.159 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.065 1.449 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.399 3.796 2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.675 -0.063 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.508 3.327 1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.780 -0.520 3.050 1.00 0.00 H new ATOM 0 HH TYR A 81 11.189 0.241 1.615 1.00 0.00 H new ATOM 1201 N CYS A 82 4.696 4.398 2.772 1.00 0.00 N ATOM 1202 CA CYS A 82 4.745 5.485 1.807 1.00 0.00 C ATOM 1203 C CYS A 82 6.181 6.009 1.749 1.00 0.00 C ATOM 1204 O CYS A 82 6.912 5.941 2.736 1.00 0.00 O ATOM 1205 CB CYS A 82 3.745 6.590 2.150 1.00 0.00 C ATOM 1206 SG CYS A 82 2.882 7.317 0.710 1.00 0.00 S ATOM 0 H CYS A 82 4.460 4.682 3.723 1.00 0.00 H new ATOM 0 HA CYS A 82 4.454 5.117 0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.001 6.187 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.270 7.384 2.680 1.00 0.00 H new ATOM 1211 N THR A 83 6.541 6.524 0.583 1.00 0.00 N ATOM 1212 CA THR A 83 7.876 7.061 0.382 1.00 0.00 C ATOM 1213 C THR A 83 7.983 8.463 0.986 1.00 0.00 C ATOM 1214 O THR A 83 8.887 8.736 1.774 1.00 0.00 O ATOM 1215 CB THR A 83 8.183 7.021 -1.117 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.200 6.030 -1.236 1.00 0.00 O ATOM 1217 CG2 THR A 83 8.852 8.303 -1.613 1.00 0.00 C ATOM 0 H THR A 83 5.931 6.581 -0.233 1.00 0.00 H new ATOM 0 HA THR A 83 8.625 6.460 0.898 1.00 0.00 H new ATOM 0 HB THR A 83 7.259 6.857 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.678 6.152 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.048 8.221 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.194 9.152 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.793 8.451 -1.082 1.00 0.00 H new ATOM 1225 N PRO A 84 7.022 9.338 0.583 1.00 0.00 N ATOM 1226 CA PRO A 84 7.000 10.705 1.075 1.00 0.00 C ATOM 1227 C PRO A 84 6.493 10.759 2.517 1.00 0.00 C ATOM 1228 O PRO A 84 7.092 11.419 3.366 1.00 0.00 O ATOM 1229 CB PRO A 84 6.107 11.458 0.103 1.00 0.00 C ATOM 1230 CG PRO A 84 5.294 10.399 -0.624 1.00 0.00 C ATOM 1231 CD PRO A 84 5.937 9.049 -0.350 1.00 0.00 C ATOM 0 HA PRO A 84 7.992 11.155 1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.456 12.155 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.701 12.044 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.260 10.407 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.273 10.602 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.221 8.349 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.313 8.596 -1.267 1.00 0.00 H new ATOM 1239 N HIS A 85 5.394 10.055 2.752 1.00 0.00 N ATOM 1240 CA HIS A 85 4.800 10.016 4.078 1.00 0.00 C ATOM 1241 C HIS A 85 5.406 8.860 4.877 1.00 0.00 C ATOM 1242 O HIS A 85 4.681 8.067 5.474 1.00 0.00 O ATOM 1243 CB HIS A 85 3.275 9.938 3.987 1.00 0.00 C ATOM 1244 CG HIS A 85 2.663 10.957 3.055 1.00 0.00 C ATOM 1245 ND1 HIS A 85 1.990 10.606 1.897 1.00 0.00 N ATOM 1246 CD2 HIS A 85 2.629 12.319 3.122 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.574 11.714 1.302 1.00 0.00 C ATOM 1248 NE2 HIS A 85 1.972 12.775 2.063 1.00 0.00 N ATOM 0 H HIS A 85 4.900 9.508 2.047 1.00 0.00 H new ATOM 0 HA HIS A 85 5.028 10.939 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.992 8.940 3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.854 10.073 4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.063 12.924 3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.018 11.768 0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.794 13.757 1.852 1.00 0.00 H new ATOM 1256 N ARG A 86 6.729 8.802 4.863 1.00 0.00 N ATOM 1257 CA ARG A 86 7.440 7.758 5.579 1.00 0.00 C ATOM 1258 C ARG A 86 7.604 8.139 7.051 1.00 0.00 C ATOM 1259 O ARG A 86 7.632 7.271 7.922 1.00 0.00 O ATOM 1260 CB ARG A 86 8.821 7.512 4.966 1.00 0.00 C ATOM 1261 CG ARG A 86 9.748 8.706 5.205 1.00 0.00 C ATOM 1262 CD ARG A 86 10.981 8.632 4.304 1.00 0.00 C ATOM 1263 NE ARG A 86 11.551 9.984 4.113 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.800 10.221 3.691 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.619 9.197 3.413 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.232 11.481 3.547 1.00 0.00 N ATOM 0 H ARG A 86 7.328 9.462 4.366 1.00 0.00 H new ATOM 0 HA ARG A 86 6.852 6.844 5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.260 6.614 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.721 7.333 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.209 9.634 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.058 8.727 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.727 7.973 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.711 8.203 3.339 1.00 0.00 H new ATOM 0 HE ARG A 86 10.955 10.787 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.291 8.237 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.570 9.377 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.610 12.261 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.183 11.660 3.226 1.00 0.00 H new ATOM 1280 N GLY A 87 7.707 9.440 7.284 1.00 0.00 N ATOM 1281 CA GLY A 87 7.867 9.947 8.636 1.00 0.00 C ATOM 1282 C GLY A 87 6.526 10.406 9.211 1.00 0.00 C ATOM 1283 O GLY A 87 6.364 10.492 10.427 1.00 0.00 O ATOM 0 H GLY A 87 7.683 10.157 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.293 9.170 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.571 10.779 8.635 1.00 0.00 H new ATOM 1287 N ALA A 88 5.597 10.690 8.309 1.00 0.00 N ATOM 1288 CA ALA A 88 4.275 11.138 8.712 1.00 0.00 C ATOM 1289 C ALA A 88 3.549 9.995 9.424 1.00 0.00 C ATOM 1290 O ALA A 88 2.522 10.212 10.065 1.00 0.00 O ATOM 1291 CB ALA A 88 3.511 11.640 7.485 1.00 0.00 C ATOM 0 H ALA A 88 5.734 10.618 7.301 1.00 0.00 H new ATOM 0 HA ALA A 88 4.348 11.969 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.519 11.976 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.054 12.470 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.415 10.832 6.760 1.00 0.00 H new ATOM 1297 N GLY A 89 4.112 8.804 9.288 1.00 0.00 N ATOM 1298 CA GLY A 89 3.530 7.626 9.911 1.00 0.00 C ATOM 1299 C GLY A 89 2.423 7.033 9.037 1.00 0.00 C ATOM 1300 O GLY A 89 1.271 6.946 9.462 1.00 0.00 O ATOM 0 H GLY A 89 4.964 8.628 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.305 6.878 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.125 7.890 10.888 1.00 0.00 H new ATOM 1304 N MET A 90 2.810 6.643 7.831 1.00 0.00 N ATOM 1305 CA MET A 90 1.863 6.061 6.894 1.00 0.00 C ATOM 1306 C MET A 90 2.269 4.635 6.520 1.00 0.00 C ATOM 1307 O MET A 90 2.873 4.411 5.472 1.00 0.00 O ATOM 1308 CB MET A 90 1.802 6.922 5.631 1.00 0.00 C ATOM 1309 CG MET A 90 0.812 6.341 4.620 1.00 0.00 C ATOM 1310 SD MET A 90 -0.011 7.662 3.743 1.00 0.00 S ATOM 1311 CE MET A 90 -0.735 6.737 2.399 1.00 0.00 C ATOM 0 H MET A 90 3.765 6.718 7.481 1.00 0.00 H new ATOM 0 HA MET A 90 0.883 6.027 7.370 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.506 7.938 5.893 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.793 6.985 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.336 5.696 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.077 5.721 5.133 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.390 7.388 1.820 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.056 6.352 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.313 5.905 2.800 1.00 0.00 H new ATOM 1321 N VAL A 91 1.921 3.705 7.398 1.00 0.00 N ATOM 1322 CA VAL A 91 2.241 2.305 7.174 1.00 0.00 C ATOM 1323 C VAL A 91 0.948 1.524 6.933 1.00 0.00 C ATOM 1324 O VAL A 91 -0.144 2.085 7.008 1.00 0.00 O ATOM 1325 CB VAL A 91 3.059 1.762 8.346 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.026 0.670 7.880 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.808 2.887 9.062 1.00 0.00 C ATOM 0 H VAL A 91 1.420 3.894 8.266 1.00 0.00 H new ATOM 0 HA VAL A 91 2.860 2.191 6.284 1.00 0.00 H new ATOM 0 HB VAL A 91 2.366 1.315 9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.596 0.301 8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.462 -0.151 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.710 1.082 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.381 2.472 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.485 3.377 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.092 3.615 9.444 1.00 0.00 H new ATOM 1337 N GLY A 92 1.114 0.240 6.650 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.026 -0.625 6.398 1.00 0.00 C ATOM 1339 C GLY A 92 0.402 -2.092 6.335 1.00 0.00 C ATOM 1340 O GLY A 92 1.589 -2.402 6.435 1.00 0.00 O ATOM 0 H GLY A 92 2.021 -0.222 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.768 -0.493 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.502 -0.341 5.460 1.00 0.00 H new ATOM 1344 N THR A 93 -0.588 -2.958 6.172 1.00 0.00 N ATOM 1345 CA THR A 93 -0.328 -4.385 6.095 1.00 0.00 C ATOM 1346 C THR A 93 -1.420 -5.083 5.281 1.00 0.00 C ATOM 1347 O THR A 93 -2.500 -4.529 5.081 1.00 0.00 O ATOM 1348 CB THR A 93 -0.199 -4.920 7.523 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.455 -3.869 8.229 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.773 -6.098 7.622 1.00 0.00 C ATOM 0 H THR A 93 -1.571 -2.698 6.091 1.00 0.00 H new ATOM 0 HA THR A 93 0.605 -4.589 5.570 1.00 0.00 H new ATOM 0 HB THR A 93 -1.180 -5.228 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.578 -4.131 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.827 -6.439 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.422 -6.913 6.989 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.763 -5.782 7.292 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.102 -6.289 4.835 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.042 -7.068 4.048 1.00 0.00 C ATOM 1360 C ILE A 94 -1.769 -8.558 4.263 1.00 0.00 C ATOM 1361 O ILE A 94 -0.660 -9.031 4.020 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.996 -6.639 2.580 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.471 -5.194 2.416 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.790 -7.608 1.701 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.464 -4.779 0.942 1.00 0.00 C ATOM 0 H ILE A 94 -0.206 -6.746 5.004 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.064 -6.880 4.379 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.959 -6.676 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.477 -5.090 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.825 -4.528 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.741 -7.280 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.365 -8.608 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.830 -7.627 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.806 -3.748 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.452 -4.861 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.129 -5.432 0.377 1.00 0.00 H new ATOM 1377 N THR A 95 -2.800 -9.257 4.716 1.00 0.00 N ATOM 1378 CA THR A 95 -2.684 -10.683 4.966 1.00 0.00 C ATOM 1379 C THR A 95 -3.375 -11.477 3.855 1.00 0.00 C ATOM 1380 O THR A 95 -4.380 -11.033 3.301 1.00 0.00 O ATOM 1381 CB THR A 95 -3.253 -10.966 6.359 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.435 -10.192 7.231 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.014 -12.410 6.806 1.00 0.00 C ATOM 0 H THR A 95 -3.719 -8.862 4.916 1.00 0.00 H new ATOM 0 HA THR A 95 -1.642 -11.004 4.952 1.00 0.00 H new ATOM 0 HB THR A 95 -4.323 -10.757 6.364 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.580 -10.650 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.437 -12.558 7.800 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.492 -13.092 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.943 -12.610 6.834 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.808 -12.638 3.562 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.356 -13.498 2.526 1.00 0.00 C ATOM 1393 C VAL A 96 -3.587 -14.897 3.100 1.00 0.00 C ATOM 1394 O VAL A 96 -2.836 -15.826 2.803 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.437 -13.497 1.304 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.650 -14.752 0.456 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.636 -12.230 0.469 1.00 0.00 C ATOM 0 H VAL A 96 -1.975 -13.003 4.023 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.322 -13.122 2.189 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.407 -13.505 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.984 -14.726 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.434 -15.637 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.684 -14.789 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.970 -12.255 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.670 -12.177 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.409 -11.354 1.077 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.628 -15.005 3.913 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.965 -16.275 4.532 1.00 0.00 C ATOM 1409 C GLU A 97 -5.760 -17.145 3.556 1.00 0.00 C ATOM 1410 O GLU A 97 -6.974 -16.992 3.429 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.742 -16.062 5.833 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.002 -16.682 7.021 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.630 -16.247 8.347 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -5.774 -15.019 8.530 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.952 -17.152 9.145 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.043 -18.041 2.893 1.00 0.00 O ATOM 0 H GLU A 97 -5.249 -14.233 4.157 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.039 -16.793 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.885 -14.995 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.734 -16.506 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.027 -17.769 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.954 -16.384 6.996 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.201 8.857 1.329 1.00 0.00 CU