USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -0.494 K(o=-0.49,f=-2!) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 40 CYS SG : rot -2:sc= 0.997 USER MOD Set 2.2: A 59 TYR OH : rot -43:sc= 0.218 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 8 MET CE :methyl 163:sc= -0.596 (180deg=-0.964) USER MOD Single : A 9 SER OG : rot 27:sc= 0.605 USER MOD Single : A 10 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -4.32 K(o=-4.3,f=-1.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00363 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00641 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.26) USER MOD Single : A 35 CYS SG : rot 180:sc= -4.36 USER MOD Single : A 36 MET CE :methyl -176:sc= -1.38 (180deg=-1.46) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 150:sc= -0.474 (180deg=-2.69!) USER MOD Single : A 43 TYR OH : rot 40:sc= 0.00303 USER MOD Single : A 46 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.092) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -149:sc= -0.278 (180deg=-1.9!) USER MOD Single : A 51 ASN : amide:sc= -0.964 K(o=-0.96,f=-0.36) USER MOD Single : A 53 ASN : amide:sc= 0.124! C(o=0.12!,f=-7!) USER MOD Single : A 54 SER OG : rot 48:sc= -1.31 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.2) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 76 CYS SG : rot 116:sc= -9.14! USER MOD Single : A 79 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 83 THR OG1 : rot 166:sc= -3.17! USER MOD Single : A 84 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.48) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.99) USER MOD Single : A 91 LYS NZ :NH3+ -99:sc= 0.00274 (180deg=-0.428) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0.103 (180deg=-0.123) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.13) USER MOD Single : A 107 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.0055) USER MOD Single : A 108 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.48) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.651 24.373 24.860 1.00 0.00 N ATOM 2 CA GLY A 1 7.741 25.411 24.404 1.00 0.00 C ATOM 3 C GLY A 1 7.200 25.092 23.009 1.00 0.00 C ATOM 4 O GLY A 1 7.940 25.138 22.027 1.00 0.00 O ATOM 0 H1 GLY A 1 9.004 24.613 25.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.149 23.463 24.897 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.452 24.299 24.201 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.913 25.507 25.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.258 26.371 24.387 1.00 0.00 H new ATOM 8 N SER A 2 5.914 24.775 22.966 1.00 0.00 N ATOM 9 CA SER A 2 5.266 24.448 21.707 1.00 0.00 C ATOM 10 C SER A 2 5.679 23.047 21.254 1.00 0.00 C ATOM 11 O SER A 2 4.832 22.170 21.086 1.00 0.00 O ATOM 12 CB SER A 2 5.608 25.477 20.628 1.00 0.00 C ATOM 13 OG SER A 2 4.592 25.565 19.633 1.00 0.00 O ATOM 0 H SER A 2 5.304 24.738 23.782 1.00 0.00 H new ATOM 0 HA SER A 2 4.187 24.469 21.862 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.748 26.454 21.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.554 25.208 20.158 1.00 0.00 H new ATOM 0 HG SER A 2 4.847 26.234 18.963 1.00 0.00 H new ATOM 19 N GLU A 3 6.980 22.879 21.069 1.00 0.00 N ATOM 20 CA GLU A 3 7.515 21.598 20.639 1.00 0.00 C ATOM 21 C GLU A 3 6.719 21.063 19.447 1.00 0.00 C ATOM 22 O GLU A 3 5.929 20.131 19.592 1.00 0.00 O ATOM 23 CB GLU A 3 7.522 20.591 21.791 1.00 0.00 C ATOM 24 CG GLU A 3 8.941 20.098 22.080 1.00 0.00 C ATOM 25 CD GLU A 3 9.009 19.387 23.433 1.00 0.00 C ATOM 26 OE1 GLU A 3 8.321 19.865 24.360 1.00 0.00 O ATOM 27 OE2 GLU A 3 9.748 18.382 23.509 1.00 0.00 O ATOM 0 H GLU A 3 7.679 23.608 21.209 1.00 0.00 H new ATOM 0 HA GLU A 3 8.548 21.746 20.324 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.105 21.054 22.685 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.883 19.744 21.542 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.261 19.418 21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.631 20.941 22.073 1.00 0.00 H new ATOM 34 N GLY A 4 6.953 21.676 18.296 1.00 0.00 N ATOM 35 CA GLY A 4 6.267 21.273 17.080 1.00 0.00 C ATOM 36 C GLY A 4 7.158 21.480 15.854 1.00 0.00 C ATOM 37 O GLY A 4 7.364 22.611 15.416 1.00 0.00 O ATOM 0 H GLY A 4 7.608 22.449 18.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.978 20.224 17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.349 21.849 16.968 1.00 0.00 H new ATOM 41 N ALA A 5 7.663 20.371 15.334 1.00 0.00 N ATOM 42 CA ALA A 5 8.527 20.416 14.167 1.00 0.00 C ATOM 43 C ALA A 5 8.764 18.993 13.657 1.00 0.00 C ATOM 44 O ALA A 5 9.549 18.245 14.238 1.00 0.00 O ATOM 45 CB ALA A 5 9.830 21.133 14.524 1.00 0.00 C ATOM 0 H ALA A 5 7.490 19.435 15.700 1.00 0.00 H new ATOM 0 HA ALA A 5 8.055 20.979 13.362 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.478 21.167 13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.608 22.149 14.851 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.333 20.595 15.327 1.00 0.00 H new ATOM 51 N ALA A 6 8.071 18.662 12.577 1.00 0.00 N ATOM 52 CA ALA A 6 8.197 17.342 11.983 1.00 0.00 C ATOM 53 C ALA A 6 8.210 17.473 10.459 1.00 0.00 C ATOM 54 O ALA A 6 7.304 18.068 9.876 1.00 0.00 O ATOM 55 CB ALA A 6 7.061 16.447 12.482 1.00 0.00 C ATOM 0 H ALA A 6 7.421 19.285 12.098 1.00 0.00 H new ATOM 0 HA ALA A 6 9.135 16.874 12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.155 15.457 12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.114 16.363 13.567 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.103 16.883 12.198 1.00 0.00 H new ATOM 61 N THR A 7 9.246 16.908 9.857 1.00 0.00 N ATOM 62 CA THR A 7 9.388 16.954 8.411 1.00 0.00 C ATOM 63 C THR A 7 8.506 15.890 7.755 1.00 0.00 C ATOM 64 O THR A 7 8.327 14.803 8.302 1.00 0.00 O ATOM 65 CB THR A 7 10.873 16.803 8.078 1.00 0.00 C ATOM 66 OG1 THR A 7 11.244 15.572 8.694 1.00 0.00 O ATOM 67 CG2 THR A 7 11.741 17.848 8.781 1.00 0.00 C ATOM 0 H THR A 7 9.995 16.416 10.344 1.00 0.00 H new ATOM 0 HA THR A 7 9.045 17.907 8.009 1.00 0.00 H new ATOM 0 HB THR A 7 11.012 16.882 7.000 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.193 15.395 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.786 17.695 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.429 18.846 8.474 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.628 17.748 9.861 1.00 0.00 H new ATOM 75 N MET A 8 7.979 16.240 6.591 1.00 0.00 N ATOM 76 CA MET A 8 7.121 15.328 5.853 1.00 0.00 C ATOM 77 C MET A 8 7.942 14.234 5.168 1.00 0.00 C ATOM 78 O MET A 8 9.061 14.481 4.721 1.00 0.00 O ATOM 79 CB MET A 8 6.332 16.109 4.800 1.00 0.00 C ATOM 80 CG MET A 8 5.188 16.895 5.444 1.00 0.00 C ATOM 81 SD MET A 8 3.646 16.503 4.634 1.00 0.00 S ATOM 82 CE MET A 8 3.251 14.964 5.449 1.00 0.00 C ATOM 0 H MET A 8 8.129 17.143 6.140 1.00 0.00 H new ATOM 0 HA MET A 8 6.436 14.855 6.557 1.00 0.00 H new ATOM 0 HB2 MET A 8 6.998 16.794 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.931 15.421 4.056 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.122 16.654 6.505 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.385 17.965 5.372 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.197 14.731 5.296 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.864 14.164 5.033 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.451 15.056 6.517 1.00 0.00 H new ATOM 92 N SER A 9 7.356 13.048 5.109 1.00 0.00 N ATOM 93 CA SER A 9 8.019 11.915 4.486 1.00 0.00 C ATOM 94 C SER A 9 7.253 10.627 4.792 1.00 0.00 C ATOM 95 O SER A 9 6.220 10.658 5.459 1.00 0.00 O ATOM 96 CB SER A 9 9.468 11.796 4.962 1.00 0.00 C ATOM 97 OG SER A 9 10.397 12.009 3.902 1.00 0.00 O ATOM 0 H SER A 9 6.429 12.846 5.483 1.00 0.00 H new ATOM 0 HA SER A 9 8.030 12.076 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.650 12.521 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.629 10.807 5.392 1.00 0.00 H new ATOM 0 HG SER A 9 9.988 12.580 3.219 1.00 0.00 H new ATOM 103 N HIS A 10 7.788 9.524 4.289 1.00 0.00 N ATOM 104 CA HIS A 10 7.167 8.227 4.500 1.00 0.00 C ATOM 105 C HIS A 10 5.784 8.208 3.846 1.00 0.00 C ATOM 106 O HIS A 10 5.312 9.232 3.354 1.00 0.00 O ATOM 107 CB HIS A 10 7.124 7.882 5.990 1.00 0.00 C ATOM 108 CG HIS A 10 8.482 7.641 6.604 1.00 0.00 C ATOM 109 ND1 HIS A 10 8.688 7.594 7.972 1.00 0.00 N ATOM 110 CD2 HIS A 10 9.698 7.432 6.024 1.00 0.00 C ATOM 111 CE1 HIS A 10 9.975 7.368 8.193 1.00 0.00 C ATOM 112 NE2 HIS A 10 10.599 7.269 6.985 1.00 0.00 N ATOM 0 H HIS A 10 8.645 9.502 3.736 1.00 0.00 H new ATOM 0 HA HIS A 10 7.766 7.451 4.024 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.633 8.694 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.511 6.992 6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.895 7.404 4.962 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.447 7.278 9.160 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.594 7.098 6.843 1.00 0.00 H new ATOM 120 N THR A 11 5.174 7.032 3.861 1.00 0.00 N ATOM 121 CA THR A 11 3.855 6.866 3.276 1.00 0.00 C ATOM 122 C THR A 11 2.771 7.092 4.331 1.00 0.00 C ATOM 123 O THR A 11 2.837 6.531 5.424 1.00 0.00 O ATOM 124 CB THR A 11 3.795 5.480 2.631 1.00 0.00 C ATOM 125 OG1 THR A 11 4.862 5.490 1.686 1.00 0.00 O ATOM 126 CG2 THR A 11 2.541 5.286 1.775 1.00 0.00 C ATOM 0 H THR A 11 5.569 6.185 4.269 1.00 0.00 H new ATOM 0 HA THR A 11 3.670 7.610 2.501 1.00 0.00 H new ATOM 0 HB THR A 11 3.826 4.717 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.897 4.627 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.548 4.286 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.654 5.405 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.527 6.028 0.977 1.00 0.00 H new ATOM 134 N ILE A 12 1.798 7.914 3.968 1.00 0.00 N ATOM 135 CA ILE A 12 0.701 8.222 4.870 1.00 0.00 C ATOM 136 C ILE A 12 -0.501 7.340 4.523 1.00 0.00 C ATOM 137 O ILE A 12 -0.958 7.329 3.381 1.00 0.00 O ATOM 138 CB ILE A 12 0.392 9.720 4.847 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.668 10.546 5.023 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.670 10.077 5.889 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.436 12.005 4.626 1.00 0.00 C ATOM 0 H ILE A 12 1.746 8.377 3.061 1.00 0.00 H new ATOM 0 HA ILE A 12 0.978 7.994 5.899 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.020 9.969 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.998 10.496 6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.467 10.122 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.871 11.148 5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.587 9.528 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.309 9.810 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.358 12.570 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.130 12.053 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.654 12.433 5.253 1.00 0.00 H new ATOM 153 N LEU A 13 -0.978 6.623 5.530 1.00 0.00 N ATOM 154 CA LEU A 13 -2.118 5.741 5.345 1.00 0.00 C ATOM 155 C LEU A 13 -3.241 6.160 6.297 1.00 0.00 C ATOM 156 O LEU A 13 -3.039 6.230 7.508 1.00 0.00 O ATOM 157 CB LEU A 13 -1.695 4.279 5.500 1.00 0.00 C ATOM 158 CG LEU A 13 -2.652 3.238 4.917 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.613 2.716 5.987 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.396 3.797 3.702 1.00 0.00 C ATOM 0 H LEU A 13 -0.596 6.635 6.476 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.508 5.830 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.720 4.152 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.565 4.070 6.562 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.063 2.388 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.282 1.977 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.043 2.254 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.199 3.544 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.070 3.037 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.972 4.673 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.677 4.080 2.933 1.00 0.00 H new ATOM 172 N LEU A 14 -4.399 6.428 5.712 1.00 0.00 N ATOM 173 CA LEU A 14 -5.554 6.838 6.493 1.00 0.00 C ATOM 174 C LEU A 14 -6.773 6.019 6.062 1.00 0.00 C ATOM 175 O LEU A 14 -6.651 5.092 5.263 1.00 0.00 O ATOM 176 CB LEU A 14 -5.762 8.350 6.388 1.00 0.00 C ATOM 177 CG LEU A 14 -5.052 9.046 5.225 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.540 9.091 5.454 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.410 8.388 3.891 1.00 0.00 C ATOM 0 H LEU A 14 -4.562 6.369 4.707 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.390 6.634 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.831 8.545 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.427 8.808 7.319 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.402 10.077 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.059 9.591 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.327 9.639 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.155 8.075 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.892 8.902 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.107 7.341 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.486 8.452 3.731 1.00 0.00 H new ATOM 191 N VAL A 15 -7.920 6.391 6.611 1.00 0.00 N ATOM 192 CA VAL A 15 -9.159 5.702 6.294 1.00 0.00 C ATOM 193 C VAL A 15 -10.340 6.639 6.556 1.00 0.00 C ATOM 194 O VAL A 15 -10.325 7.409 7.515 1.00 0.00 O ATOM 195 CB VAL A 15 -9.248 4.394 7.082 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.696 4.080 7.464 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.625 3.238 6.297 1.00 0.00 C ATOM 0 H VAL A 15 -8.017 7.161 7.273 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.186 5.432 5.238 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.679 4.519 8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.730 3.145 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.093 4.886 8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.298 3.984 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.701 2.320 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.154 3.113 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.575 3.456 6.100 1.00 0.00 H new ATOM 207 N GLN A 16 -11.335 6.543 5.686 1.00 0.00 N ATOM 208 CA GLN A 16 -12.521 7.373 5.811 1.00 0.00 C ATOM 209 C GLN A 16 -13.765 6.588 5.389 1.00 0.00 C ATOM 210 O GLN A 16 -14.091 6.525 4.205 1.00 0.00 O ATOM 211 CB GLN A 16 -12.380 8.658 4.994 1.00 0.00 C ATOM 212 CG GLN A 16 -13.655 9.501 5.074 1.00 0.00 C ATOM 213 CD GLN A 16 -13.920 9.958 6.510 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.472 11.005 6.948 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.672 9.118 7.215 1.00 0.00 N ATOM 0 H GLN A 16 -11.344 5.903 4.892 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.633 7.658 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.533 9.237 5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.168 8.411 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.562 10.370 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.503 8.920 4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.015 8.258 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.906 9.334 8.184 1.00 0.00 H new ATOM 224 N PRO A 17 -14.442 5.993 6.408 1.00 0.00 N ATOM 225 CA PRO A 17 -15.643 5.215 6.154 1.00 0.00 C ATOM 226 C PRO A 17 -16.833 6.126 5.848 1.00 0.00 C ATOM 227 O PRO A 17 -17.536 5.925 4.859 1.00 0.00 O ATOM 228 CB PRO A 17 -15.842 4.378 7.408 1.00 0.00 C ATOM 229 CG PRO A 17 -15.021 5.054 8.494 1.00 0.00 C ATOM 230 CD PRO A 17 -14.085 6.046 7.822 1.00 0.00 C ATOM 0 HA PRO A 17 -15.552 4.577 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.895 4.334 7.685 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.511 3.352 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.673 5.564 9.203 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.452 4.315 9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -14.216 7.050 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.041 5.773 7.977 1.00 0.00 H new ATOM 238 N THR A 18 -17.022 7.110 6.716 1.00 0.00 N ATOM 239 CA THR A 18 -18.115 8.053 6.551 1.00 0.00 C ATOM 240 C THR A 18 -17.576 9.431 6.159 1.00 0.00 C ATOM 241 O THR A 18 -16.617 9.532 5.396 1.00 0.00 O ATOM 242 CB THR A 18 -18.929 8.065 7.846 1.00 0.00 C ATOM 243 OG1 THR A 18 -18.017 8.556 8.825 1.00 0.00 O ATOM 244 CG2 THR A 18 -19.274 6.656 8.334 1.00 0.00 C ATOM 0 H THR A 18 -16.437 7.274 7.535 1.00 0.00 H new ATOM 0 HA THR A 18 -18.776 7.754 5.738 1.00 0.00 H new ATOM 0 HB THR A 18 -19.847 8.631 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.464 8.598 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.852 6.722 9.256 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.861 6.141 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.355 6.100 8.521 1.00 0.00 H new ATOM 252 N LYS A 19 -18.216 10.457 6.700 1.00 0.00 N ATOM 253 CA LYS A 19 -17.813 11.824 6.417 1.00 0.00 C ATOM 254 C LYS A 19 -17.696 12.599 7.731 1.00 0.00 C ATOM 255 O LYS A 19 -17.974 13.796 7.776 1.00 0.00 O ATOM 256 CB LYS A 19 -18.767 12.465 5.408 1.00 0.00 C ATOM 257 CG LYS A 19 -18.103 12.604 4.037 1.00 0.00 C ATOM 258 CD LYS A 19 -18.846 11.783 2.981 1.00 0.00 C ATOM 259 CE LYS A 19 -17.909 11.378 1.841 1.00 0.00 C ATOM 260 NZ LYS A 19 -18.634 11.372 0.551 1.00 0.00 N ATOM 0 H LYS A 19 -19.011 10.369 7.333 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.830 11.842 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.669 11.859 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.076 13.446 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.087 13.653 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.066 12.273 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.271 10.891 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.678 12.364 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.069 12.071 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.495 10.389 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.983 11.095 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.421 10.694 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.008 12.323 0.359 1.00 0.00 H new ATOM 274 N ARG A 20 -17.284 11.884 8.768 1.00 0.00 N ATOM 275 CA ARG A 20 -17.127 12.490 10.079 1.00 0.00 C ATOM 276 C ARG A 20 -15.646 12.559 10.458 1.00 0.00 C ATOM 277 O ARG A 20 -14.860 11.700 10.062 1.00 0.00 O ATOM 278 CB ARG A 20 -17.883 11.697 11.147 1.00 0.00 C ATOM 279 CG ARG A 20 -19.383 11.664 10.846 1.00 0.00 C ATOM 280 CD ARG A 20 -20.060 12.962 11.291 1.00 0.00 C ATOM 281 NE ARG A 20 -21.508 12.906 10.990 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.389 12.166 11.676 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.976 11.414 12.705 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.684 12.177 11.332 1.00 0.00 N ATOM 0 H ARG A 20 -17.054 10.891 8.727 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.541 13.497 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.495 10.679 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.715 12.146 12.126 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.540 11.515 9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.841 10.817 11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.908 13.113 12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.607 13.812 10.781 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.857 13.466 10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.990 11.405 12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.647 10.851 13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.999 12.749 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.355 11.614 11.854 1.00 0.00 H new ATOM 298 N PRO A 21 -15.302 13.617 11.240 1.00 0.00 N ATOM 299 CA PRO A 21 -13.929 13.810 11.676 1.00 0.00 C ATOM 300 C PRO A 21 -13.564 12.824 12.788 1.00 0.00 C ATOM 301 O PRO A 21 -12.398 12.708 13.161 1.00 0.00 O ATOM 302 CB PRO A 21 -13.858 15.261 12.122 1.00 0.00 C ATOM 303 CG PRO A 21 -15.295 15.696 12.356 1.00 0.00 C ATOM 304 CD PRO A 21 -16.206 14.654 11.727 1.00 0.00 C ATOM 0 HA PRO A 21 -13.205 13.615 10.885 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.267 15.361 13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.381 15.880 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.498 15.786 13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.474 16.676 11.914 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.912 14.254 12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.794 15.081 10.914 1.00 0.00 H new ATOM 312 N GLU A 22 -14.583 12.140 13.287 1.00 0.00 N ATOM 313 CA GLU A 22 -14.384 11.168 14.349 1.00 0.00 C ATOM 314 C GLU A 22 -14.007 9.808 13.759 1.00 0.00 C ATOM 315 O GLU A 22 -13.644 8.889 14.492 1.00 0.00 O ATOM 316 CB GLU A 22 -15.629 11.058 15.231 1.00 0.00 C ATOM 317 CG GLU A 22 -16.712 10.219 14.548 1.00 0.00 C ATOM 318 CD GLU A 22 -18.099 10.827 14.772 1.00 0.00 C ATOM 319 OE1 GLU A 22 -18.190 12.072 14.704 1.00 0.00 O ATOM 320 OE2 GLU A 22 -19.035 10.033 15.006 1.00 0.00 O ATOM 0 H GLU A 22 -15.549 12.240 12.976 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.562 11.509 14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.363 10.607 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.017 12.054 15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.507 10.155 13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.689 9.202 14.939 1.00 0.00 H new ATOM 327 N GLY A 23 -14.107 9.721 12.441 1.00 0.00 N ATOM 328 CA GLY A 23 -13.780 8.488 11.745 1.00 0.00 C ATOM 329 C GLY A 23 -12.788 8.746 10.609 1.00 0.00 C ATOM 330 O GLY A 23 -13.108 8.534 9.441 1.00 0.00 O ATOM 0 H GLY A 23 -14.410 10.485 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.355 7.771 12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.689 8.040 11.344 1.00 0.00 H new ATOM 334 N ARG A 24 -11.604 9.200 10.992 1.00 0.00 N ATOM 335 CA ARG A 24 -10.563 9.488 10.021 1.00 0.00 C ATOM 336 C ARG A 24 -9.215 9.666 10.724 1.00 0.00 C ATOM 337 O ARG A 24 -8.946 10.719 11.299 1.00 0.00 O ATOM 338 CB ARG A 24 -10.887 10.755 9.226 1.00 0.00 C ATOM 339 CG ARG A 24 -11.233 11.915 10.161 1.00 0.00 C ATOM 340 CD ARG A 24 -10.093 12.935 10.215 1.00 0.00 C ATOM 341 NE ARG A 24 -10.621 14.297 9.976 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.857 15.356 9.677 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.528 15.218 9.579 1.00 0.00 N ATOM 344 NH2 ARG A 24 -10.422 16.554 9.476 1.00 0.00 N ATOM 0 H ARG A 24 -11.343 9.376 11.962 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.509 8.644 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.034 11.026 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.723 10.563 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.146 12.402 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.432 11.533 11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.601 12.892 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.340 12.691 9.466 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.629 14.438 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.097 14.306 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.947 16.025 9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.434 16.660 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.840 17.360 9.248 1.00 0.00 H new ATOM 358 N THR A 25 -8.405 8.621 10.653 1.00 0.00 N ATOM 359 CA THR A 25 -7.092 8.648 11.276 1.00 0.00 C ATOM 360 C THR A 25 -6.005 8.352 10.241 1.00 0.00 C ATOM 361 O THR A 25 -6.237 7.612 9.286 1.00 0.00 O ATOM 362 CB THR A 25 -7.102 7.662 12.445 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.770 7.705 12.948 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.281 6.213 11.987 1.00 0.00 C ATOM 0 H THR A 25 -8.632 7.750 10.174 1.00 0.00 H new ATOM 0 HA THR A 25 -6.862 9.638 11.670 1.00 0.00 H new ATOM 0 HB THR A 25 -7.903 7.926 13.135 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.688 7.095 13.711 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.281 5.554 12.855 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.228 6.114 11.456 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.462 5.938 11.323 1.00 0.00 H new ATOM 372 N TYR A 26 -4.842 8.945 10.465 1.00 0.00 N ATOM 373 CA TYR A 26 -3.718 8.754 9.564 1.00 0.00 C ATOM 374 C TYR A 26 -2.622 7.915 10.224 1.00 0.00 C ATOM 375 O TYR A 26 -2.624 7.730 11.440 1.00 0.00 O ATOM 376 CB TYR A 26 -3.168 10.152 9.274 1.00 0.00 C ATOM 377 CG TYR A 26 -3.951 10.920 8.207 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.330 10.957 8.256 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.279 11.575 7.196 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.067 11.679 7.252 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.016 12.298 6.192 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.373 12.314 6.269 1.00 0.00 C ATOM 383 OH TYR A 26 -6.069 12.997 5.321 1.00 0.00 O ATOM 0 H TYR A 26 -4.653 9.558 11.258 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.035 8.233 8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.169 10.731 10.198 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.130 10.064 8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.856 10.444 9.048 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.200 11.546 7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.146 11.716 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.502 12.816 5.396 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.444 13.401 4.684 1.00 0.00 H new ATOM 393 N ALA A 27 -1.712 7.430 9.393 1.00 0.00 N ATOM 394 CA ALA A 27 -0.612 6.614 9.881 1.00 0.00 C ATOM 395 C ALA A 27 0.626 6.867 9.019 1.00 0.00 C ATOM 396 O ALA A 27 0.569 7.624 8.050 1.00 0.00 O ATOM 397 CB ALA A 27 -1.030 5.142 9.884 1.00 0.00 C ATOM 0 H ALA A 27 -1.713 7.586 8.385 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.360 6.883 10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.205 4.530 10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.895 5.011 10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.288 4.835 8.870 1.00 0.00 H new ATOM 403 N ASP A 28 1.717 6.219 9.401 1.00 0.00 N ATOM 404 CA ASP A 28 2.967 6.365 8.675 1.00 0.00 C ATOM 405 C ASP A 28 3.673 5.009 8.608 1.00 0.00 C ATOM 406 O ASP A 28 3.746 4.293 9.605 1.00 0.00 O ATOM 407 CB ASP A 28 3.902 7.350 9.379 1.00 0.00 C ATOM 408 CG ASP A 28 4.405 6.896 10.751 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.403 6.144 10.769 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.780 7.311 11.751 1.00 0.00 O ATOM 0 H ASP A 28 1.761 5.592 10.204 1.00 0.00 H new ATOM 0 HA ASP A 28 2.736 6.738 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.763 7.534 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.382 8.301 9.496 1.00 0.00 H new ATOM 415 N TYR A 29 4.175 4.697 7.422 1.00 0.00 N ATOM 416 CA TYR A 29 4.872 3.440 7.211 1.00 0.00 C ATOM 417 C TYR A 29 6.264 3.678 6.621 1.00 0.00 C ATOM 418 O TYR A 29 6.612 4.806 6.277 1.00 0.00 O ATOM 419 CB TYR A 29 4.031 2.655 6.203 1.00 0.00 C ATOM 420 CG TYR A 29 2.779 2.014 6.803 1.00 0.00 C ATOM 421 CD1 TYR A 29 1.619 2.751 6.930 1.00 0.00 C ATOM 422 CD2 TYR A 29 2.808 0.698 7.218 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.440 2.148 7.495 1.00 0.00 C ATOM 424 CE2 TYR A 29 1.629 0.094 7.783 1.00 0.00 C ATOM 425 CZ TYR A 29 0.503 0.849 7.893 1.00 0.00 C ATOM 426 OH TYR A 29 -0.610 0.279 8.427 1.00 0.00 O ATOM 0 H TYR A 29 4.113 5.294 6.597 1.00 0.00 H new ATOM 0 HA TYR A 29 4.998 2.908 8.154 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.733 3.323 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.649 1.875 5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.596 3.781 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.715 0.121 7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.474 2.714 7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.639 -0.935 8.112 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.419 -0.652 8.665 1.00 0.00 H new ATOM 436 N GLU A 30 7.022 2.596 6.522 1.00 0.00 N ATOM 437 CA GLU A 30 8.368 2.672 5.979 1.00 0.00 C ATOM 438 C GLU A 30 8.326 2.645 4.450 1.00 0.00 C ATOM 439 O GLU A 30 8.834 3.553 3.795 1.00 0.00 O ATOM 440 CB GLU A 30 9.244 1.542 6.524 1.00 0.00 C ATOM 441 CG GLU A 30 9.547 1.751 8.009 1.00 0.00 C ATOM 442 CD GLU A 30 10.610 0.763 8.496 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.638 0.645 7.795 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.370 0.149 9.558 1.00 0.00 O ATOM 0 H GLU A 30 6.730 1.662 6.809 1.00 0.00 H new ATOM 0 HA GLU A 30 8.813 3.616 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.740 0.586 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.177 1.497 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.892 2.772 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.634 1.625 8.591 1.00 0.00 H new ATOM 451 N SER A 31 7.716 1.592 3.925 1.00 0.00 N ATOM 452 CA SER A 31 7.601 1.435 2.485 1.00 0.00 C ATOM 453 C SER A 31 6.129 1.472 2.071 1.00 0.00 C ATOM 454 O SER A 31 5.242 1.264 2.897 1.00 0.00 O ATOM 455 CB SER A 31 8.251 0.130 2.021 1.00 0.00 C ATOM 456 OG SER A 31 9.140 0.336 0.927 1.00 0.00 O ATOM 0 H SER A 31 7.296 0.840 4.471 1.00 0.00 H new ATOM 0 HA SER A 31 8.127 2.261 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.796 -0.319 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.475 -0.578 1.729 1.00 0.00 H new ATOM 0 HG SER A 31 9.536 -0.520 0.661 1.00 0.00 H new ATOM 462 N VAL A 32 5.914 1.737 0.790 1.00 0.00 N ATOM 463 CA VAL A 32 4.565 1.804 0.256 1.00 0.00 C ATOM 464 C VAL A 32 3.865 0.462 0.480 1.00 0.00 C ATOM 465 O VAL A 32 2.733 0.420 0.958 1.00 0.00 O ATOM 466 CB VAL A 32 4.605 2.219 -1.216 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.412 1.643 -1.981 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.661 3.742 -1.355 1.00 0.00 C ATOM 0 H VAL A 32 6.652 1.908 0.107 1.00 0.00 H new ATOM 0 HA VAL A 32 3.985 2.564 0.779 1.00 0.00 H new ATOM 0 HB VAL A 32 5.514 1.808 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.465 1.953 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.435 0.555 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.485 2.010 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.689 4.010 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.778 4.182 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.556 4.120 -0.861 1.00 0.00 H new ATOM 478 N ASN A 33 4.569 -0.603 0.123 1.00 0.00 N ATOM 479 CA ASN A 33 4.030 -1.943 0.279 1.00 0.00 C ATOM 480 C ASN A 33 3.448 -2.094 1.686 1.00 0.00 C ATOM 481 O ASN A 33 2.356 -2.634 1.855 1.00 0.00 O ATOM 482 CB ASN A 33 5.122 -3.000 0.103 1.00 0.00 C ATOM 483 CG ASN A 33 5.936 -2.742 -1.167 1.00 0.00 C ATOM 484 OD1 ASN A 33 5.413 -2.373 -2.206 1.00 0.00 O ATOM 485 ND2 ASN A 33 7.240 -2.956 -1.026 1.00 0.00 N ATOM 0 H ASN A 33 5.508 -0.564 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 33 3.262 -2.088 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.782 -2.993 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.670 -3.991 0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.869 -2.812 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.612 -3.264 -0.128 1.00 0.00 H new ATOM 492 N GLU A 34 4.203 -1.606 2.659 1.00 0.00 N ATOM 493 CA GLU A 34 3.776 -1.679 4.046 1.00 0.00 C ATOM 494 C GLU A 34 2.459 -0.924 4.236 1.00 0.00 C ATOM 495 O GLU A 34 1.559 -1.402 4.926 1.00 0.00 O ATOM 496 CB GLU A 34 4.858 -1.139 4.982 1.00 0.00 C ATOM 497 CG GLU A 34 6.209 -1.800 4.698 1.00 0.00 C ATOM 498 CD GLU A 34 6.084 -3.325 4.701 1.00 0.00 C ATOM 499 OE1 GLU A 34 6.119 -3.895 5.812 1.00 0.00 O ATOM 500 OE2 GLU A 34 5.957 -3.885 3.591 1.00 0.00 O ATOM 0 H GLU A 34 5.108 -1.158 2.514 1.00 0.00 H new ATOM 0 HA GLU A 34 3.612 -2.726 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.944 -0.059 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.571 -1.320 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.586 -1.464 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.935 -1.489 5.449 1.00 0.00 H new ATOM 507 N CYS A 35 2.387 0.243 3.613 1.00 0.00 N ATOM 508 CA CYS A 35 1.195 1.069 3.705 1.00 0.00 C ATOM 509 C CYS A 35 -0.003 0.237 3.243 1.00 0.00 C ATOM 510 O CYS A 35 -1.101 0.373 3.779 1.00 0.00 O ATOM 511 CB CYS A 35 1.339 2.361 2.898 1.00 0.00 C ATOM 512 SG CYS A 35 -0.300 3.146 2.678 1.00 0.00 S ATOM 0 H CYS A 35 3.135 0.636 3.042 1.00 0.00 H new ATOM 0 HA CYS A 35 1.043 1.379 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.014 3.046 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.782 2.145 1.926 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.167 4.243 1.993 1.00 0.00 H new ATOM 518 N MET A 36 0.250 -0.606 2.252 1.00 0.00 N ATOM 519 CA MET A 36 -0.794 -1.460 1.711 1.00 0.00 C ATOM 520 C MET A 36 -1.231 -2.508 2.737 1.00 0.00 C ATOM 521 O MET A 36 -2.425 -2.692 2.972 1.00 0.00 O ATOM 522 CB MET A 36 -0.280 -2.161 0.453 1.00 0.00 C ATOM 523 CG MET A 36 0.279 -1.148 -0.549 1.00 0.00 C ATOM 524 SD MET A 36 -0.990 0.018 -1.011 1.00 0.00 S ATOM 525 CE MET A 36 0.021 1.432 -1.417 1.00 0.00 C ATOM 0 H MET A 36 1.163 -0.716 1.810 1.00 0.00 H new ATOM 0 HA MET A 36 -1.655 -0.838 1.465 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.496 -2.877 0.723 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.089 -2.727 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.127 -0.621 -0.111 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.648 -1.666 -1.434 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.620 2.280 -1.660 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.651 1.686 -0.564 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.650 1.195 -2.275 1.00 0.00 H new ATOM 535 N GLU A 37 -0.241 -3.167 3.320 1.00 0.00 N ATOM 536 CA GLU A 37 -0.509 -4.192 4.315 1.00 0.00 C ATOM 537 C GLU A 37 -1.683 -3.776 5.203 1.00 0.00 C ATOM 538 O GLU A 37 -2.761 -4.364 5.129 1.00 0.00 O ATOM 539 CB GLU A 37 0.738 -4.480 5.154 1.00 0.00 C ATOM 540 CG GLU A 37 1.198 -5.927 4.973 1.00 0.00 C ATOM 541 CD GLU A 37 2.044 -6.387 6.162 1.00 0.00 C ATOM 542 OE1 GLU A 37 3.237 -6.015 6.189 1.00 0.00 O ATOM 543 OE2 GLU A 37 1.477 -7.101 7.018 1.00 0.00 O ATOM 0 H GLU A 37 0.748 -3.012 3.123 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.779 -5.112 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.540 -3.801 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.524 -4.291 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.330 -6.578 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.777 -6.016 4.054 1.00 0.00 H new ATOM 550 N GLY A 38 -1.435 -2.765 6.023 1.00 0.00 N ATOM 551 CA GLY A 38 -2.459 -2.263 6.924 1.00 0.00 C ATOM 552 C GLY A 38 -3.846 -2.356 6.285 1.00 0.00 C ATOM 553 O GLY A 38 -4.740 -3.005 6.825 1.00 0.00 O ATOM 0 H GLY A 38 -0.540 -2.280 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.443 -2.834 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.243 -1.227 7.184 1.00 0.00 H new ATOM 557 N VAL A 39 -3.981 -1.699 5.143 1.00 0.00 N ATOM 558 CA VAL A 39 -5.244 -1.699 4.424 1.00 0.00 C ATOM 559 C VAL A 39 -5.799 -3.124 4.378 1.00 0.00 C ATOM 560 O VAL A 39 -6.965 -3.350 4.698 1.00 0.00 O ATOM 561 CB VAL A 39 -5.055 -1.085 3.035 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.355 -1.141 2.230 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.533 0.349 3.135 1.00 0.00 C ATOM 0 H VAL A 39 -3.237 -1.163 4.697 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.978 -1.081 4.940 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.307 -1.676 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.194 -0.698 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.667 -2.179 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.132 -0.585 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.408 0.761 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.246 0.958 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.573 0.352 3.651 1.00 0.00 H new ATOM 573 N CYS A 40 -4.938 -4.048 3.977 1.00 0.00 N ATOM 574 CA CYS A 40 -5.328 -5.444 3.885 1.00 0.00 C ATOM 575 C CYS A 40 -5.730 -5.924 5.282 1.00 0.00 C ATOM 576 O CYS A 40 -6.722 -6.635 5.436 1.00 0.00 O ATOM 577 CB CYS A 40 -4.214 -6.304 3.285 1.00 0.00 C ATOM 578 SG CYS A 40 -4.802 -8.022 3.059 1.00 0.00 S ATOM 0 H CYS A 40 -3.972 -3.857 3.712 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.178 -5.543 3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.899 -5.890 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.342 -6.292 3.939 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.019 -8.126 3.505 1.00 0.00 H new ATOM 584 N LYS A 41 -4.938 -5.516 6.263 1.00 0.00 N ATOM 585 CA LYS A 41 -5.199 -5.895 7.641 1.00 0.00 C ATOM 586 C LYS A 41 -6.660 -5.593 7.981 1.00 0.00 C ATOM 587 O LYS A 41 -7.375 -6.458 8.485 1.00 0.00 O ATOM 588 CB LYS A 41 -4.198 -5.221 8.581 1.00 0.00 C ATOM 589 CG LYS A 41 -2.765 -5.400 8.074 1.00 0.00 C ATOM 590 CD LYS A 41 -1.752 -5.137 9.191 1.00 0.00 C ATOM 591 CE LYS A 41 -0.614 -6.158 9.150 1.00 0.00 C ATOM 592 NZ LYS A 41 0.597 -5.612 9.803 1.00 0.00 N ATOM 0 H LYS A 41 -4.116 -4.927 6.131 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.055 -6.967 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.429 -4.159 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.290 -5.645 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.635 -6.412 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.581 -4.718 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.346 -4.130 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.252 -5.183 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.922 -7.075 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.390 -6.420 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.360 -6.318 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.900 -4.749 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.384 -5.384 10.795 1.00 0.00 H new ATOM 606 N MET A 42 -7.060 -4.364 7.691 1.00 0.00 N ATOM 607 CA MET A 42 -8.423 -3.937 7.959 1.00 0.00 C ATOM 608 C MET A 42 -9.410 -5.085 7.739 1.00 0.00 C ATOM 609 O MET A 42 -9.962 -5.626 8.696 1.00 0.00 O ATOM 610 CB MET A 42 -8.783 -2.769 7.039 1.00 0.00 C ATOM 611 CG MET A 42 -7.860 -1.574 7.283 1.00 0.00 C ATOM 612 SD MET A 42 -8.724 -0.053 6.927 1.00 0.00 S ATOM 613 CE MET A 42 -8.368 0.105 5.184 1.00 0.00 C ATOM 0 H MET A 42 -6.464 -3.650 7.273 1.00 0.00 H new ATOM 0 HA MET A 42 -8.487 -3.622 9.001 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.708 -3.085 5.998 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.818 -2.474 7.208 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.518 -1.574 8.318 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.973 -1.654 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.189 0.626 4.691 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.446 0.671 5.051 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.252 -0.886 4.745 1.00 0.00 H new ATOM 623 N TYR A 43 -9.603 -5.422 6.472 1.00 0.00 N ATOM 624 CA TYR A 43 -10.515 -6.495 6.114 1.00 0.00 C ATOM 625 C TYR A 43 -10.182 -7.776 6.882 1.00 0.00 C ATOM 626 O TYR A 43 -11.076 -8.440 7.405 1.00 0.00 O ATOM 627 CB TYR A 43 -10.306 -6.743 4.619 1.00 0.00 C ATOM 628 CG TYR A 43 -11.384 -7.620 3.977 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.660 -7.125 3.799 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.081 -8.905 3.577 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.675 -7.950 3.196 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.095 -9.730 2.974 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.342 -9.212 2.813 1.00 0.00 C ATOM 634 OH TYR A 43 -14.300 -9.991 2.243 1.00 0.00 O ATOM 0 H TYR A 43 -9.143 -4.971 5.681 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.543 -6.222 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.277 -5.784 4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.334 -7.213 4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.897 -6.119 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.083 -9.292 3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.677 -7.575 3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.870 -10.738 2.657 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.845 -9.448 1.636 1.00 0.00 H new ATOM 644 N GLU A 44 -8.894 -8.084 6.927 1.00 0.00 N ATOM 645 CA GLU A 44 -8.433 -9.273 7.623 1.00 0.00 C ATOM 646 C GLU A 44 -8.983 -9.300 9.050 1.00 0.00 C ATOM 647 O GLU A 44 -9.456 -10.335 9.518 1.00 0.00 O ATOM 648 CB GLU A 44 -6.905 -9.351 7.622 1.00 0.00 C ATOM 649 CG GLU A 44 -6.376 -9.734 6.239 1.00 0.00 C ATOM 650 CD GLU A 44 -5.506 -10.990 6.314 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.890 -11.192 7.383 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.476 -11.721 5.300 1.00 0.00 O ATOM 0 H GLU A 44 -8.155 -7.531 6.493 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.809 -10.149 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.488 -8.389 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.574 -10.084 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.212 -9.906 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.795 -8.909 5.826 1.00 0.00 H new ATOM 659 N GLU A 45 -8.904 -8.149 9.702 1.00 0.00 N ATOM 660 CA GLU A 45 -9.388 -8.028 11.067 1.00 0.00 C ATOM 661 C GLU A 45 -10.812 -8.577 11.176 1.00 0.00 C ATOM 662 O GLU A 45 -11.050 -9.563 11.872 1.00 0.00 O ATOM 663 CB GLU A 45 -9.322 -6.576 11.545 1.00 0.00 C ATOM 664 CG GLU A 45 -7.894 -6.033 11.453 1.00 0.00 C ATOM 665 CD GLU A 45 -7.167 -6.173 12.793 1.00 0.00 C ATOM 666 OE1 GLU A 45 -7.102 -7.319 13.286 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.694 -5.129 13.293 1.00 0.00 O ATOM 0 H GLU A 45 -8.512 -7.292 9.311 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.741 -8.619 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.989 -5.960 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.674 -6.512 12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.346 -6.571 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.918 -4.985 11.156 1.00 0.00 H new ATOM 674 N HIS A 46 -11.722 -7.914 10.478 1.00 0.00 N ATOM 675 CA HIS A 46 -13.117 -8.323 10.487 1.00 0.00 C ATOM 676 C HIS A 46 -13.220 -9.804 10.117 1.00 0.00 C ATOM 677 O HIS A 46 -14.220 -10.454 10.415 1.00 0.00 O ATOM 678 CB HIS A 46 -13.953 -7.424 9.574 1.00 0.00 C ATOM 679 CG HIS A 46 -15.155 -8.110 8.970 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.348 -8.270 9.653 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.335 -8.674 7.742 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.201 -8.904 8.862 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.571 -9.154 7.678 1.00 0.00 N ATOM 0 H HIS A 46 -11.521 -7.096 9.902 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.528 -8.205 11.490 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.290 -6.558 10.144 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.319 -7.050 8.770 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.597 -8.722 6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.216 -9.175 9.111 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.982 -9.631 6.876 1.00 0.00 H new ATOM 691 N LEU A 47 -12.171 -10.294 9.472 1.00 0.00 N ATOM 692 CA LEU A 47 -12.131 -11.686 9.058 1.00 0.00 C ATOM 693 C LEU A 47 -11.662 -12.549 10.231 1.00 0.00 C ATOM 694 O LEU A 47 -12.267 -13.577 10.531 1.00 0.00 O ATOM 695 CB LEU A 47 -11.278 -11.845 7.798 1.00 0.00 C ATOM 696 CG LEU A 47 -12.046 -11.980 6.481 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.999 -10.800 6.279 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.086 -12.151 5.302 1.00 0.00 C ATOM 0 H LEU A 47 -11.343 -9.752 9.226 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.128 -12.032 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.614 -10.984 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.646 -12.725 7.919 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.657 -12.881 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.532 -10.920 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.716 -10.767 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.429 -9.871 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.657 -12.245 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.431 -11.282 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.485 -13.048 5.449 1.00 0.00 H new ATOM 710 N LYS A 48 -10.587 -12.100 10.863 1.00 0.00 N ATOM 711 CA LYS A 48 -10.030 -12.818 11.996 1.00 0.00 C ATOM 712 C LYS A 48 -11.170 -13.375 12.851 1.00 0.00 C ATOM 713 O LYS A 48 -11.284 -14.587 13.026 1.00 0.00 O ATOM 714 CB LYS A 48 -9.059 -11.926 12.771 1.00 0.00 C ATOM 715 CG LYS A 48 -7.806 -12.704 13.180 1.00 0.00 C ATOM 716 CD LYS A 48 -6.537 -11.937 12.803 1.00 0.00 C ATOM 717 CE LYS A 48 -6.083 -12.291 11.385 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.607 -12.248 11.288 1.00 0.00 N ATOM 0 H LYS A 48 -10.087 -11.247 10.611 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.441 -13.669 11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.776 -11.071 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.552 -11.531 13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.820 -12.884 14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.804 -13.679 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.722 -10.865 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.743 -12.170 13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.442 -13.285 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.521 -11.593 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.316 -12.491 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.271 -11.292 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.195 -12.932 11.955 1.00 0.00 H new ATOM 732 N ARG A 49 -11.984 -12.463 13.362 1.00 0.00 N ATOM 733 CA ARG A 49 -13.110 -12.848 14.195 1.00 0.00 C ATOM 734 C ARG A 49 -13.918 -13.957 13.517 1.00 0.00 C ATOM 735 O ARG A 49 -14.377 -14.888 14.177 1.00 0.00 O ATOM 736 CB ARG A 49 -14.027 -11.654 14.468 1.00 0.00 C ATOM 737 CG ARG A 49 -14.226 -10.815 13.204 1.00 0.00 C ATOM 738 CD ARG A 49 -15.706 -10.737 12.825 1.00 0.00 C ATOM 739 NE ARG A 49 -16.228 -9.380 13.099 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.525 -9.047 13.037 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.439 -9.971 12.712 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.907 -7.790 13.302 1.00 0.00 N ATOM 0 H ARG A 49 -11.886 -11.458 13.215 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.712 -13.211 15.143 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.992 -12.008 14.830 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.599 -11.035 15.256 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.835 -9.810 13.365 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.659 -11.250 12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.833 -10.978 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.274 -11.475 13.391 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.559 -8.652 13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.148 -10.928 12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.426 -9.718 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.211 -7.087 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.894 -7.536 13.255 1.00 0.00 H new ATOM 756 N MET A 50 -14.066 -13.821 12.207 1.00 0.00 N ATOM 757 CA MET A 50 -14.810 -14.799 11.432 1.00 0.00 C ATOM 758 C MET A 50 -14.013 -16.096 11.277 1.00 0.00 C ATOM 759 O MET A 50 -14.569 -17.188 11.390 1.00 0.00 O ATOM 760 CB MET A 50 -15.124 -14.224 10.050 1.00 0.00 C ATOM 761 CG MET A 50 -16.064 -13.022 10.156 1.00 0.00 C ATOM 762 SD MET A 50 -17.558 -13.332 9.229 1.00 0.00 S ATOM 763 CE MET A 50 -16.855 -13.763 7.645 1.00 0.00 C ATOM 0 H MET A 50 -13.683 -13.048 11.663 1.00 0.00 H new ATOM 0 HA MET A 50 -15.737 -15.025 11.960 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.199 -13.924 9.558 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.581 -14.993 9.427 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.308 -12.831 11.201 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.569 -12.128 9.776 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.536 -13.460 6.850 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.901 -13.252 7.519 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.698 -14.841 7.598 1.00 0.00 H new ATOM 773 N ASN A 51 -12.723 -15.934 11.022 1.00 0.00 N ATOM 774 CA ASN A 51 -11.844 -17.078 10.850 1.00 0.00 C ATOM 775 C ASN A 51 -10.834 -17.116 11.999 1.00 0.00 C ATOM 776 O ASN A 51 -9.915 -16.300 12.050 1.00 0.00 O ATOM 777 CB ASN A 51 -11.064 -16.981 9.538 1.00 0.00 C ATOM 778 CG ASN A 51 -12.009 -16.779 8.352 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.204 -17.653 7.524 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.583 -15.579 8.316 1.00 0.00 N ATOM 0 H ASN A 51 -12.265 -15.027 10.930 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.459 -17.978 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.358 -16.152 9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.479 -17.889 9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.230 -15.346 7.563 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.376 -14.893 9.042 1.00 0.00 H new ATOM 787 N PRO A 52 -11.043 -18.099 12.916 1.00 0.00 N ATOM 788 CA PRO A 52 -10.162 -18.255 14.060 1.00 0.00 C ATOM 789 C PRO A 52 -8.829 -18.879 13.645 1.00 0.00 C ATOM 790 O PRO A 52 -7.823 -18.181 13.525 1.00 0.00 O ATOM 791 CB PRO A 52 -10.940 -19.115 15.042 1.00 0.00 C ATOM 792 CG PRO A 52 -12.031 -19.793 14.228 1.00 0.00 C ATOM 793 CD PRO A 52 -12.121 -19.084 12.887 1.00 0.00 C ATOM 0 HA PRO A 52 -9.890 -17.302 14.514 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.291 -19.852 15.516 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.368 -18.508 15.840 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.801 -20.849 14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.986 -19.742 14.752 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.997 -19.783 12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.092 -18.605 12.756 1.00 0.00 H new ATOM 801 N ASN A 53 -8.864 -20.187 13.436 1.00 0.00 N ATOM 802 CA ASN A 53 -7.670 -20.913 13.036 1.00 0.00 C ATOM 803 C ASN A 53 -6.866 -20.062 12.051 1.00 0.00 C ATOM 804 O ASN A 53 -5.637 -20.063 12.085 1.00 0.00 O ATOM 805 CB ASN A 53 -8.032 -22.227 12.340 1.00 0.00 C ATOM 806 CG ASN A 53 -9.443 -22.165 11.752 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.408 -21.830 12.419 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.509 -22.506 10.468 1.00 0.00 N ATOM 0 H ASN A 53 -9.700 -20.763 13.536 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.090 -21.128 13.933 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.313 -22.433 11.547 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.967 -23.050 13.052 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.406 -22.497 9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.662 -22.777 9.968 1.00 0.00 H new ATOM 815 N SER A 54 -7.594 -19.357 11.198 1.00 0.00 N ATOM 816 CA SER A 54 -6.964 -18.503 10.205 1.00 0.00 C ATOM 817 C SER A 54 -5.712 -17.850 10.795 1.00 0.00 C ATOM 818 O SER A 54 -5.802 -16.834 11.482 1.00 0.00 O ATOM 819 CB SER A 54 -7.935 -17.432 9.704 1.00 0.00 C ATOM 820 OG SER A 54 -8.502 -17.774 8.442 1.00 0.00 O ATOM 0 H SER A 54 -8.614 -19.359 11.174 1.00 0.00 H new ATOM 0 HA SER A 54 -6.677 -19.121 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.732 -17.295 10.435 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.412 -16.479 9.620 1.00 0.00 H new ATOM 0 HG SER A 54 -8.824 -18.699 8.468 1.00 0.00 H new ATOM 826 N PRO A 55 -4.542 -18.477 10.497 1.00 0.00 N ATOM 827 CA PRO A 55 -3.274 -17.969 10.990 1.00 0.00 C ATOM 828 C PRO A 55 -2.844 -16.723 10.213 1.00 0.00 C ATOM 829 O PRO A 55 -2.331 -15.769 10.797 1.00 0.00 O ATOM 830 CB PRO A 55 -2.301 -19.127 10.841 1.00 0.00 C ATOM 831 CG PRO A 55 -2.939 -20.083 9.846 1.00 0.00 C ATOM 832 CD PRO A 55 -4.397 -19.683 9.686 1.00 0.00 C ATOM 0 HA PRO A 55 -3.327 -17.642 12.029 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.332 -18.779 10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.129 -19.618 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.423 -20.037 8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.862 -21.111 10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.642 -19.490 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.064 -20.474 10.029 1.00 0.00 H new ATOM 840 N SER A 56 -3.068 -16.771 8.908 1.00 0.00 N ATOM 841 CA SER A 56 -2.710 -15.658 8.045 1.00 0.00 C ATOM 842 C SER A 56 -3.933 -15.199 7.249 1.00 0.00 C ATOM 843 O SER A 56 -3.845 -14.266 6.452 1.00 0.00 O ATOM 844 CB SER A 56 -1.573 -16.041 7.096 1.00 0.00 C ATOM 845 OG SER A 56 -0.349 -16.261 7.792 1.00 0.00 O ATOM 0 H SER A 56 -3.493 -17.564 8.427 1.00 0.00 H new ATOM 0 HA SER A 56 -2.363 -14.837 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.846 -16.943 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.434 -15.250 6.359 1.00 0.00 H new ATOM 0 HG SER A 56 0.352 -16.505 7.152 1.00 0.00 H new ATOM 851 N ILE A 57 -5.046 -15.875 7.493 1.00 0.00 N ATOM 852 CA ILE A 57 -6.286 -15.548 6.808 1.00 0.00 C ATOM 853 C ILE A 57 -6.155 -15.905 5.327 1.00 0.00 C ATOM 854 O ILE A 57 -5.057 -16.182 4.846 1.00 0.00 O ATOM 855 CB ILE A 57 -6.666 -14.087 7.058 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.825 -13.810 8.554 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.919 -13.704 6.268 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.234 -13.306 8.872 1.00 0.00 C ATOM 0 H ILE A 57 -5.115 -16.648 8.155 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.110 -16.140 7.207 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.853 -13.456 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.624 -14.720 9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.090 -13.070 8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.168 -12.661 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.733 -13.839 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.750 -14.339 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.320 -13.117 9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.422 -12.383 8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.965 -14.059 8.577 1.00 0.00 H new ATOM 870 N THR A 58 -7.290 -15.887 4.644 1.00 0.00 N ATOM 871 CA THR A 58 -7.316 -16.205 3.226 1.00 0.00 C ATOM 872 C THR A 58 -8.703 -15.928 2.642 1.00 0.00 C ATOM 873 O THR A 58 -9.714 -16.316 3.225 1.00 0.00 O ATOM 874 CB THR A 58 -6.866 -17.658 3.059 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.179 -17.667 1.811 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.041 -18.614 2.845 1.00 0.00 C ATOM 0 H THR A 58 -8.199 -15.657 5.046 1.00 0.00 H new ATOM 0 HA THR A 58 -6.629 -15.570 2.666 1.00 0.00 H new ATOM 0 HB THR A 58 -6.303 -17.967 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.851 -18.572 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.666 -19.631 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.710 -18.567 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.585 -18.326 1.946 1.00 0.00 H new ATOM 884 N TYR A 59 -8.705 -15.258 1.499 1.00 0.00 N ATOM 885 CA TYR A 59 -9.951 -14.925 0.830 1.00 0.00 C ATOM 886 C TYR A 59 -9.690 -14.383 -0.577 1.00 0.00 C ATOM 887 O TYR A 59 -8.555 -14.395 -1.049 1.00 0.00 O ATOM 888 CB TYR A 59 -10.602 -13.827 1.674 1.00 0.00 C ATOM 889 CG TYR A 59 -9.634 -12.730 2.121 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.265 -11.733 1.240 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.129 -12.736 3.406 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.354 -10.701 1.661 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.218 -11.704 3.827 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.875 -10.737 2.933 1.00 0.00 C ATOM 895 OH TYR A 59 -7.015 -9.762 3.331 1.00 0.00 O ATOM 0 H TYR A 59 -7.864 -14.937 1.019 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.583 -15.808 0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.410 -13.373 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.053 -14.281 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.660 -11.727 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.418 -13.515 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.058 -9.916 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.816 -11.697 4.829 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.359 -9.596 2.623 1.00 0.00 H new ATOM 905 N ASP A 60 -10.761 -13.921 -1.206 1.00 0.00 N ATOM 906 CA ASP A 60 -10.662 -13.376 -2.550 1.00 0.00 C ATOM 907 C ASP A 60 -10.201 -11.919 -2.472 1.00 0.00 C ATOM 908 O ASP A 60 -10.871 -11.084 -1.866 1.00 0.00 O ATOM 909 CB ASP A 60 -12.018 -13.406 -3.257 1.00 0.00 C ATOM 910 CG ASP A 60 -12.536 -14.803 -3.602 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.763 -15.763 -3.394 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.695 -14.880 -4.067 1.00 0.00 O ATOM 0 H ASP A 60 -11.701 -13.913 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.950 -13.983 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.752 -12.909 -2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.945 -12.825 -4.176 1.00 0.00 H new ATOM 917 N ILE A 61 -9.060 -11.659 -3.093 1.00 0.00 N ATOM 918 CA ILE A 61 -8.502 -10.317 -3.102 1.00 0.00 C ATOM 919 C ILE A 61 -9.612 -9.310 -3.412 1.00 0.00 C ATOM 920 O ILE A 61 -9.636 -8.216 -2.850 1.00 0.00 O ATOM 921 CB ILE A 61 -7.314 -10.237 -4.062 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.053 -9.763 -3.336 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.643 -9.359 -5.271 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.936 -9.440 -4.331 1.00 0.00 C ATOM 0 H ILE A 61 -8.507 -12.355 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.105 -10.063 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.112 -11.240 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.282 -8.879 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.716 -10.534 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.781 -9.319 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.495 -9.779 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.887 -8.352 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.051 -9.106 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.693 -10.333 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.267 -8.651 -5.007 1.00 0.00 H new ATOM 936 N SER A 62 -10.503 -9.715 -4.304 1.00 0.00 N ATOM 937 CA SER A 62 -11.612 -8.862 -4.695 1.00 0.00 C ATOM 938 C SER A 62 -12.572 -8.679 -3.518 1.00 0.00 C ATOM 939 O SER A 62 -13.053 -7.574 -3.271 1.00 0.00 O ATOM 940 CB SER A 62 -12.355 -9.442 -5.900 1.00 0.00 C ATOM 941 OG SER A 62 -12.223 -8.619 -7.056 1.00 0.00 O ATOM 0 H SER A 62 -10.480 -10.623 -4.768 1.00 0.00 H new ATOM 0 HA SER A 62 -11.211 -7.890 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.970 -10.438 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.411 -9.555 -5.654 1.00 0.00 H new ATOM 0 HG SER A 62 -12.710 -9.025 -7.804 1.00 0.00 H new ATOM 947 N GLN A 63 -12.821 -9.778 -2.822 1.00 0.00 N ATOM 948 CA GLN A 63 -13.715 -9.753 -1.677 1.00 0.00 C ATOM 949 C GLN A 63 -13.217 -8.746 -0.638 1.00 0.00 C ATOM 950 O GLN A 63 -14.016 -8.067 0.006 1.00 0.00 O ATOM 951 CB GLN A 63 -13.860 -11.147 -1.063 1.00 0.00 C ATOM 952 CG GLN A 63 -14.869 -11.988 -1.847 1.00 0.00 C ATOM 953 CD GLN A 63 -16.277 -11.834 -1.268 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.757 -10.741 -1.017 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.911 -12.987 -1.071 1.00 0.00 N ATOM 0 H GLN A 63 -12.419 -10.692 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.701 -9.438 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.892 -11.648 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.182 -11.060 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.867 -11.683 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.573 -13.037 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.452 -13.868 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.856 -12.990 -0.688 1.00 0.00 H new ATOM 964 N LEU A 64 -11.900 -8.680 -0.508 1.00 0.00 N ATOM 965 CA LEU A 64 -11.287 -7.767 0.442 1.00 0.00 C ATOM 966 C LEU A 64 -11.704 -6.334 0.107 1.00 0.00 C ATOM 967 O LEU A 64 -12.132 -5.587 0.986 1.00 0.00 O ATOM 968 CB LEU A 64 -9.771 -7.973 0.481 1.00 0.00 C ATOM 969 CG LEU A 64 -8.924 -6.703 0.576 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.425 -5.792 1.699 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.441 -7.044 0.733 1.00 0.00 C ATOM 0 H LEU A 64 -11.241 -9.244 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.640 -7.974 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.533 -8.609 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.475 -8.517 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.030 -6.151 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.805 -4.896 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.459 -5.508 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.368 -6.322 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.861 -6.123 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.296 -7.629 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.108 -7.623 -0.128 1.00 0.00 H new ATOM 983 N PHE A 65 -11.565 -5.993 -1.166 1.00 0.00 N ATOM 984 CA PHE A 65 -11.922 -4.662 -1.627 1.00 0.00 C ATOM 985 C PHE A 65 -13.430 -4.430 -1.518 1.00 0.00 C ATOM 986 O PHE A 65 -13.887 -3.288 -1.503 1.00 0.00 O ATOM 987 CB PHE A 65 -11.509 -4.573 -3.098 1.00 0.00 C ATOM 988 CG PHE A 65 -10.009 -4.761 -3.336 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.140 -4.676 -2.294 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.546 -5.012 -4.590 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.748 -4.851 -2.515 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.154 -5.187 -4.810 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.284 -5.102 -3.768 1.00 0.00 C ATOM 0 H PHE A 65 -11.210 -6.615 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.421 -3.910 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.054 -5.329 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.810 -3.602 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.508 -4.475 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.236 -5.078 -5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.058 -4.785 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.786 -5.388 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.225 -5.234 -3.936 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.162 -5.532 -1.445 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.609 -5.463 -1.337 1.00 0.00 C ATOM 1005 C ASP A 66 -15.987 -4.561 -0.161 1.00 0.00 C ATOM 1006 O ASP A 66 -17.105 -4.052 -0.099 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.209 -6.848 -1.083 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.612 -7.060 -1.656 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.221 -6.045 -2.057 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.043 -8.233 -1.681 1.00 0.00 O ATOM 0 H ASP A 66 -13.780 -6.478 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.998 -5.068 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.543 -7.599 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.242 -7.021 -0.007 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.033 -4.391 0.743 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.252 -3.559 1.914 1.00 0.00 C ATOM 1017 C PHE A 67 -14.731 -2.139 1.682 1.00 0.00 C ATOM 1018 O PHE A 67 -15.340 -1.169 2.133 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.471 -4.194 3.066 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.531 -3.227 3.788 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.040 -2.263 4.601 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.186 -3.332 3.617 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.167 -1.366 5.272 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.313 -2.434 4.287 1.00 0.00 C ATOM 1025 CZ PHE A 67 -11.822 -1.471 5.101 1.00 0.00 C ATOM 0 H PHE A 67 -14.107 -4.815 0.688 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.318 -3.495 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.177 -4.605 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.888 -5.030 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.108 -2.180 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.782 -4.098 2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.571 -0.601 5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.245 -2.516 4.150 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.158 -0.789 5.612 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.610 -2.061 0.980 1.00 0.00 N ATOM 1036 CA ILE A 68 -13.000 -0.776 0.684 1.00 0.00 C ATOM 1037 C ILE A 68 -14.057 0.161 0.095 1.00 0.00 C ATOM 1038 O ILE A 68 -14.263 1.264 0.599 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.773 -0.959 -0.212 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.545 -1.347 0.614 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.523 0.289 -1.061 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.510 -2.070 -0.250 1.00 0.00 C ATOM 0 H ILE A 68 -13.108 -2.867 0.608 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.632 -0.309 1.598 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.971 -1.781 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.099 -0.454 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.847 -1.990 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.646 0.132 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.391 0.480 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.354 1.145 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.647 -2.335 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.952 -2.976 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.193 -1.415 -1.062 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.698 -0.312 -0.963 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.728 0.470 -1.625 1.00 0.00 C ATOM 1056 C ASP A 69 -16.702 1.014 -0.578 1.00 0.00 C ATOM 1057 O ASP A 69 -17.219 2.121 -0.722 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.525 -0.389 -2.610 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.222 -0.129 -4.087 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -16.300 1.054 -4.482 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -15.920 -1.120 -4.787 1.00 0.00 O ATOM 0 H ASP A 69 -14.524 -1.227 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.240 1.280 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.329 -1.439 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.588 -0.221 -2.438 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.922 0.211 0.452 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.825 0.599 1.523 1.00 0.00 C ATOM 1068 C ASP A 70 -17.364 1.932 2.116 1.00 0.00 C ATOM 1069 O ASP A 70 -18.181 2.808 2.393 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.827 -0.442 2.645 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.095 -0.467 3.501 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.139 -0.019 2.982 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.990 -0.934 4.656 1.00 0.00 O ATOM 0 H ASP A 70 -16.491 -0.706 0.568 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.828 0.682 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.684 -1.429 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.972 -0.256 3.295 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.055 2.043 2.292 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.475 3.255 2.846 1.00 0.00 C ATOM 1080 C LEU A 71 -16.073 4.472 2.137 1.00 0.00 C ATOM 1081 O LEU A 71 -16.630 4.348 1.047 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.948 3.195 2.784 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.282 2.132 3.659 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.778 2.058 3.384 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.582 2.374 5.140 1.00 0.00 C ATOM 0 H LEU A 71 -15.380 1.314 2.061 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.724 3.348 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.653 3.022 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.554 4.171 3.069 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.705 1.162 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.329 1.294 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.612 1.803 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.321 3.024 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.097 1.604 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.204 3.354 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.659 2.337 5.304 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.937 5.620 2.784 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.456 6.858 2.229 1.00 0.00 C ATOM 1099 C ALA A 72 -15.512 7.356 1.133 1.00 0.00 C ATOM 1100 O ALA A 72 -15.956 7.924 0.136 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.640 7.883 3.350 1.00 0.00 C ATOM 0 H ALA A 72 -15.475 5.719 3.688 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.433 6.694 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -17.029 8.812 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.342 7.494 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.680 8.075 3.829 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.226 7.125 1.354 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.215 7.544 0.398 1.00 0.00 C ATOM 1109 C ASP A 73 -11.828 7.374 1.021 1.00 0.00 C ATOM 1110 O ASP A 73 -11.444 8.138 1.906 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.388 9.017 0.022 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.174 9.659 -0.653 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.296 10.138 0.096 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.153 9.656 -1.903 1.00 0.00 O ATOM 0 H ASP A 73 -13.861 6.653 2.181 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.322 6.929 -0.496 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.246 9.108 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.624 9.581 0.924 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.115 6.369 0.536 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.779 6.090 1.035 1.00 0.00 C ATOM 1121 C LEU A 74 -8.747 6.711 0.091 1.00 0.00 C ATOM 1122 O LEU A 74 -8.976 6.799 -1.114 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.590 4.587 1.248 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.145 4.085 1.242 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.412 4.508 2.516 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.091 2.571 1.025 1.00 0.00 C ATOM 0 H LEU A 74 -11.437 5.737 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.634 6.548 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.044 4.315 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.141 4.058 0.470 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.626 4.549 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.387 4.138 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.403 5.596 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.922 4.092 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.052 2.240 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.632 2.069 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.550 2.324 0.068 1.00 0.00 H new ATOM 1138 N SER A 75 -7.633 7.126 0.676 1.00 0.00 N ATOM 1139 CA SER A 75 -6.565 7.736 -0.098 1.00 0.00 C ATOM 1140 C SER A 75 -5.207 7.362 0.499 1.00 0.00 C ATOM 1141 O SER A 75 -5.139 6.656 1.504 1.00 0.00 O ATOM 1142 CB SER A 75 -6.721 9.257 -0.148 1.00 0.00 C ATOM 1143 OG SER A 75 -8.079 9.649 -0.336 1.00 0.00 O ATOM 0 H SER A 75 -7.447 7.052 1.676 1.00 0.00 H new ATOM 0 HA SER A 75 -6.623 7.358 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.343 9.691 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.113 9.657 -0.959 1.00 0.00 H new ATOM 0 HG SER A 75 -8.137 10.627 -0.361 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.158 7.852 -0.146 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.805 7.578 0.309 1.00 0.00 C ATOM 1151 C CYS A 76 -1.883 8.666 -0.244 1.00 0.00 C ATOM 1152 O CYS A 76 -2.211 9.320 -1.233 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.344 6.177 -0.100 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.858 5.826 -1.821 1.00 0.00 S ATOM 0 H CYS A 76 -4.218 8.437 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.774 7.596 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.260 6.102 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.770 5.434 0.574 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.804 5.688 -2.569 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.746 8.826 0.419 1.00 0.00 N ATOM 1161 CA LEU A 77 0.226 9.824 0.006 1.00 0.00 C ATOM 1162 C LEU A 77 1.582 9.150 -0.210 1.00 0.00 C ATOM 1163 O LEU A 77 2.103 8.493 0.690 1.00 0.00 O ATOM 1164 CB LEU A 77 0.267 10.979 1.008 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.007 11.821 1.114 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.576 12.131 -0.271 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.038 11.142 2.018 1.00 0.00 C ATOM 0 H LEU A 77 -0.477 8.282 1.238 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.065 10.268 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.492 10.571 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.093 11.638 0.739 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.750 12.774 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.481 12.730 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.839 12.685 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.815 11.199 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.934 11.760 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.297 10.167 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.619 11.015 3.016 1.00 0.00 H new ATOM 1179 N VAL A 78 2.115 9.335 -1.409 1.00 0.00 N ATOM 1180 CA VAL A 78 3.400 8.752 -1.755 1.00 0.00 C ATOM 1181 C VAL A 78 4.438 9.867 -1.901 1.00 0.00 C ATOM 1182 O VAL A 78 4.188 10.870 -2.568 1.00 0.00 O ATOM 1183 CB VAL A 78 3.264 7.895 -3.015 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.638 7.496 -3.558 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.401 6.660 -2.747 1.00 0.00 C ATOM 0 H VAL A 78 1.680 9.881 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 78 3.744 8.088 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 78 2.764 8.495 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.513 6.887 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.206 8.393 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.175 6.923 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.320 6.068 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.861 6.058 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.407 6.973 -2.428 1.00 0.00 H new ATOM 1195 N TYR A 79 5.580 9.655 -1.264 1.00 0.00 N ATOM 1196 CA TYR A 79 6.657 10.629 -1.314 1.00 0.00 C ATOM 1197 C TYR A 79 7.665 10.277 -2.409 1.00 0.00 C ATOM 1198 O TYR A 79 8.309 9.230 -2.352 1.00 0.00 O ATOM 1199 CB TYR A 79 7.354 10.558 0.046 1.00 0.00 C ATOM 1200 CG TYR A 79 8.407 11.647 0.264 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.605 11.594 -0.418 1.00 0.00 C ATOM 1202 CD2 TYR A 79 8.158 12.682 1.142 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.596 12.618 -0.213 1.00 0.00 C ATOM 1204 CE2 TYR A 79 9.149 13.706 1.347 1.00 0.00 C ATOM 1205 CZ TYR A 79 10.319 13.624 0.659 1.00 0.00 C ATOM 1206 OH TYR A 79 11.255 14.591 0.853 1.00 0.00 O ATOM 0 H TYR A 79 5.783 8.823 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 79 6.265 11.623 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.602 10.631 0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.829 9.582 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.799 10.784 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.220 12.724 1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.538 12.588 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.967 14.521 2.032 1.00 0.00 H new ATOM 0 HH TYR A 79 10.920 15.245 1.501 1.00 0.00 H new ATOM 1216 N ARG A 80 7.772 11.170 -3.382 1.00 0.00 N ATOM 1217 CA ARG A 80 8.691 10.966 -4.488 1.00 0.00 C ATOM 1218 C ARG A 80 9.873 11.932 -4.381 1.00 0.00 C ATOM 1219 O ARG A 80 9.711 13.139 -4.556 1.00 0.00 O ATOM 1220 CB ARG A 80 7.990 11.176 -5.832 1.00 0.00 C ATOM 1221 CG ARG A 80 7.034 12.369 -5.772 1.00 0.00 C ATOM 1222 CD ARG A 80 6.905 13.038 -7.142 1.00 0.00 C ATOM 1223 NE ARG A 80 5.605 13.737 -7.243 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.269 14.557 -8.249 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.136 14.786 -9.245 1.00 0.00 N ATOM 1226 NH2 ARG A 80 4.067 15.149 -8.258 1.00 0.00 N ATOM 0 H ARG A 80 7.237 12.037 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 80 9.051 9.939 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.733 11.340 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.438 10.276 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.053 12.037 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.396 13.093 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.720 13.746 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.987 12.290 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 80 4.922 13.586 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.052 14.336 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.880 15.410 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.408 14.976 -7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.811 15.773 -9.023 1.00 0.00 H new ATOM 1240 N ALA A 81 11.035 11.365 -4.094 1.00 0.00 N ATOM 1241 CA ALA A 81 12.244 12.160 -3.962 1.00 0.00 C ATOM 1242 C ALA A 81 12.424 13.020 -5.215 1.00 0.00 C ATOM 1243 O ALA A 81 13.068 14.066 -5.167 1.00 0.00 O ATOM 1244 CB ALA A 81 13.438 11.237 -3.712 1.00 0.00 C ATOM 0 H ALA A 81 11.165 10.364 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 81 12.168 12.833 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.345 11.834 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.274 10.671 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.547 10.548 -4.549 1.00 0.00 H new ATOM 1250 N ASP A 82 11.842 12.546 -6.307 1.00 0.00 N ATOM 1251 CA ASP A 82 11.930 13.258 -7.571 1.00 0.00 C ATOM 1252 C ASP A 82 11.710 14.752 -7.326 1.00 0.00 C ATOM 1253 O ASP A 82 12.546 15.575 -7.696 1.00 0.00 O ATOM 1254 CB ASP A 82 10.857 12.776 -8.550 1.00 0.00 C ATOM 1255 CG ASP A 82 10.905 11.283 -8.880 1.00 0.00 C ATOM 1256 OD1 ASP A 82 11.921 10.654 -8.512 1.00 0.00 O ATOM 1257 OD2 ASP A 82 9.926 10.805 -9.493 1.00 0.00 O ATOM 0 H ASP A 82 11.308 11.678 -6.343 1.00 0.00 H new ATOM 0 HA ASP A 82 12.916 13.071 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.877 13.009 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.953 13.341 -9.477 1.00 0.00 H new ATOM 1262 N THR A 83 10.581 15.057 -6.703 1.00 0.00 N ATOM 1263 CA THR A 83 10.241 16.438 -6.404 1.00 0.00 C ATOM 1264 C THR A 83 9.902 16.595 -4.921 1.00 0.00 C ATOM 1265 O THR A 83 9.308 17.594 -4.518 1.00 0.00 O ATOM 1266 CB THR A 83 9.101 16.856 -7.335 1.00 0.00 C ATOM 1267 OG1 THR A 83 8.071 15.909 -7.070 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.440 16.635 -8.811 1.00 0.00 C ATOM 0 H THR A 83 9.890 14.372 -6.397 1.00 0.00 H new ATOM 0 HA THR A 83 11.087 17.101 -6.584 1.00 0.00 H new ATOM 0 HB THR A 83 8.865 17.907 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.227 16.228 -7.452 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.598 16.948 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.320 17.222 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.644 15.578 -8.983 1.00 0.00 H new ATOM 1276 N GLN A 84 10.295 15.592 -4.148 1.00 0.00 N ATOM 1277 CA GLN A 84 10.040 15.606 -2.717 1.00 0.00 C ATOM 1278 C GLN A 84 8.642 16.158 -2.432 1.00 0.00 C ATOM 1279 O GLN A 84 8.500 17.220 -1.828 1.00 0.00 O ATOM 1280 CB GLN A 84 11.109 16.414 -1.978 1.00 0.00 C ATOM 1281 CG GLN A 84 12.418 15.628 -1.878 1.00 0.00 C ATOM 1282 CD GLN A 84 13.555 16.364 -2.591 1.00 0.00 C ATOM 1283 OE1 GLN A 84 13.768 17.552 -2.413 1.00 0.00 O ATOM 1284 NE2 GLN A 84 14.270 15.594 -3.406 1.00 0.00 N ATOM 0 H GLN A 84 10.788 14.765 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 84 10.086 14.581 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.284 17.355 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.754 16.665 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.678 15.479 -0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.287 14.639 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.038 14.606 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.051 15.991 -3.928 1.00 0.00 H new ATOM 1293 N THR A 85 7.643 15.411 -2.881 1.00 0.00 N ATOM 1294 CA THR A 85 6.261 15.812 -2.682 1.00 0.00 C ATOM 1295 C THR A 85 5.381 14.586 -2.430 1.00 0.00 C ATOM 1296 O THR A 85 5.813 13.453 -2.640 1.00 0.00 O ATOM 1297 CB THR A 85 5.826 16.632 -3.898 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.433 16.849 -3.691 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.889 15.829 -5.199 1.00 0.00 C ATOM 0 H THR A 85 7.764 14.531 -3.382 1.00 0.00 H new ATOM 0 HA THR A 85 6.155 16.437 -1.796 1.00 0.00 H new ATOM 0 HB THR A 85 6.460 17.515 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.070 17.375 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.570 16.458 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.912 15.493 -5.370 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.230 14.964 -5.125 1.00 0.00 H new ATOM 1307 N TYR A 86 4.163 14.853 -1.984 1.00 0.00 N ATOM 1308 CA TYR A 86 3.218 13.785 -1.701 1.00 0.00 C ATOM 1309 C TYR A 86 2.145 13.701 -2.788 1.00 0.00 C ATOM 1310 O TYR A 86 1.396 14.653 -3.002 1.00 0.00 O ATOM 1311 CB TYR A 86 2.554 14.151 -0.372 1.00 0.00 C ATOM 1312 CG TYR A 86 1.549 15.300 -0.475 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.992 16.607 -0.468 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.199 15.030 -0.575 1.00 0.00 C ATOM 1315 CE1 TYR A 86 1.047 17.689 -0.564 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.746 16.112 -0.671 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.276 17.388 -0.661 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.169 18.409 -0.752 1.00 0.00 O ATOM 0 H TYR A 86 3.808 15.793 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 86 3.727 12.822 -1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.046 13.271 0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.328 14.422 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.048 16.818 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.148 14.007 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.381 18.716 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.805 15.915 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.077 18.045 -0.816 1.00 0.00 H new ATOM 1328 N GLN A 87 2.104 12.552 -3.447 1.00 0.00 N ATOM 1329 CA GLN A 87 1.135 12.330 -4.506 1.00 0.00 C ATOM 1330 C GLN A 87 -0.122 11.662 -3.945 1.00 0.00 C ATOM 1331 O GLN A 87 -0.080 10.508 -3.523 1.00 0.00 O ATOM 1332 CB GLN A 87 1.740 11.497 -5.637 1.00 0.00 C ATOM 1333 CG GLN A 87 2.406 12.393 -6.683 1.00 0.00 C ATOM 1334 CD GLN A 87 1.364 13.024 -7.608 1.00 0.00 C ATOM 1335 OE1 GLN A 87 1.293 14.231 -7.774 1.00 0.00 O ATOM 1336 NE2 GLN A 87 0.562 12.144 -8.200 1.00 0.00 N ATOM 0 H GLN A 87 2.727 11.765 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 87 0.853 13.297 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.473 10.802 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.961 10.898 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.977 13.176 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.113 11.808 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.675 11.147 -8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.167 12.466 -8.837 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.240 12.437 -3.959 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.506 11.933 -3.457 1.00 0.00 C ATOM 1347 C PRO A 88 -3.135 10.948 -4.444 1.00 0.00 C ATOM 1348 O PRO A 88 -3.567 11.340 -5.527 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.359 13.170 -3.227 1.00 0.00 C ATOM 1350 CG PRO A 88 -2.713 14.278 -4.042 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.327 13.809 -4.451 1.00 0.00 C ATOM 0 HA PRO A 88 -2.395 11.364 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.388 13.000 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.391 13.431 -2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.314 14.504 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.648 15.195 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.198 13.851 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.551 14.437 -4.013 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.166 9.688 -4.036 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.734 8.644 -4.871 1.00 0.00 C ATOM 1361 C TYR A 89 -5.039 8.112 -4.273 1.00 0.00 C ATOM 1362 O TYR A 89 -5.107 7.827 -3.079 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.702 7.515 -4.897 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.470 7.818 -5.752 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.516 7.632 -7.119 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.313 8.279 -5.157 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.356 7.917 -7.923 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.847 8.564 -5.962 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.768 8.369 -7.305 1.00 0.00 C ATOM 1370 OH TYR A 89 1.863 8.638 -8.065 1.00 0.00 O ATOM 0 H TYR A 89 -2.807 9.366 -3.137 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.958 9.029 -5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.381 7.306 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.179 6.610 -5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.422 7.273 -7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.277 8.426 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.378 7.775 -8.993 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.759 8.924 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 89 2.591 8.954 -7.490 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.041 7.995 -5.131 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.339 7.503 -4.703 1.00 0.00 C ATOM 1382 C ASN A 90 -7.168 6.135 -4.038 1.00 0.00 C ATOM 1383 O ASN A 90 -6.048 5.722 -3.741 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.285 7.334 -5.893 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.602 8.076 -5.657 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.041 8.272 -4.536 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.205 8.477 -6.773 1.00 0.00 N ATOM 0 H ASN A 90 -5.980 8.233 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.761 8.228 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.808 7.711 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.484 6.275 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.090 8.982 -6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.782 8.280 -7.680 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.294 5.471 -3.825 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.282 4.159 -3.201 1.00 0.00 C ATOM 1396 C LYS A 91 -8.114 3.087 -4.280 1.00 0.00 C ATOM 1397 O LYS A 91 -7.522 2.038 -4.031 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.527 3.967 -2.333 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.698 3.436 -3.162 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.015 4.082 -2.729 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.498 3.502 -1.398 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.831 4.043 -1.051 1.00 0.00 N ATOM 0 H LYS A 91 -9.221 5.817 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.432 4.067 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.306 3.272 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.803 4.916 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.521 3.637 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.766 2.354 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.882 5.160 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.773 3.922 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.546 2.415 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.785 3.742 -0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.723 4.820 -0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.296 4.399 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.412 3.290 -0.630 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.645 3.389 -5.456 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.561 2.465 -6.574 1.00 0.00 C ATOM 1418 C ASP A 92 -7.090 2.215 -6.915 1.00 0.00 C ATOM 1419 O ASP A 92 -6.743 1.164 -7.450 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.243 3.040 -7.817 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.065 2.036 -8.627 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -10.741 1.204 -7.982 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.000 2.122 -9.872 1.00 0.00 O ATOM 0 H ASP A 92 -9.135 4.260 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.060 1.540 -6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.896 3.857 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.480 3.469 -8.466 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.265 3.200 -6.591 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.840 3.101 -6.856 1.00 0.00 C ATOM 1430 C TRP A 93 -4.231 2.157 -5.817 1.00 0.00 C ATOM 1431 O TRP A 93 -3.275 1.440 -6.110 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.186 4.484 -6.863 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.663 4.451 -7.000 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.936 4.407 -8.125 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.702 4.461 -5.923 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.584 4.389 -7.854 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.437 4.423 -6.472 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.896 4.502 -4.531 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.733 4.421 -5.702 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.717 4.499 -3.776 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.564 4.461 -4.313 1.00 0.00 C ATOM 0 H TRP A 93 -6.557 4.071 -6.147 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.660 2.689 -7.849 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.602 5.067 -7.685 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.446 5.002 -5.940 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.356 4.388 -9.120 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.169 4.357 -8.541 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.877 4.533 -4.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.713 4.390 -6.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.810 4.528 -2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.425 4.462 -3.662 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.809 2.187 -4.625 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.335 1.343 -3.542 1.00 0.00 C ATOM 1454 C ILE A 94 -4.721 -0.110 -3.827 1.00 0.00 C ATOM 1455 O ILE A 94 -3.861 -0.988 -3.867 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.844 1.862 -2.196 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.387 3.302 -1.955 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.428 0.931 -1.056 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.334 4.025 -0.995 1.00 0.00 C ATOM 0 H ILE A 94 -5.601 2.783 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.247 1.378 -3.480 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.934 1.870 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.377 3.303 -1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.346 3.838 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.803 1.323 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.844 -0.062 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.341 0.867 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.986 5.046 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.338 4.044 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.354 3.501 -0.040 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.016 -0.318 -4.016 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.526 -1.650 -4.296 1.00 0.00 C ATOM 1473 C LYS A 95 -5.548 -2.384 -5.215 1.00 0.00 C ATOM 1474 O LYS A 95 -5.357 -3.592 -5.086 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.950 -1.572 -4.850 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.887 -0.878 -3.859 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.352 -1.111 -4.233 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.649 -0.587 -5.640 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.946 -1.108 -6.125 1.00 0.00 N ATOM 0 H LYS A 95 -6.727 0.413 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.597 -2.232 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.947 -1.029 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.317 -2.576 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.701 -1.254 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.678 0.192 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.579 -2.176 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.999 -0.612 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.669 0.503 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.853 -0.886 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.131 -0.742 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.915 -2.147 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.705 -0.801 -5.484 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.955 -1.623 -6.123 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.001 -2.186 -7.064 1.00 0.00 C ATOM 1495 C GLU A 96 -2.752 -2.673 -6.326 1.00 0.00 C ATOM 1496 O GLU A 96 -2.438 -3.862 -6.347 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.636 -1.170 -8.148 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.848 -0.843 -9.023 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.111 -1.960 -10.035 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.784 -2.937 -9.639 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.635 -1.812 -11.181 1.00 0.00 O ATOM 0 H GLU A 96 -5.117 -0.621 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.466 -3.041 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.261 -0.258 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.832 -1.567 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.727 -0.702 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.678 0.097 -9.549 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.073 -1.729 -5.691 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.866 -2.047 -4.948 1.00 0.00 C ATOM 1510 C LYS A 97 -1.130 -3.254 -4.045 1.00 0.00 C ATOM 1511 O LYS A 97 -0.551 -4.320 -4.243 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.360 -0.815 -4.195 1.00 0.00 C ATOM 1513 CG LYS A 97 0.850 -0.199 -4.901 1.00 0.00 C ATOM 1514 CD LYS A 97 0.548 0.063 -6.378 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.019 1.470 -6.580 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.300 1.967 -7.937 1.00 0.00 N ATOM 0 H LYS A 97 -2.336 -0.744 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.063 -2.328 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.158 -0.076 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.089 -1.093 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.125 0.735 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.706 -0.868 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.459 -0.054 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.165 -0.676 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.099 1.457 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.395 2.146 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.204 2.861 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.325 2.126 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.003 1.263 -8.643 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.006 -3.044 -3.073 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.355 -4.101 -2.139 1.00 0.00 C ATOM 1532 C ILE A 98 -2.449 -5.430 -2.892 1.00 0.00 C ATOM 1533 O ILE A 98 -1.896 -6.437 -2.453 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.626 -3.739 -1.370 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.080 -4.900 -0.482 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.732 -3.280 -2.323 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.202 -4.462 0.461 1.00 0.00 C ATOM 0 H ILE A 98 -2.484 -2.158 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.576 -4.215 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.399 -2.900 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.425 -5.726 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.235 -5.270 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.625 -3.029 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.396 -2.402 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.964 -4.082 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.506 -5.305 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.846 -3.653 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.054 -4.115 -0.124 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.155 -5.390 -4.013 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.329 -6.578 -4.831 1.00 0.00 C ATOM 1551 C TYR A 99 -1.985 -7.075 -5.369 1.00 0.00 C ATOM 1552 O TYR A 99 -1.517 -8.145 -4.986 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.211 -6.155 -6.007 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.845 -6.825 -7.332 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -4.227 -8.129 -7.575 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -3.132 -6.126 -8.285 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.882 -8.760 -8.823 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -2.787 -6.757 -9.533 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.179 -8.043 -9.740 1.00 0.00 C ATOM 1560 OH TYR A 99 -2.854 -8.639 -10.919 1.00 0.00 O ATOM 0 H TYR A 99 -3.613 -4.553 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.771 -7.385 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.250 -6.385 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -4.144 -5.074 -6.128 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -4.785 -8.676 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.833 -5.106 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.175 -9.780 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.230 -6.221 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.353 -8.008 -11.477 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.404 -6.273 -6.249 1.00 0.00 N ATOM 1571 CA VAL A 100 -0.124 -6.617 -6.844 1.00 0.00 C ATOM 1572 C VAL A 100 0.892 -6.891 -5.734 1.00 0.00 C ATOM 1573 O VAL A 100 1.912 -7.539 -5.966 1.00 0.00 O ATOM 1574 CB VAL A 100 0.322 -5.512 -7.803 1.00 0.00 C ATOM 1575 CG1 VAL A 100 0.452 -4.173 -7.074 1.00 0.00 C ATOM 1576 CG2 VAL A 100 1.631 -5.886 -8.501 1.00 0.00 C ATOM 0 H VAL A 100 -1.796 -5.386 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.211 -7.527 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.446 -5.403 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.770 -3.405 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.512 -3.896 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.190 -4.263 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.925 -5.083 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.411 -6.036 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.491 -6.805 -9.069 1.00 0.00 H new ATOM 1586 N LEU A 101 0.579 -6.384 -4.550 1.00 0.00 N ATOM 1587 CA LEU A 101 1.453 -6.566 -3.404 1.00 0.00 C ATOM 1588 C LEU A 101 1.422 -8.033 -2.972 1.00 0.00 C ATOM 1589 O LEU A 101 2.454 -8.602 -2.620 1.00 0.00 O ATOM 1590 CB LEU A 101 1.081 -5.588 -2.287 1.00 0.00 C ATOM 1591 CG LEU A 101 1.469 -6.011 -0.868 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.793 -5.371 -0.448 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.344 -5.704 0.122 1.00 0.00 C ATOM 0 H LEU A 101 -0.267 -5.848 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 101 2.484 -6.334 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.551 -4.628 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.003 -5.428 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 101 1.618 -7.091 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.045 -5.688 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.581 -5.683 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.697 -4.286 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.645 -6.014 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.140 -4.633 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.556 -6.245 -0.170 1.00 0.00 H new ATOM 1605 N LEU A 102 0.226 -8.604 -3.013 1.00 0.00 N ATOM 1606 CA LEU A 102 0.047 -9.994 -2.630 1.00 0.00 C ATOM 1607 C LEU A 102 0.534 -10.897 -3.764 1.00 0.00 C ATOM 1608 O LEU A 102 1.005 -12.007 -3.520 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.403 -10.253 -2.216 1.00 0.00 C ATOM 1610 CG LEU A 102 -1.874 -9.546 -0.944 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -0.693 -8.943 -0.182 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -2.944 -8.499 -1.264 1.00 0.00 C ATOM 0 H LEU A 102 -0.628 -8.129 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 102 0.651 -10.229 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.054 -9.952 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.535 -11.327 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.333 -10.288 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.056 -8.446 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.003 -9.734 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.183 -8.218 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.262 -8.011 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.532 -7.755 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.800 -8.985 -1.731 1.00 0.00 H new ATOM 1624 N ARG A 103 0.404 -10.388 -4.981 1.00 0.00 N ATOM 1625 CA ARG A 103 0.825 -11.136 -6.154 1.00 0.00 C ATOM 1626 C ARG A 103 2.344 -11.321 -6.148 1.00 0.00 C ATOM 1627 O ARG A 103 2.839 -12.426 -6.366 1.00 0.00 O ATOM 1628 CB ARG A 103 0.411 -10.420 -7.441 1.00 0.00 C ATOM 1629 CG ARG A 103 -1.075 -10.057 -7.412 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.931 -11.207 -7.946 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.384 -12.502 -7.484 1.00 0.00 N ATOM 1632 CZ ARG A 103 -0.550 -13.265 -8.203 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -0.163 -12.868 -9.423 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.104 -14.426 -7.703 1.00 0.00 N ATOM 0 H ARG A 103 0.013 -9.467 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 103 0.336 -12.110 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.007 -9.516 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.616 -11.060 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.375 -9.819 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.246 -9.163 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.960 -11.095 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.952 -11.180 -9.035 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.659 -12.835 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.503 -11.985 -9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 103 0.472 -13.449 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.400 -14.729 -6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.531 -15.007 -8.251 1.00 0.00 H new ATOM 1648 N ARG A 104 3.042 -10.223 -5.895 1.00 0.00 N ATOM 1649 CA ARG A 104 4.494 -10.251 -5.858 1.00 0.00 C ATOM 1650 C ARG A 104 4.979 -10.938 -4.579 1.00 0.00 C ATOM 1651 O ARG A 104 5.988 -11.641 -4.593 1.00 0.00 O ATOM 1652 CB ARG A 104 5.074 -8.837 -5.921 1.00 0.00 C ATOM 1653 CG ARG A 104 4.967 -8.140 -4.563 1.00 0.00 C ATOM 1654 CD ARG A 104 5.325 -6.657 -4.679 1.00 0.00 C ATOM 1655 NE ARG A 104 6.629 -6.399 -4.028 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.814 -6.545 -4.636 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.867 -6.947 -5.913 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.947 -6.288 -3.967 1.00 0.00 N ATOM 0 H ARG A 104 2.628 -9.308 -5.714 1.00 0.00 H new ATOM 0 HA ARG A 104 4.837 -10.811 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.118 -8.882 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.543 -8.256 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.954 -8.244 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.633 -8.624 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.369 -6.366 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.550 -6.050 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 104 6.625 -6.091 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.005 -7.142 -6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 104 8.769 -7.058 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.907 -5.981 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.849 -6.399 -4.430 1.00 0.00 H new ATOM 1672 N GLN A 105 4.238 -10.709 -3.505 1.00 0.00 N ATOM 1673 CA GLN A 105 4.579 -11.296 -2.221 1.00 0.00 C ATOM 1674 C GLN A 105 4.643 -12.821 -2.335 1.00 0.00 C ATOM 1675 O GLN A 105 5.352 -13.475 -1.572 1.00 0.00 O ATOM 1676 CB GLN A 105 3.585 -10.868 -1.140 1.00 0.00 C ATOM 1677 CG GLN A 105 4.065 -9.604 -0.424 1.00 0.00 C ATOM 1678 CD GLN A 105 4.138 -9.824 1.088 1.00 0.00 C ATOM 1679 OE1 GLN A 105 4.692 -10.796 1.574 1.00 0.00 O ATOM 1680 NE2 GLN A 105 3.549 -8.870 1.803 1.00 0.00 N ATOM 0 H GLN A 105 3.402 -10.124 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 105 5.563 -10.931 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.609 -10.687 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.459 -11.674 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.047 -9.319 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.388 -8.779 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.103 -8.082 1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.543 -8.926 2.821 1.00 0.00 H new ATOM 1689 N ALA A 106 3.891 -13.343 -3.293 1.00 0.00 N ATOM 1690 CA ALA A 106 3.853 -14.778 -3.516 1.00 0.00 C ATOM 1691 C ALA A 106 5.182 -15.231 -4.123 1.00 0.00 C ATOM 1692 O ALA A 106 5.930 -15.981 -3.499 1.00 0.00 O ATOM 1693 CB ALA A 106 2.657 -15.125 -4.406 1.00 0.00 C ATOM 0 H ALA A 106 3.303 -12.798 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 106 3.723 -15.309 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.628 -16.202 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.736 -14.809 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.754 -14.612 -5.363 1.00 0.00 H new ATOM 1699 N GLN A 107 5.435 -14.756 -5.334 1.00 0.00 N ATOM 1700 CA GLN A 107 6.661 -15.103 -6.033 1.00 0.00 C ATOM 1701 C GLN A 107 7.059 -13.982 -6.995 1.00 0.00 C ATOM 1702 O GLN A 107 7.875 -13.127 -6.655 1.00 0.00 O ATOM 1703 CB GLN A 107 6.513 -16.434 -6.772 1.00 0.00 C ATOM 1704 CG GLN A 107 6.325 -17.590 -5.787 1.00 0.00 C ATOM 1705 CD GLN A 107 6.803 -18.911 -6.395 1.00 0.00 C ATOM 1706 OE1 GLN A 107 6.505 -19.246 -7.529 1.00 0.00 O ATOM 1707 NE2 GLN A 107 7.559 -19.639 -5.578 1.00 0.00 N ATOM 0 H GLN A 107 4.812 -14.134 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 107 7.455 -15.221 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.660 -16.386 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.396 -16.614 -7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.879 -17.386 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.273 -17.671 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.770 -19.299 -4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.928 -20.538 -5.890 1.00 0.00 H new ATOM 1716 N GLN A 108 6.463 -14.023 -8.178 1.00 0.00 N ATOM 1717 CA GLN A 108 6.745 -13.021 -9.193 1.00 0.00 C ATOM 1718 C GLN A 108 8.198 -13.132 -9.659 1.00 0.00 C ATOM 1719 O GLN A 108 8.459 -13.480 -10.809 1.00 0.00 O ATOM 1720 CB GLN A 108 6.441 -11.614 -8.673 1.00 0.00 C ATOM 1721 CG GLN A 108 7.227 -10.560 -9.455 1.00 0.00 C ATOM 1722 CD GLN A 108 6.749 -10.484 -10.907 1.00 0.00 C ATOM 1723 OE1 GLN A 108 5.569 -10.574 -11.204 1.00 0.00 O ATOM 1724 NE2 GLN A 108 7.728 -10.314 -11.791 1.00 0.00 N ATOM 0 H GLN A 108 5.786 -14.734 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 108 6.095 -13.205 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.373 -11.414 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 108 6.694 -11.551 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.110 -9.587 -8.979 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.290 -10.801 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.695 -10.246 -11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.512 -10.251 -12.786 1.00 0.00 H new ATOM 1733 N ALA A 109 9.105 -12.830 -8.741 1.00 0.00 N ATOM 1734 CA ALA A 109 10.525 -12.891 -9.044 1.00 0.00 C ATOM 1735 C ALA A 109 11.285 -13.376 -7.808 1.00 0.00 C ATOM 1736 O ALA A 109 11.657 -12.576 -6.951 1.00 0.00 O ATOM 1737 CB ALA A 109 11.004 -11.520 -9.523 1.00 0.00 C ATOM 0 H ALA A 109 8.884 -12.543 -7.788 1.00 0.00 H new ATOM 0 HA ALA A 109 10.716 -13.602 -9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.069 -11.566 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.454 -11.235 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.831 -10.781 -8.741 1.00 0.00 H new ATOM 1743 N GLY A 110 11.492 -14.683 -7.755 1.00 0.00 N ATOM 1744 CA GLY A 110 12.202 -15.284 -6.638 1.00 0.00 C ATOM 1745 C GLY A 110 13.655 -15.585 -7.009 1.00 0.00 C ATOM 1746 O GLY A 110 14.112 -16.718 -6.871 1.00 0.00 O ATOM 0 H GLY A 110 11.181 -15.343 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.174 -14.612 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.702 -16.205 -6.338 1.00 0.00 H new ATOM 1750 N LYS A 111 14.340 -14.551 -7.474 1.00 0.00 N ATOM 1751 CA LYS A 111 15.732 -14.690 -7.866 1.00 0.00 C ATOM 1752 C LYS A 111 16.629 -14.406 -6.659 1.00 0.00 C ATOM 1753 O LYS A 111 17.135 -15.331 -6.026 1.00 0.00 O ATOM 1754 CB LYS A 111 16.038 -13.811 -9.080 1.00 0.00 C ATOM 1755 CG LYS A 111 16.023 -12.328 -8.701 1.00 0.00 C ATOM 1756 CD LYS A 111 16.317 -11.448 -9.917 1.00 0.00 C ATOM 1757 CE LYS A 111 17.699 -10.802 -9.805 1.00 0.00 C ATOM 1758 NZ LYS A 111 17.638 -9.591 -8.956 1.00 0.00 N ATOM 0 H LYS A 111 13.957 -13.613 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 111 15.937 -15.713 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.013 -14.076 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.303 -13.997 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.051 -12.065 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.764 -12.140 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.265 -12.048 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.555 -10.673 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 111 18.407 -11.515 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.066 -10.540 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.584 -9.165 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.978 -8.906 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.309 -9.850 -8.004 1.00 0.00 H new TER 1772 LYS A 111